A0A068B116_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A068B116, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 181 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
1S93.6Very high98.1Very high95 Ų9538.7 Ų38.766%0.66421%0.208SC*.  0144.5041.60000105.5V102S1-V102 WeakPolarHBondContact CA-O 3.32Å; S1-V102 VanDerWaalsContact CB-O 3.3Å; S1-V102 WeakPolarHBondContact CB-O 3.38Å
2H97.2Very high98.1Very high68 Ų6837.1 Ų37.132%0.31520%0.202SC..EExtended strand (participates in β ladder)trans-135.6162-176.3-64.2-78.2000109.5D28 D101 V102 L167 L171H2-D28 WeakPolarHBondContact CA-OD1 3.47Å; H2-D28 IonicContact CE1-OD2 3.47Å; H2-D28 IonicContact CG-OD2 2.91Å; H2-D28 IonicContact ND1-OD1 3.67Å; H2-D28 IonicContact ND1-OD2 3.77Å; H2-D28 PolarHBondContact ND1-OD2 2.81Å; H2-D101 CarbonylContact O-C 3.55Å; H2-D101 WeakPolarHBondContact O-CA 3.38Å; H2-V102 HydrophobicContact CB-CG2 4.04Å; H2-V102 PolarHBondContact N-O 3.4Å; H2-V102 VanDerWaalsContact N-O 3.09Å; H2-V102 PolarHBondContact O-N 3.43Å; H2-L167 HydrophobicContact CB-CD1 4.31Å; H2-L167 HydrophobicContact CB-CD2 4.4Å; H2-L171 HydrophobicContact CB-CD1 3.65Å; H2-L171 HydrophobicContact CB-CD2 4.01Å; H2-L171 HydrophobicContact CB-CG 4.4Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.47Å
3S98.3Very high97.9Very high24 Ų2439.2 Ų39.217%0.16821%0.205CC..EExtended strand (participates in β ladder)trans-134.9149.6177.6630000111.2V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.58Å; S3-V27 WeakPolarHBondContact O-CA 3.31Å; S3-D28 PolarHBondContact N-OD1 3.35Å; S3-D28 PolarHBondContact O-N 3.3Å; S3-C100 WeakPolarHBondContact CA-O 3.42Å; S3-D101 VanDerWaalsContact CB-OD1 3.29Å; S3-D101 WeakPolarHBondContact CB-OD1 3.4Å
4M98.7Very high97.4Very high1 Ų140.3 Ų40.31%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-121.7129.2165.5-170.6168.86300108Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.23Å; M4-Y6 HydrophobicContact CG-CE2 4.14Å; M4-Y6 HydrophobicContact SD-CE2 4.12Å; M4-Y26 CarbonylContact C-O 3.54Å; M4-Y26 VanDerWaalsContact CA-O 3.31Å; M4-Y26 WeakPolarHBondContact CA-O 3.35Å; M4-V27 HydrophobicContact CG-CG2 4.38Å; M4-F32 HydrophobicContact CG-CE1 4.46Å; M4-F32 HydrophobicContact SD-CZ 4.4Å; M4-G99 CarbonylContact O-C 3.56Å; M4-G99 WeakPolarHBondContact O-CA 3.41Å; M4-C100 PolarHBondContact N-O 3.37Å; M4-C100 PolarHBondContact O-N 3.43Å; M4-C163 HydrophobicContact CE-CB 4.19Å; M4-C163 WeakPolarHBondContact CE-O 3.41Å; M4-C163 VanDerWaalsContact CE-SG 3.53Å; M4-W166 HydrophobicContact CE-CB 4.1Å; M4-W166 HydrophobicContact SD-CB 4.4Å; M4-L167 HydrophobicContact CB-CB 4.09Å; M4-L167 HydrophobicContact CB-CD1 4.04Å; M4-L167 HydrophobicContact CB-CD2 4.14Å; M4-L167 HydrophobicContact CB-CG 4.3Å; M4-L167 HydrophobicContact CE-CB 4.49Å; M4-L167 HydrophobicContact SD-CB 4.42Å; M4-Y170 HydrophobicContact SD-CD2 3.7Å; M4-Y170 HydrophobicContact SD-CE2 3.52Å; M4-Y170 VanDerWaalsContact SD-CE2 3.52Å
5R98.7Very high97Very high56 Ų5643.5 Ų43.521%0.21126%0.263CS..EExtended strand (participates in β ladder)trans-135.7131.5-176.4-62.6-70-179.393.37.2110.4F7 G25 Y26 M97 Y98 D101 H112R5-F7 HydrophobicContact CB-CD2 4.44Å; R5-F7 HydrophobicContact CB-CE2 3.64Å; R5-F7 HydrophobicContact CB-CZ 4.03Å; R5-G25 CarbonylContact O-C 3.52Å; R5-G25 WeakPolarHBondContact O-CA 3.27Å; R5-Y26 PolarHBondContact N-O 3.48Å; R5-Y26 PolarHBondContact O-N 3.09Å; R5-M97 WeakPolarHBondContact CD-SD 3.41Å; R5-Y98 WeakPolarHBondContact CA-O 3.06Å; R5-D101 IonicContact CZ-OD1 2.77Å; R5-D101 IonicContact NE-OD1 3.59Å; R5-D101 PolarHBondContact NE-OD1 2.8Å; R5-D101 IonicContact NH2-OD1 3.68Å; R5-D101 PolarHBondContact NH2-OD1 3.11Å; R5-D101 IonicContact NH2-OD2 2.68Å; R5-D101 PolarHBondContact NH2-OD2 2.85Å; R5-H112 PolarHBondContact NH2-CE1 2.64Å; R5-H112 PolarHBondContact NH2-NE2 3.1Å
6Y98.8Very high96.7Very high11 Ų1154.3 Ų54.34%0.04330%0.297CS..EExtended strand (participates in β ladder)trans-109.5139.3167.8-72-91.9000109.4M4 Y8 V24 F32 V33 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.23Å; M4-Y6 HydrophobicContact CG-CE2 4.14Å; M4-Y6 HydrophobicContact SD-CE2 4.12Å; Y6-Y8 HydrophobicContact CD1-CE1 4.46Å; Y6-V24 CarbonylContact C-O 3.59Å; Y6-V24 WeakPolarHBondContact CA-O 3.19Å; Y6-F32 HydrophobicContact CE1-CZ 4.21Å; Y6-F32 HydrophobicContact CE2-CZ 4.47Å; Y6-F32 AromaticContact CZ-CZ 3.79Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.36Å; Y6-V33 HydrophobicContact CE1-CG2 3.95Å; Y6-M97 WeakPolarHBondContact O-CA 3.45Å; Y6-Y98 VanDerWaalsContact CB-CZ 3.44Å; Y6-Y98 AromaticContact CD2-CE2 3.83Å; Y6-Y98 HydrophobicContact CD2-CE2 3.83Å; Y6-Y98 AromaticContact CD2-CZ 3.95Å; Y6-Y98 HydrophobicContact CG-CE1 4.35Å; Y6-Y98 HydrophobicContact CG-CE2 4.15Å; Y6-Y98 AromaticContact CG-CZ 3.79Å; Y6-Y98 PolarHBondContact N-O 2.87Å; Y6-Y98 PolarHBondContact O-N 3.29Å; Y6-Y98 VanDerWaalsContact O-N 3.09Å
7F98.8Very high96.4Very high80 Ų8054.6 Ų54.635%0.35132%0.316SS..EExtended strand (participates in β ladder)trans-123.2118.2177-59.2-96.1000109.1R5 S23 V24 Y26 S96 M97R5-F7 HydrophobicContact CB-CD2 4.44Å; R5-F7 HydrophobicContact CB-CE2 3.64Å; R5-F7 HydrophobicContact CB-CZ 4.03Å; F7-S23 WeakPolarHBondContact O-CA 3.47Å; F7-V24 HydrophobicContact CB-CG2 3.82Å; F7-V24 HydrophobicContact CD2-CG2 4.26Å; F7-V24 HydrophobicContact CG-CG2 4.47Å; F7-V24 PolarHBondContact N-O 3.17Å; F7-V24 PolarHBondContact O-N 2.95Å; F7-Y26 AromaticContact CD2-CD2 3.98Å; F7-Y26 HydrophobicContact CD2-CD2 3.98Å; F7-Y26 HydrophobicContact CD2-CE2 4.39Å; F7-Y26 AromaticContact CE2-CD2 3.94Å; F7-Y26 HydrophobicContact CE2-CD2 3.94Å; F7-S96 WeakPolarHBondContact CA-O 3.33Å; F7-M97 HydrophobicContact CD1-CB 3.92Å; F7-M97 HydrophobicContact CD1-CG 3.72Å; F7-M97 HydrophobicContact CE1-CB 4Å; F7-M97 HydrophobicContact CE1-CG 3.37Å; F7-M97 HydrophobicContact CZ-CG 3.91Å
8Y98.8Very high96.3Very high10 Ų1056.8 Ų56.84%0.03932%0.323CS..EExtended strand (participates in β ladder)trans-105.4138.4175.1-62.5-11.4000109.3Y6 F21 I22 S23 N69 Y73 Q95 S96 Y98Y6-Y8 HydrophobicContact CD1-CE1 4.46Å; Y8-F21 HydrophobicContact CD1-CZ 4.07Å; Y8-F21 HydrophobicContact CD2-CE2 4.25Å; Y8-F21 AromaticContact CD2-CZ 3.9Å; Y8-F21 HydrophobicContact CD2-CZ 3.9Å; Y8-F21 HydrophobicContact CE2-CZ 4.35Å; Y8-F21 HydrophobicContact CG-CE2 4.09Å; Y8-F21 AromaticContact CG-CZ 3.73Å; Y8-F21 HydrophobicContact CG-CZ 3.73Å; Y8-I22 CarbonylContact C-O 3.54Å; Y8-I22 WeakPolarHBondContact CA-O 3.29Å; Y8-S23 WeakPolarHBondContact CE1-OG 3.49Å; Y8-N69 HydrophobicContact CE2-CB 4.42Å; Y8-N69 WeakPolarHBondContact CE2-ND2 3.44Å; Y8-N69 PolarHBondContact OH-ND2 3.31Å; Y8-Y73 AromaticContact CD2-CE2 3.89Å; Y8-Y73 HydrophobicContact CD2-CE2 3.89Å; Y8-Y73 AromaticContact CD2-CZ 3.86Å; Y8-Q95 CarbonylContact O-C 3.5Å; Y8-Q95 VanDerWaalsContact O-CA 3.23Å; Y8-Q95 WeakPolarHBondContact O-CA 3.36Å; Y8-S96 PolarHBondContact N-O 3.3Å; Y8-S96 PolarHBondContact O-N 2.91Å; Y8-Y98 HydrophobicContact CD1-CE1 4.47Å; Y8-Y98 HydrophobicContact CD2-CE1 4.09Å; Y8-Y98 AromaticContact CE1-CE1 4Å; Y8-Y98 HydrophobicContact CE1-CE1 4Å; Y8-Y98 AromaticContact CE2-CE1 3.58Å; Y8-Y98 HydrophobicContact CE2-CE1 3.58Å; Y8-Y98 AromaticContact CZ-CE1 3.57Å; Y8-Y98 AromaticContact CZ-CZ 3.87Å; Y8-Y98 VanDerWaalsContact CZ-OH 3.26Å; Y8-Y98 PolarHBondContact OH-OH 2.89Å
9T98.8Very high96.3Very high37 Ų3754.8 Ų54.823%0.22731%0.312CS..EExtended strand (participates in β ladder)trans-135.5124.1175-62.30000108.7V11 F21 I22 T93 Q95T9-V11 HydrophobicContact CG2-CG2 3.94Å; T9-F21 CarbonylContact O-C 3.57Å; T9-F21 WeakPolarHBondContact O-CA 3.34Å; T9-I22 PolarHBondContact N-O 2.73Å; T9-I22 PolarHBondContact O-N 3.23Å; T9-T93 HydrophobicContact CG2-CG2 4.08Å; T9-Q95 HydrophobicContact CG2-CG 4.04Å
10S98.7Very high96.4Very high1 Ų156.4 Ų56.41%0.00731%0.313CS..EExtended strand (participates in β ladder)trans-119.9125.8171.3-165.20000110.7R20 L77 T93 L94S10-R20 CarbonylContact C-O 3.59Å; S10-R20 WeakPolarHBondContact CA-O 3.39Å; S10-L77 WeakPolarHBondContact OG-CD1 3.31Å; S10-T93 CarbonylContact O-C 3.59Å; S10-T93 WeakPolarHBondContact O-CA 3.23Å; S10-L94 PolarHBondContact N-O 3.39Å; S10-L94 PolarHBondContact O-N 2.73Å
11V98.5Very high96.5Very high43 Ų4353.7 Ų53.726%0.26130%0.298SS..EExtended strand (participates in β ladder)trans-119.4116.5-177.4-174.10000109.2T9 P19 R20 H92 T93T9-V11 HydrophobicContact CG2-CG2 3.94Å; V11-P19 CarbonylContact O-C 3.49Å; V11-P19 WeakPolarHBondContact O-CA 3.16Å; V11-P19 WeakPolarHBondContact O-CB 3.46Å; V11-R20 PolarHBondContact N-O 3.39Å; V11-R20 PolarHBondContact O-N 3Å; V11-H92 WeakPolarHBondContact CA-O 3.46Å; V11-T93 HydrophobicContact CG2-CG2 4.1Å
12S97.8Very high96.8Very high19 Ų1950.9 Ų50.913%0.13328%0.275CS..  trans-71.7143.2173.373.80000110.7S91 H92S12-S91 WeakPolarHBondContact O-CB 3.37Å; S12-S91 PolarHBondContact O-OG 2.97Å; S12-H92 PolarHBondContact N-O 2.63Å; S12-H92 PolarHBondContact OG-N 2.72Å; S12-H92 PolarHBondContact OG-O 2.95Å
13R95.7Very high96.9Very high64 Ų6447.7 Ų47.724%0.24226%0.26CS..  trans-135.774-175.1-58.6175.9-68.9-170.9-7.8110.7G15 R16 E18 D38R13-G15 PolarHBondContact O-N 2.94Å; R13-R16 HydrophobicContact CB-CB 4.06Å; R13-R16 PolarHBondContact O-N 3.33Å; R13-E18 PolarHBondContact NE-O 2.87Å; R13-E18 PolarHBondContact NH2-O 3.32Å; R13-D38 IonicContact CZ-OD1 3.58Å; R13-D38 IonicContact CZ-OD2 3.5Å; R13-D38 IonicContact NH1-OD1 2.63Å; R13-D38 IonicContact NH1-OD2 2.95Å; R13-D38 PolarHBondContact NH1-OD2 3.42Å; R13-D38 IonicContact NH2-OD1 3.96Å; R13-D38 PolarHBondContact NH2-OD1 3.19Å; R13-D38 IonicContact NH2-OD2 3.11Å; R13-D38 PolarHBondContact NH2-OD2 3.01Å
14P91.7Very high96.9Very high55 Ų5547.5 Ų47.536%0.35726%0.258SS..THydrogen-bonded Turntrans-50.3131.1-178.6-25.834.1000111.9R16 E88 G90P14-R16 PolarHBondContact O-N 3.36Å; P14-E88 WeakPolarHBondContact CB-O 3.19Å; P14-E88 VanDerWaalsContact CG-O 3.3Å; P14-E88 WeakPolarHBondContact CG-O 3.33Å; P14-G90 WeakPolarHBondContact CG-O 3.3Å
15G91.3Very high96.9Very high89 Ų8947.5 Ų47.592%0.91826%0.258SS*.THydrogen-bonded Turntrans73.92.4-177.800000115.9R13R13-G15 PolarHBondContact O-N 2.94Å
16R91.8Very high96.9Very high216 Ų21648.1 Ų48.182%0.81526%0.261SS*.SBendtrans-126.423.4179.6-57.2-174.9-179.9-173.40.1113.4R13 P14R13-R16 HydrophobicContact CB-CB 4.06Å; R13-R16 PolarHBondContact O-N 3.33Å; P14-R16 PolarHBondContact O-N 3.36Å
17G91.3Very high96.9Very high60 Ų6047.6 Ų47.662%0.61926%0.259SS*.  trans95.4-158.9178.100000113.9
18E94.8Very high96.8Very high94 Ų9445.9 Ų45.944%0.43925%0.253SS..SBendtrans-71.8158.5-178.2-69.3-74.1-160.400112.1R13 R20 R74 R78R13-E18 PolarHBondContact NE-O 2.87Å; R13-E18 PolarHBondContact NH2-O 3.32Å; E18-R20 PolarHBondContact O-N 2.89Å; E18-R74 IonicContact OE1-CZ 3.63Å; E18-R74 IonicContact OE1-NH1 3.64Å; E18-R74 PolarHBondContact OE1-NH1 2.91Å; E18-R74 WeakPolarHBondContact OE2-CD 3.17Å; E18-R78 IonicContact OE1-NH2 3.56Å; E18-R78 IonicContact OE2-NH2 3.57Å
19P97.2Very high96.6Very high18 Ų1853 Ų5312%0.11729%0.292CS..PPolyproline II helixtrans-54138.2174.1-25.735.1000112.3V11 R74 L77V11-P19 CarbonylContact O-C 3.49Å; V11-P19 WeakPolarHBondContact O-CA 3.16Å; V11-P19 WeakPolarHBondContact O-CB 3.46Å; P19-R74 HydrophobicContact CG-CB 4.32Å; P19-R74 HydrophobicContact CG-CG 4.09Å; P19-L77 HydrophobicContact CB-CD1 3.71Å; P19-L77 HydrophobicContact CG-CD1 3.88Å
20R98.4Very high96.5Very high86 Ų8653.8 Ų53.833%0.32530%0.297SS..EExtended strand (participates in β ladder)trans-77.4130.8170.9-171.6176.5-179179.3-2.3108.5S10 V11 E18 I22 D36 D38S10-R20 CarbonylContact C-O 3.59Å; S10-R20 WeakPolarHBondContact CA-O 3.39Å; V11-R20 PolarHBondContact N-O 3.39Å; V11-R20 PolarHBondContact O-N 3Å; E18-R20 PolarHBondContact O-N 2.89Å; R20-I22 HydrophobicContact CG-CG1 4.26Å; R20-D36 IonicContact CZ-OD1 3.41Å; R20-D36 IonicContact CZ-OD2 3.5Å; R20-D36 IonicContact NE-OD1 3.61Å; R20-D36 PolarHBondContact NE-OD1 3.41Å; R20-D36 IonicContact NE-OD2 2.65Å; R20-D36 IonicContact NH2-OD1 3.76Å; R20-D36 PolarHBondContact NH2-OD1 3.46Å; R20-D36 IonicContact NH2-OD2 3.41Å; R20-D36 PolarHBondContact NH2-OD2 2.87Å; R20-D38 VanDerWaalsContact CD-OD2 3.25Å; R20-D38 WeakPolarHBondContact CD-OD2 3.1Å; R20-D38 HydrophobicContact CG-CB 4.37Å; R20-D38 IonicContact NE-OD2 2.81Å
21F98.8Very high96.5Very high0 Ų056.2 Ų56.20%031%0.308CS..EExtended strand (participates in β ladder)trans-112.5130.6172.4-179.6-95.4000110.2Y8 T9 F35 S37 N69 T70 Y73Y8-F21 HydrophobicContact CD1-CZ 4.07Å; Y8-F21 HydrophobicContact CD2-CE2 4.25Å; Y8-F21 AromaticContact CD2-CZ 3.9Å; Y8-F21 HydrophobicContact CD2-CZ 3.9Å; Y8-F21 HydrophobicContact CE2-CZ 4.35Å; Y8-F21 HydrophobicContact CG-CE2 4.09Å; Y8-F21 AromaticContact CG-CZ 3.73Å; Y8-F21 HydrophobicContact CG-CZ 3.73Å; T9-F21 CarbonylContact O-C 3.57Å; T9-F21 WeakPolarHBondContact O-CA 3.34Å; F21-F35 AromaticContact CD1-CD1 3.86Å; F21-F35 HydrophobicContact CD1-CD1 3.86Å; F21-F35 AromaticContact CD1-CE1 3.92Å; F21-F35 HydrophobicContact CD1-CE1 3.92Å; F21-F35 HydrophobicContact CE1-CD1 4.21Å; F21-S37 PolarHBondContact N-OG 3.04Å; F21-S37 PolarHBondContact O-N 3.28Å; F21-S37 PolarHBondContact O-OG 2.77Å; F21-N69 HydrophobicContact CE1-CB 4.15Å; F21-N69 HydrophobicContact CE2-CB 4.16Å; F21-N69 HydrophobicContact CZ-CB 3.66Å; F21-T70 HydrophobicContact CB-CG2 3.93Å; F21-T70 VanDerWaalsContact CD1-OG1 3.32Å; F21-T70 WeakPolarHBondContact CD1-OG1 3.23Å; F21-Y73 HydrophobicContact CD2-CD1 4.39Å; F21-Y73 HydrophobicContact CD2-CD2 4.36Å; F21-Y73 AromaticContact CD2-CG 4Å; F21-Y73 HydrophobicContact CD2-CG 4Å; F21-Y73 HydrophobicContact CE2-CD1 4.15Å; F21-Y73 AromaticContact CE2-CD2 3.77Å; F21-Y73 HydrophobicContact CE2-CD2 3.77Å; F21-Y73 HydrophobicContact CE2-CE1 4.47Å; F21-Y73 HydrophobicContact CE2-CE2 4.13Å; F21-Y73 AromaticContact CE2-CG 3.79Å; F21-Y73 HydrophobicContact CE2-CG 3.79Å
22I98.8Very high96.5Very high36 Ų3654.1 Ų54.119%0.18530%0.296CS..EExtended strand (participates in β ladder)trans-126.8133.3175.1-59174.2000107.7Y8 T9 R20 V24 F35Y8-I22 CarbonylContact C-O 3.54Å; Y8-I22 WeakPolarHBondContact CA-O 3.29Å; T9-I22 PolarHBondContact N-O 2.73Å; T9-I22 PolarHBondContact O-N 3.23Å; R20-I22 HydrophobicContact CG-CG1 4.26Å; I22-V24 HydrophobicContact CG2-CG1 4.3Å; I22-F35 WeakPolarHBondContact CA-O 3.49Å
23S98.8Very high96.5Very high1 Ų153.3 Ų53.31%0.00729%0.29CS..EExtended strand (participates in β ladder)trans-119.1139.2168.5161.70000108.8F7 Y8 R34 F35F7-S23 WeakPolarHBondContact O-CA 3.47Å; Y8-S23 WeakPolarHBondContact CE1-OG 3.49Å; S23-R34 CarbonylContact O-C 3.58Å; S23-R34 VanDerWaalsContact O-CA 3.31Å; S23-R34 WeakPolarHBondContact O-CA 3.25Å; S23-F35 PolarHBondContact N-O 2.77Å; S23-F35 PolarHBondContact O-N 3.2Å
24V98.9Very high96.7Very high21 Ų2153.2 Ų53.213%0.12729%0.29CS..EExtended strand (participates in β ladder)trans-136.5140.4168.5-640000109.8Y6 F7 I22 Y26 Q31 V33 R34Y6-V24 CarbonylContact C-O 3.59Å; Y6-V24 WeakPolarHBondContact CA-O 3.19Å; F7-V24 HydrophobicContact CB-CG2 3.82Å; F7-V24 HydrophobicContact CD2-CG2 4.26Å; F7-V24 HydrophobicContact CG-CG2 4.47Å; F7-V24 PolarHBondContact N-O 3.17Å; F7-V24 PolarHBondContact O-N 2.95Å; I22-V24 HydrophobicContact CG2-CG1 4.3Å; V24-Y26 HydrophobicContact CB-CE2 4.2Å; V24-Y26 HydrophobicContact CG2-CD2 4.4Å; V24-Y26 HydrophobicContact CG2-CE2 3.84Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.28Å; V24-V33 WeakPolarHBondContact CA-O 3.38Å; V24-R34 HydrophobicContact CG1-CB 4.34Å; V24-R34 HydrophobicContact CG1-CG 4.08Å
25G98.8Very high97Very high0 Ų050.8 Ų50.80%027%0.273CS..EExtended strand (participates in β ladder)trans-114.3140.3176.200000111.3R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.52Å; R5-G25 WeakPolarHBondContact O-CA 3.27Å; G25-Q31 WeakPolarHBondContact O-CA 3.35Å; G25-Q31 WeakPolarHBondContact O-CG 3.26Å; G25-F32 WeakPolarHBondContact O-CD1 3.44Å; G25-F32 PolarHBondContact O-N 2.95Å; G25-V33 PolarHBondContact N-O 3.36Å; G25-V33 VanDerWaalsContact N-O 3.12Å
26Y98.8Very high97.4Very high69 Ų6947.6 Ų47.627%0.27124%0.235SC..EExtended strand (participates in β ladder)trans-125.2138.9177.4-76.5-100.7000110.7M4 R5 F7 V24 T30 Q31M4-Y26 CarbonylContact C-O 3.54Å; M4-Y26 VanDerWaalsContact CA-O 3.31Å; M4-Y26 WeakPolarHBondContact CA-O 3.35Å; R5-Y26 PolarHBondContact N-O 3.48Å; R5-Y26 PolarHBondContact O-N 3.09Å; F7-Y26 AromaticContact CD2-CD2 3.98Å; F7-Y26 HydrophobicContact CD2-CD2 3.98Å; F7-Y26 HydrophobicContact CD2-CE2 4.39Å; F7-Y26 AromaticContact CE2-CD2 3.94Å; F7-Y26 HydrophobicContact CE2-CD2 3.94Å; V24-Y26 HydrophobicContact CB-CE2 4.2Å; V24-Y26 HydrophobicContact CG2-CD2 4.4Å; V24-Y26 HydrophobicContact CG2-CE2 3.84Å; Y26-T30 WeakPolarHBondContact CA-O 3.4Å; Y26-Q31 HydrophobicContact CD1-CB 4.08Å; Y26-Q31 HydrophobicContact CD2-CG 4.43Å; Y26-Q31 HydrophobicContact CE1-CB 3.59Å; Y26-Q31 HydrophobicContact CE1-CG 4.32Å; Y26-Q31 HydrophobicContact CE2-CB 4.14Å; Y26-Q31 HydrophobicContact CE2-CG 3.95Å
27V98.3Very high97.7Very high0 Ų038.7 Ų38.70%021%0.206CC..EExtended strand (participates in β ladder)trans-110.3118.1158.5172.20000106S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.58Å; S3-V27 WeakPolarHBondContact O-CA 3.31Å; M4-V27 HydrophobicContact CG-CG2 4.38Å; V27-D29 PolarHBondContact O-N 2.98Å; V27-T30 PolarHBondContact N-O 3.44Å; V27-T30 WeakPolarHBondContact O-CB 3.47Å; V27-T30 PolarHBondContact O-N 3.09Å; V27-F32 HydrophobicContact CG2-CD1 3.91Å; V27-F32 HydrophobicContact CG2-CE1 3.93Å; V27-W50 HydrophobicContact CB-CH2 4.31Å; V27-W50 HydrophobicContact CB-CZ2 4.26Å; V27-W50 HydrophobicContact CG2-CH2 3.81Å; V27-W50 HydrophobicContact CG2-CZ2 4.27Å; V27-L167 HydrophobicContact CG1-CD1 3.76Å; V27-L167 HydrophobicContact CG2-CD1 4.28Å; V27-Y170 HydrophobicContact CG2-CD2 3.87Å; V27-Y170 HydrophobicContact CG2-CG 4.37Å; V27-L171 HydrophobicContact CG1-CD2 4.01Å; V27-L178 HydrophobicContact CG1-CD1 4.28Å
28D96.6Very high98Very high44 Ų4439.4 Ų39.424%0.23520%0.196CC..THydrogen-bonded Turntrans48.2-126.6-164.9-57.1-39.3000110.5H2 S3 T30H2-D28 WeakPolarHBondContact CA-OD1 3.47Å; H2-D28 IonicContact CE1-OD2 3.47Å; H2-D28 IonicContact CG-OD2 2.91Å; H2-D28 IonicContact ND1-OD1 3.67Å; H2-D28 IonicContact ND1-OD2 3.77Å; H2-D28 PolarHBondContact ND1-OD2 2.81Å; S3-D28 PolarHBondContact N-OD1 3.35Å; S3-D28 PolarHBondContact O-N 3.3Å; D28-T30 VanDerWaalsContact C-N 3.32Å
29D95.8Very high98.1Very high159 Ų15936.8 Ų36.885%0.8519%0.19SC*.THydrogen-bonded Turntrans-90.98.4178.9-61.1-52000113.3V27V27-D29 PolarHBondContact O-N 2.98Å
30T96.9Very high98.1Very high54 Ų5441.5 Ų41.533%0.33123%0.231SC..EExtended strand (participates in β ladder)trans-102.5113.9-177.2-58.60000111.5Y26 V27 D28 F32 A48Y26-T30 WeakPolarHBondContact CA-O 3.4Å; V27-T30 PolarHBondContact N-O 3.44Å; V27-T30 WeakPolarHBondContact O-CB 3.47Å; V27-T30 PolarHBondContact O-N 3.09Å; D28-T30 VanDerWaalsContact C-N 3.32Å; T30-F32 PolarHBondContact O-N 2.77Å; T30-A48 HydrophobicContact CG2-CB 4.38Å
31Q98.3Very high98.1Very high52 Ų5241.4 Ų41.424%0.24324%0.243CC..EExtended strand (participates in β ladder)trans-66.7127.1171.1-166.9-177.1-9.200110.2V24 G25 Y26 V33 R47V24-Q31 VanDerWaalsContact CG1-NE2 3.28Å; G25-Q31 WeakPolarHBondContact O-CA 3.35Å; G25-Q31 WeakPolarHBondContact O-CG 3.26Å; Y26-Q31 HydrophobicContact CD1-CB 4.08Å; Y26-Q31 HydrophobicContact CD2-CG 4.43Å; Y26-Q31 HydrophobicContact CE1-CB 3.59Å; Y26-Q31 HydrophobicContact CE1-CG 4.32Å; Y26-Q31 HydrophobicContact CE2-CB 4.14Å; Y26-Q31 HydrophobicContact CE2-CG 3.95Å; Q31-V33 PolarHBondContact NE2-O 2.85Å; Q31-R47 HydrophobicContact CG-CB 4.2Å; Q31-R47 HydrophobicContact CG-CG 4.42Å; Q31-R47 CarbonylContact O-C 3.43Å
32F98.1Very high98Very high0 Ų043.3 Ų43.30%026%0.256CS..EExtended strand (participates in β ladder)trans-119.2-22.8-177.676.3-83000114.4M4 Y6 G25 V27 T30 R47 A48 W50 I51 Y170M4-F32 HydrophobicContact CG-CE1 4.46Å; M4-F32 HydrophobicContact SD-CZ 4.4Å; Y6-F32 HydrophobicContact CE1-CZ 4.21Å; Y6-F32 HydrophobicContact CE2-CZ 4.47Å; Y6-F32 AromaticContact CZ-CZ 3.79Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.36Å; G25-F32 WeakPolarHBondContact O-CD1 3.44Å; G25-F32 PolarHBondContact O-N 2.95Å; V27-F32 HydrophobicContact CG2-CD1 3.91Å; V27-F32 HydrophobicContact CG2-CE1 3.93Å; T30-F32 PolarHBondContact O-N 2.77Å; F32-R47 PolarHBondContact O-N 2.77Å; F32-A48 HydrophobicContact CB-CB 4.07Å; F32-W50 HydrophobicContact CB-CH2 3.2Å; F32-W50 HydrophobicContact CB-CZ2 3.29Å; F32-W50 HydrophobicContact CB-CZ3 4.1Å; F32-W50 HydrophobicContact CD1-CH2 4.08Å; F32-W50 AromaticContact CD2-CH2 3.61Å; F32-W50 HydrophobicContact CD2-CH2 3.61Å; F32-W50 HydrophobicContact CD2-CZ3 4Å; F32-W50 HydrophobicContact CE2-CH2 4.49Å; F32-W50 AromaticContact CG-CH2 3.38Å; F32-W50 HydrophobicContact CG-CH2 3.38Å; F32-W50 AromaticContact CG-CZ2 3.96Å; F32-W50 HydrophobicContact CG-CZ2 3.96Å; F32-W50 HydrophobicContact CG-CZ3 4.22Å; F32-I51 HydrophobicContact CD2-CB 4.38Å; F32-I51 HydrophobicContact CD2-CD1 3.93Å; F32-I51 HydrophobicContact CD2-CG1 4Å; F32-I51 HydrophobicContact CE2-CD1 4.22Å; F32-I51 VanDerWaalsContact O-CG2 3.26Å; F32-I51 WeakPolarHBondContact O-CG2 3.46Å; F32-Y170 HydrophobicContact CE2-CD2 4.18Å; F32-Y170 AromaticContact CE2-CE2 3.64Å; F32-Y170 HydrophobicContact CE2-CE2 3.64Å; F32-Y170 AromaticContact CE2-CZ 3.9Å; F32-Y170 HydrophobicContact CZ-CD2 4.2Å; F32-Y170 AromaticContact CZ-CE2 3.72Å; F32-Y170 HydrophobicContact CZ-CE2 3.72Å
33V98.7Very high98Very high1 Ų148.5 Ų48.51%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-139.9157.8175.6-71.10000112.6Y6 V24 G25 Q31 E44 E45 I51 W59Y6-V33 HydrophobicContact CE1-CG2 3.95Å; V24-V33 WeakPolarHBondContact CA-O 3.38Å; G25-V33 PolarHBondContact N-O 3.36Å; G25-V33 VanDerWaalsContact N-O 3.12Å; Q31-V33 PolarHBondContact NE2-O 2.85Å; V33-E44 HydrophobicContact CB-CG 4.17Å; V33-E44 WeakPolarHBondContact CB-OE1 3.15Å; V33-E44 HydrophobicContact CG1-CG 4.35Å; V33-E45 WeakPolarHBondContact CA-O 3.41Å; V33-I51 HydrophobicContact CG1-CG1 4.25Å; V33-W59 HydrophobicContact CG1-CH2 4.07Å; V33-W59 HydrophobicContact CG1-CZ3 3.92Å
34R98.8Very high98Very high63 Ų6348.9 Ų48.924%0.23828%0.275CS..EExtended strand (participates in β ladder)trans-150140.9173.5179.8177.217484.55.9111S23 V24 D36 E44 E45 R47S23-R34 CarbonylContact O-C 3.58Å; S23-R34 VanDerWaalsContact O-CA 3.31Å; S23-R34 WeakPolarHBondContact O-CA 3.25Å; V24-R34 HydrophobicContact CG1-CB 4.34Å; V24-R34 HydrophobicContact CG1-CG 4.08Å; R34-D36 IonicContact CZ-OD2 3.71Å; R34-D36 IonicContact NH2-OD2 3.52Å; R34-D36 PolarHBondContact NH2-OD2 2.88Å; R34-E44 VanDerWaalsContact C-OE1 3.32Å; R34-E44 PolarHBondContact N-OE1 3.33Å; R34-E45 PolarHBondContact N-O 3.46Å; R34-E45 PolarHBondContact O-N 3.25Å; R34-R47 HydrophobicContact CB-CG 3.89Å
35F98.9Very high97.9Very high3 Ų350.8 Ų50.81%0.01328%0.282CS..EExtended strand (participates in β ladder)trans-125.7146.1162.6174.7-82.6000110.9F21 I22 S23 P42 R43 E44 S66 K67F21-F35 AromaticContact CD1-CD1 3.86Å; F21-F35 HydrophobicContact CD1-CD1 3.86Å; F21-F35 AromaticContact CD1-CE1 3.92Å; F21-F35 HydrophobicContact CD1-CE1 3.92Å; F21-F35 HydrophobicContact CE1-CD1 4.21Å; I22-F35 WeakPolarHBondContact CA-O 3.49Å; S23-F35 PolarHBondContact N-O 2.77Å; S23-F35 PolarHBondContact O-N 3.2Å; F35-P42 HydrophobicContact CE2-CB 3.83Å; F35-P42 HydrophobicContact CZ-CB 3.73Å; F35-R43 VanDerWaalsContact CD2-C 3.44Å; F35-R43 WeakPolarHBondContact CD2-O 3.47Å; F35-E44 VanDerWaalsContact CB-OE2 3.26Å; F35-E44 WeakPolarHBondContact CB-OE2 3.49Å; F35-S66 VanDerWaalsContact CD2-CB 3.43Å; F35-S66 VanDerWaalsContact CG-CB 3.46Å; F35-K67 HydrophobicContact CE2-CG 4.27Å; F35-K67 HydrophobicContact CZ-CG 4.21Å
36D98.8Very high97.9Very high23 Ų2353.2 Ų53.212%0.12330%0.298CS..EExtended strand (participates in β ladder)trans-140.2118176.4-159.6-31000110R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 3.41Å; R20-D36 IonicContact CZ-OD2 3.5Å; R20-D36 IonicContact NE-OD1 3.61Å; R20-D36 PolarHBondContact NE-OD1 3.41Å; R20-D36 IonicContact NE-OD2 2.65Å; R20-D36 IonicContact NH2-OD1 3.76Å; R20-D36 PolarHBondContact NH2-OD1 3.46Å; R20-D36 IonicContact NH2-OD2 3.41Å; R20-D36 PolarHBondContact NH2-OD2 2.87Å; R34-D36 IonicContact CZ-OD2 3.71Å; R34-D36 IonicContact NH2-OD2 3.52Å; R34-D36 PolarHBondContact NH2-OD2 2.88Å; D36-D38 PolarHBondContact O-N 3.16Å; D36-D38 PolarHBondContact OD1-N 2.83Å; D36-A39 HydrophobicContact CB-CB 4.47Å; D36-A39 WeakPolarHBondContact O-CB 3.49Å; D36-A39 PolarHBondContact O-N 3.48Å
37S98.4Very high97.9Very high28 Ų2855.5 Ų55.520%0.19631%0.306CS..THydrogen-bonded Turntrans-66.3-20.7-178.469.80000113.4F21 A39F21-S37 PolarHBondContact N-OG 3.04Å; F21-S37 PolarHBondContact O-N 3.28Å; F21-S37 PolarHBondContact O-OG 2.77Å; S37-A39 VanDerWaalsContact C-N 3.35Å
38D97.5Very high97.7Very high75 Ų7555.7 Ų55.740%0.40131%0.307SS..THydrogen-bonded Turntrans-87.9-2.8179.2-796.4000112.8R13 R20 D36R13-D38 IonicContact CZ-OD1 3.58Å; R13-D38 IonicContact CZ-OD2 3.5Å; R13-D38 IonicContact NH1-OD1 2.63Å; R13-D38 IonicContact NH1-OD2 2.95Å; R13-D38 PolarHBondContact NH1-OD2 3.42Å; R13-D38 IonicContact NH2-OD1 3.96Å; R13-D38 PolarHBondContact NH2-OD1 3.19Å; R13-D38 IonicContact NH2-OD2 3.11Å; R13-D38 PolarHBondContact NH2-OD2 3.01Å; R20-D38 VanDerWaalsContact CD-OD2 3.25Å; R20-D38 WeakPolarHBondContact CD-OD2 3.1Å; R20-D38 HydrophobicContact CG-CB 4.37Å; R20-D38 IonicContact NE-OD2 2.81Å; D36-D38 PolarHBondContact O-N 3.16Å; D36-D38 PolarHBondContact OD1-N 2.83Å
39A97.4Very high97.7Very high39 Ų3957.1 Ų57.132%0.32232%0.319SS..SBendtrans-62.8150.5175.500000110.9D36 S37 S41 P42D36-A39 HydrophobicContact CB-CB 4.47Å; D36-A39 WeakPolarHBondContact O-CB 3.49Å; D36-A39 PolarHBondContact O-N 3.48Å; S37-A39 VanDerWaalsContact C-N 3.35Å; A39-S41 PolarHBondContact O-N 3.13Å; A39-P42 VanDerWaalsContact O-CD 3.22Å; A39-P42 WeakPolarHBondContact O-CD 3.31Å; A39-P42 VanDerWaalsContact O-CG 3.28Å; A39-P42 WeakPolarHBondContact O-CG 3.31Å
40A97.1Very high97.6Very high118 Ų11850.3 Ų50.398%0.97528%0.282SS*.SBendtrans-60-30.3178.100000112.8
41S97Very high97.6Very high84 Ų8447.7 Ų47.759%0.58727%0.266SS*.SBendtrans-134.388.5171.1-173.10000108.8A39 R43A39-S41 PolarHBondContact O-N 3.13Å; S41-R43 PolarHBondContact O-N 3.16Å; S41-R43 VanDerWaalsContact O-N 3.16Å
42P97.7Very high97.4Very high40 Ų4051.2 Ų51.226%0.2628%0.282SS..  trans-64.4115.2-175.8-23.735.1000112.1F35 A39 K67F35-P42 HydrophobicContact CE2-CB 3.83Å; F35-P42 HydrophobicContact CZ-CB 3.73Å; A39-P42 VanDerWaalsContact O-CD 3.22Å; A39-P42 WeakPolarHBondContact O-CD 3.31Å; A39-P42 VanDerWaalsContact O-CG 3.28Å; A39-P42 WeakPolarHBondContact O-CG 3.31Å; P42-K67 VanDerWaalsContact O-CE 3.32Å; P42-K67 WeakPolarHBondContact O-CE 3.3Å
43R98.3Very high97.2Very high144 Ų14456.7 Ų56.754%0.54331%0.308SS..  trans-149160.2176.564.3-178.8176.5173.40.5110.6F35 S41 E45 T63F35-R43 VanDerWaalsContact CD2-C 3.44Å; F35-R43 WeakPolarHBondContact CD2-O 3.47Å; S41-R43 PolarHBondContact O-N 3.16Å; S41-R43 VanDerWaalsContact O-N 3.16Å; R43-E45 HydrophobicContact CG-CG 3.98Å; R43-E45 IonicContact NE-OE1 3.49Å; R43-T63 HydrophobicContact CB-CG2 4.08Å
44E98.5Very high97.1Very high9 Ų957.2 Ų57.24%0.04231%0.31CS..  trans-70.8130169.9-15971-143.400108.4V33 R34 F35 W59 E62 T63 S66V33-E44 HydrophobicContact CB-CG 4.17Å; V33-E44 WeakPolarHBondContact CB-OE1 3.15Å; V33-E44 HydrophobicContact CG1-CG 4.35Å; R34-E44 VanDerWaalsContact C-OE1 3.32Å; R34-E44 PolarHBondContact N-OE1 3.33Å; F35-E44 VanDerWaalsContact CB-OE2 3.26Å; F35-E44 WeakPolarHBondContact CB-OE2 3.49Å; E44-W59 HydrophobicContact CB-CE3 4.25Å; E44-W59 HydrophobicContact CG-CE3 4.43Å; E44-W59 HydrophobicContact CG-CZ3 4.25Å; E44-E62 HydrophobicContact CB-CB 4.04Å; E44-E62 HydrophobicContact CG-CB 3.92Å; E44-T63 PolarHBondContact N-OG1 3.38Å; E44-S66 PolarHBondContact OE2-OG 2.88Å
45E98.3Very high97Very high62 Ų6255.7 Ų55.729%0.2931%0.314SS..EExtended strand (participates in β ladder)trans-121.8138.5-174.8-63.2-173.9141.100111.4V33 R34 R43 R47V33-E45 WeakPolarHBondContact CA-O 3.41Å; R34-E45 PolarHBondContact N-O 3.46Å; R34-E45 PolarHBondContact O-N 3.25Å; R43-E45 HydrophobicContact CG-CG 3.98Å; R43-E45 IonicContact NE-OE1 3.49Å; E45-R47 IonicContact OE2-CZ 3.73Å; E45-R47 IonicContact OE2-NH2 3.86Å; E45-R47 PolarHBondContact OE2-NH2 2.95Å
46P98.1Very high97Very high50 Ų5059.6 Ų59.633%0.32534%0.339SS..EExtended strand (participates in β ladder)trans-65.6143.2174.828.6-34.8000111I51 E52 W59P46-I51 HydrophobicContact CB-CG2 3.59Å; P46-E52 HydrophobicContact CB-CG 3.83Å; P46-E52 HydrophobicContact CG-CG 4.06Å; P46-W59 HydrophobicContact CB-CH2 3.65Å; P46-W59 HydrophobicContact CB-CZ2 4.01Å; P46-W59 HydrophobicContact CG-CH2 4.25Å; P46-W59 HydrophobicContact CG-CZ2 4.42Å
47R98Very high96.9Very high117 Ų11765.1 Ų65.144%0.44237%0.365SS..  trans-126.6-2.6174.7-58.9-64.1169.8-179.6-2.4113.3Q31 F32 R34 E45Q31-R47 HydrophobicContact CG-CB 4.2Å; Q31-R47 HydrophobicContact CG-CG 4.42Å; Q31-R47 CarbonylContact O-C 3.43Å; F32-R47 PolarHBondContact O-N 2.77Å; R34-R47 HydrophobicContact CB-CG 3.89Å; E45-R47 IonicContact OE2-CZ 3.73Å; E45-R47 IonicContact OE2-NH2 3.86Å; E45-R47 PolarHBondContact OE2-NH2 2.95Å
48A95.6Very high96.9Very high4 Ų464.3 Ų64.33%0.03336%0.357CS..SBendtrans-134.4143.9172.200000110.7T30 F32 W50 I51T30-A48 HydrophobicContact CG2-CB 4.38Å; F32-A48 HydrophobicContact CB-CB 4.07Å; A48-W50 VanDerWaalsContact C-N 3.25Å; A48-W50 HydrophobicContact CB-CD2 4.23Å; A48-W50 HydrophobicContact CB-CG 4.37Å; A48-W50 HydrophobicContact CB-CZ2 4.1Å; A48-W50 PolarHBondContact O-N 2.68Å; A48-I51 WeakPolarHBondContact O-CG2 3.2Å; A48-I51 PolarHBondContact O-N 3.41Å
49P94.8Very high96.9Very high75 Ų7562.6 Ų62.649%0.48735%0.345SS..G310 helixtrans-60.6-31.8-176.8-26.434.9000114.4I51 E52P49-I51 VanDerWaalsContact C-N 3.26Å; P49-I51 PolarHBondContact O-N 2.69Å; P49-E52 WeakPolarHBondContact O-CB 3.38Å; P49-E52 PolarHBondContact O-N 2.83Å
50W94.1Very high97Very high15 Ų1566.3 Ų66.36%0.05736%0.359CS..G310 helixtrans-73.6-14.9-176.354.8-106.6000113.6V27 F32 A48 Q53 Y170 N173V27-W50 HydrophobicContact CB-CH2 4.31Å; V27-W50 HydrophobicContact CB-CZ2 4.26Å; V27-W50 HydrophobicContact CG2-CH2 3.81Å; V27-W50 HydrophobicContact CG2-CZ2 4.27Å; F32-W50 HydrophobicContact CB-CH2 3.2Å; F32-W50 HydrophobicContact CB-CZ2 3.29Å; F32-W50 HydrophobicContact CB-CZ3 4.1Å; F32-W50 HydrophobicContact CD1-CH2 4.08Å; F32-W50 AromaticContact CD2-CH2 3.61Å; F32-W50 HydrophobicContact CD2-CH2 3.61Å; F32-W50 HydrophobicContact CD2-CZ3 4Å; F32-W50 HydrophobicContact CE2-CH2 4.49Å; F32-W50 AromaticContact CG-CH2 3.38Å; F32-W50 HydrophobicContact CG-CH2 3.38Å; F32-W50 AromaticContact CG-CZ2 3.96Å; F32-W50 HydrophobicContact CG-CZ2 3.96Å; F32-W50 HydrophobicContact CG-CZ3 4.22Å; A48-W50 VanDerWaalsContact C-N 3.25Å; A48-W50 HydrophobicContact CB-CD2 4.23Å; A48-W50 HydrophobicContact CB-CG 4.37Å; A48-W50 HydrophobicContact CB-CZ2 4.1Å; A48-W50 PolarHBondContact O-N 2.68Å; W50-Q53 WeakPolarHBondContact O-CG 3.46Å; W50-Y170 HydrophobicContact CE3-CD1 4.49Å; W50-Y170 HydrophobicContact CH2-CD2 4.46Å; W50-Y170 HydrophobicContact CH2-CG 4.05Å; W50-Y170 AromaticContact CZ3-CD1 3.69Å; W50-Y170 HydrophobicContact CZ3-CD1 3.69Å; W50-Y170 HydrophobicContact CZ3-CD2 4.38Å; W50-Y170 AromaticContact CZ3-CG 3.62Å; W50-Y170 HydrophobicContact CZ3-CG 3.62Å; W50-N173 HydrophobicContact CB-CB 4.45Å
51I96.6Very high97Very high0 Ų065.7 Ų65.70%033%0.332CS..G310 helixtrans-86.8-19.9174.8-164.871.2000111.5F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-I51 HydrophobicContact CD2-CB 4.38Å; F32-I51 HydrophobicContact CD2-CD1 3.93Å; F32-I51 HydrophobicContact CD2-CG1 4Å; F32-I51 HydrophobicContact CE2-CD1 4.22Å; F32-I51 VanDerWaalsContact O-CG2 3.26Å; F32-I51 WeakPolarHBondContact O-CG2 3.46Å; V33-I51 HydrophobicContact CG1-CG1 4.25Å; P46-I51 HydrophobicContact CB-CG2 3.59Å; A48-I51 WeakPolarHBondContact O-CG2 3.2Å; A48-I51 PolarHBondContact O-N 3.41Å; P49-I51 VanDerWaalsContact C-N 3.26Å; P49-I51 PolarHBondContact O-N 2.69Å; I51-Q53 PolarHBondContact O-N 3.04Å; I51-Q53 VanDerWaalsContact O-N 3.09Å; I51-E54 HydrophobicContact CD1-CG 3.65Å; I51-E54 HydrophobicContact CG1-CG 4.23Å; I51-E54 WeakPolarHBondContact O-CB 3.43Å; I51-E54 WeakPolarHBondContact O-CG 3.36Å; I51-E54 PolarHBondContact O-N 3.44Å; I51-Y58 HydrophobicContact CD1-CE1 4.22Å; I51-Y58 HydrophobicContact CG1-CE1 4.27Å; I51-W59 HydrophobicContact CB-CH2 4.41Å; I51-W59 HydrophobicContact CG1-CH2 3.69Å; I51-W59 HydrophobicContact CG1-CZ2 3.96Å; I51-W59 HydrophobicContact CG2-CH2 3.97Å; I51-W59 HydrophobicContact CG2-CZ2 4.36Å; I51-W59 WeakPolarHBondContact O-CZ2 3.1Å; I51-Y170 HydrophobicContact CD1-CD1 3.79Å; I51-Y170 HydrophobicContact CD1-CE1 3.34Å
52E94.8Very high97.1Very high126 Ų12662.8 Ų62.859%0.58931%0.309SS*.THydrogen-bonded Turntrans-63.1-19.6-178.5-64.6178.5-165.500113.4P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.83Å; P46-E52 HydrophobicContact CG-CG 4.06Å; P49-E52 WeakPolarHBondContact O-CB 3.38Å; P49-E52 PolarHBondContact O-N 2.83Å; E52-E54 PolarHBondContact O-N 3.01Å
53Q94.3Very high97.1Very high115 Ų11561.5 Ų61.554%0.53730%0.301SS..THydrogen-bonded Turntrans-74.1-12.8175.672.3-174.843.800113.8W50 I51 N173W50-Q53 WeakPolarHBondContact O-CG 3.46Å; I51-Q53 PolarHBondContact O-N 3.04Å; I51-Q53 VanDerWaalsContact O-N 3.09Å; Q53-N173 PolarHBondContact NE2-ND2 3.22Å; Q53-N173 VanDerWaalsContact NE2-ND2 3.16Å; Q53-N173 PolarHBondContact NE2-OD1 3.02Å
54E96.6Very high97.2Very high12 Ų1260 Ų606%0.05630%0.3CS..SBendtrans-66.4139.6175-64.8-59.7159.300110.8I51 E52 Y58 W59 R169 N173I51-E54 HydrophobicContact CD1-CG 3.65Å; I51-E54 HydrophobicContact CG1-CG 4.23Å; I51-E54 WeakPolarHBondContact O-CB 3.43Å; I51-E54 WeakPolarHBondContact O-CG 3.36Å; I51-E54 PolarHBondContact O-N 3.44Å; E52-E54 PolarHBondContact O-N 3.01Å; E54-Y58 HydrophobicContact CB-CD1 3.64Å; E54-Y58 HydrophobicContact CB-CE1 4.25Å; E54-Y58 HydrophobicContact CB-CG 3.8Å; E54-Y58 HydrophobicContact CG-CD1 4.13Å; E54-Y58 HydrophobicContact CG-CD2 4.46Å; E54-Y58 HydrophobicContact CG-CE1 4.33Å; E54-Y58 HydrophobicContact CG-CG 4.21Å; E54-W59 PolarHBondContact O-NE1 2.7Å; E54-R169 IonicContact OE1-CZ 3.98Å; E54-R169 IonicContact OE1-NE 2.74Å; E54-R169 PolarHBondContact OE1-NE 3.08Å; E54-R169 IonicContact OE1-NH2 3.47Å; E54-R169 PolarHBondContact OE1-NH2 3.08Å; E54-R169 IonicContact OE2-CZ 3.63Å; E54-R169 IonicContact OE2-NE 3.6Å; E54-R169 PolarHBondContact OE2-NE 2.75Å; E54-R169 IonicContact OE2-NH2 2.84Å; E54-R169 PolarHBondContact OE2-NH2 3.42Å; E54-N173 PolarHBondContact OE1-ND2 2.93Å; E54-N173 VanDerWaalsContact OE1-ND2 3.13Å
55G96.8Very high97.1Very high30 Ų3062.6 Ų62.631%0.30931%0.313SS..  trans-70.1167-175.200000113.9E57 Y58 W59G55-E57 PolarHBondContact O-N 3.38Å; G55-Y58 WeakPolarHBondContact O-CB 3.39Å; G55-Y58 PolarHBondContact O-N 3.47Å; G55-Y58 VanDerWaalsContact O-N 3.09Å; G55-W59 PolarHBondContact O-N 2.84Å
56P97.5Very high97.1Very high85 Ų8559.8 Ų59.855%0.55230%0.3SS*.Hα-helixtrans-57.4-33.4-18023.6-32.7000113.1Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.27Å; P56-Y58 PolarHBondContact O-N 3.36Å; P56-W59 PolarHBondContact O-N 2.89Å; P56-D60 WeakPolarHBondContact O-CB 3.42Å; P56-D60 PolarHBondContact O-N 2.91Å
57E98Very high97.2Very high140 Ų14061.8 Ų61.865%0.65430%0.304SS*.Hα-helixtrans-62.9-33.9179-60.779-173.500112.6G55 R61G55-E57 PolarHBondContact O-N 3.38Å; E57-R61 VanDerWaalsContact O-CB 3.27Å; E57-R61 WeakPolarHBondContact O-CB 3.25Å; E57-R61 PolarHBondContact O-N 3.26Å; E57-R61 VanDerWaalsContact O-N 3.1Å
58Y97.9Very high97.2Very high11 Ų1159.7 Ų59.74%0.04330%0.304CS..Hα-helixtrans-64.2-52.7173.7171.3-92000110.1I51 E54 G55 P56 D60 R61 E62 W166 Y170I51-Y58 HydrophobicContact CD1-CE1 4.22Å; I51-Y58 HydrophobicContact CG1-CE1 4.27Å; E54-Y58 HydrophobicContact CB-CD1 3.64Å; E54-Y58 HydrophobicContact CB-CE1 4.25Å; E54-Y58 HydrophobicContact CB-CG 3.8Å; E54-Y58 HydrophobicContact CG-CD1 4.13Å; E54-Y58 HydrophobicContact CG-CD2 4.46Å; E54-Y58 HydrophobicContact CG-CE1 4.33Å; E54-Y58 HydrophobicContact CG-CG 4.21Å; G55-Y58 WeakPolarHBondContact O-CB 3.39Å; G55-Y58 PolarHBondContact O-N 3.47Å; G55-Y58 VanDerWaalsContact O-N 3.09Å; P56-Y58 VanDerWaalsContact C-N 3.27Å; P56-Y58 PolarHBondContact O-N 3.36Å; Y58-D60 VanDerWaalsContact C-N 3.34Å; Y58-D60 PolarHBondContact O-N 2.8Å; Y58-R61 PolarHBondContact O-N 3.07Å; Y58-E62 HydrophobicContact CD1-CG 4.28Å; Y58-E62 HydrophobicContact CD2-CG 4.19Å; Y58-E62 HydrophobicContact CE1-CG 3.93Å; Y58-E62 HydrophobicContact CE2-CG 3.85Å; Y58-E62 HydrophobicContact CG-CG 4.4Å; Y58-E62 WeakPolarHBondContact O-CG 3.35Å; Y58-E62 PolarHBondContact O-N 2.92Å; Y58-W166 AromaticContact CD2-CH2 3.63Å; Y58-W166 HydrophobicContact CD2-CH2 3.63Å; Y58-W166 HydrophobicContact CD2-CZ2 4.27Å; Y58-W166 AromaticContact CD2-CZ3 3.96Å; Y58-W166 HydrophobicContact CD2-CZ3 3.96Å; Y58-W166 HydrophobicContact CE2-CE3 4.38Å; Y58-W166 AromaticContact CE2-CH2 3.9Å; Y58-W166 HydrophobicContact CE2-CH2 3.9Å; Y58-W166 HydrophobicContact CE2-CZ2 4.45Å; Y58-W166 AromaticContact CE2-CZ3 3.85Å; Y58-W166 HydrophobicContact CE2-CZ3 3.85Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.26Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.34Å; Y58-Y170 PolarHBondContact OH-OH 3.13Å
59W98.4Very high97.3Very high39 Ų3961 Ų6115%0.14831%0.311CS..Hα-helixtrans-63-39.1-177.4-64.2111.7000112.9V33 E44 P46 I51 E54 G55 P56 T63V33-W59 HydrophobicContact CG1-CH2 4.07Å; V33-W59 HydrophobicContact CG1-CZ3 3.92Å; E44-W59 HydrophobicContact CB-CE3 4.25Å; E44-W59 HydrophobicContact CG-CE3 4.43Å; E44-W59 HydrophobicContact CG-CZ3 4.25Å; P46-W59 HydrophobicContact CB-CH2 3.65Å; P46-W59 HydrophobicContact CB-CZ2 4.01Å; P46-W59 HydrophobicContact CG-CH2 4.25Å; P46-W59 HydrophobicContact CG-CZ2 4.42Å; I51-W59 HydrophobicContact CB-CH2 4.41Å; I51-W59 HydrophobicContact CG1-CH2 3.69Å; I51-W59 HydrophobicContact CG1-CZ2 3.96Å; I51-W59 HydrophobicContact CG2-CH2 3.97Å; I51-W59 HydrophobicContact CG2-CZ2 4.36Å; I51-W59 WeakPolarHBondContact O-CZ2 3.1Å; E54-W59 PolarHBondContact O-NE1 2.7Å; G55-W59 PolarHBondContact O-N 2.84Å; P56-W59 PolarHBondContact O-N 2.89Å; W59-T63 WeakPolarHBondContact O-CB 3.38Å; W59-T63 PolarHBondContact O-N 3.28Å; W59-T63 PolarHBondContact O-OG1 3.37Å
60D98.4Very high97.5Very high116 Ų11658.4 Ų58.462%0.6229%0.294SS*.Hα-helixtrans-65.2-43.9175.7-75.9-18.5000111.3P56 Y58 Q64P56-D60 WeakPolarHBondContact O-CB 3.42Å; P56-D60 PolarHBondContact O-N 2.91Å; Y58-D60 VanDerWaalsContact C-N 3.34Å; Y58-D60 PolarHBondContact O-N 2.8Å; D60-Q64 WeakPolarHBondContact O-CB 3.26Å; D60-Q64 PolarHBondContact O-N 3Å
61R98.2Very high97.7Very high106 Ų10661.9 Ų61.940%0.431%0.31SS..Hα-helixtrans-63.6-51.9177.6-172.4-173.473.6-172.91.1111.7E57 Y58 T63 Q64 I65 W166E57-R61 VanDerWaalsContact O-CB 3.27Å; E57-R61 WeakPolarHBondContact O-CB 3.25Å; E57-R61 PolarHBondContact O-N 3.26Å; E57-R61 VanDerWaalsContact O-N 3.1Å; Y58-R61 PolarHBondContact O-N 3.07Å; R61-T63 VanDerWaalsContact C-N 3.31Å; R61-T63 PolarHBondContact O-N 3.05Å; R61-Q64 PolarHBondContact O-N 3.41Å; R61-Q64 VanDerWaalsContact O-N 3.12Å; R61-I65 HydrophobicContact CG-CD1 4.06Å; R61-I65 WeakPolarHBondContact O-CG1 3.26Å; R61-I65 PolarHBondContact O-N 2.89Å; R61-W166 VanDerWaalsContact NH2-CZ2 3.32Å
62E98.3Very high97.8Very high22 Ų2265 Ų6510%0.10333%0.329CS..Hα-helixtrans-63.6-39.3-179.1-62.8-49.312800111.2E44 Y58 Q64 I65 S66E44-E62 HydrophobicContact CB-CB 4.04Å; E44-E62 HydrophobicContact CG-CB 3.92Å; Y58-E62 HydrophobicContact CD1-CG 4.28Å; Y58-E62 HydrophobicContact CD2-CG 4.19Å; Y58-E62 HydrophobicContact CE1-CG 3.93Å; Y58-E62 HydrophobicContact CE2-CG 3.85Å; Y58-E62 HydrophobicContact CG-CG 4.4Å; Y58-E62 WeakPolarHBondContact O-CG 3.35Å; Y58-E62 PolarHBondContact O-N 2.92Å; E62-Q64 VanDerWaalsContact C-N 3.32Å; E62-Q64 PolarHBondContact O-N 3.04Å; E62-I65 PolarHBondContact O-N 3.03Å; E62-S66 PolarHBondContact O-N 2.87Å; E62-S66 PolarHBondContact O-OG 3.04Å
63T98.7Very high97.9Very high14 Ų1459.3 Ų59.39%0.08630%0.303CS..Hα-helixtrans-58.7-43.7172.7-66.60000111.8R43 E44 W59 R61 S66 K67R43-T63 HydrophobicContact CB-CG2 4.08Å; E44-T63 PolarHBondContact N-OG1 3.38Å; W59-T63 WeakPolarHBondContact O-CB 3.38Å; W59-T63 PolarHBondContact O-N 3.28Å; W59-T63 PolarHBondContact O-OG1 3.37Å; R61-T63 VanDerWaalsContact C-N 3.31Å; R61-T63 PolarHBondContact O-N 3.05Å; T63-S66 PolarHBondContact O-N 3.12Å; T63-K67 HydrophobicContact CG2-CD 4.15Å; T63-K67 WeakPolarHBondContact O-CG 3.46Å; T63-K67 PolarHBondContact O-N 2.85Å
64Q98.6Very high98.1Very high112 Ų11256.4 Ų56.452%0.52329%0.287SS..Hα-helixtrans-69.2-35.3179.8-172.55827.400112.4D60 R61 E62 K67 T68D60-Q64 WeakPolarHBondContact O-CB 3.26Å; D60-Q64 PolarHBondContact O-N 3Å; R61-Q64 PolarHBondContact O-N 3.41Å; R61-Q64 VanDerWaalsContact O-N 3.12Å; E62-Q64 VanDerWaalsContact C-N 3.32Å; E62-Q64 PolarHBondContact O-N 3.04Å; Q64-K67 PolarHBondContact O-N 3.03Å; Q64-T68 WeakPolarHBondContact O-CB 3.15Å; Q64-T68 PolarHBondContact O-N 2.8Å; Q64-T68 PolarHBondContact O-OG1 3.41Å
65I98Very high98.2Very high64 Ų6460.7 Ų60.733%0.32831%0.307SS..Hα-helixtrans-62.2-49.8172.1-69.9167000109.9R61 E62 K67 T68 N69R61-I65 HydrophobicContact CG-CD1 4.06Å; R61-I65 WeakPolarHBondContact O-CG1 3.26Å; R61-I65 PolarHBondContact O-N 2.89Å; E62-I65 PolarHBondContact O-N 3.03Å; I65-K67 VanDerWaalsContact C-N 3.33Å; I65-K67 PolarHBondContact O-N 2.88Å; I65-T68 WeakPolarHBondContact O-CB 3.37Å; I65-T68 PolarHBondContact O-N 2.74Å; I65-T68 VanDerWaalsContact O-N 3.16Å; I65-N69 WeakPolarHBondContact CG2-ND2 3.28Å; I65-N69 PolarHBondContact O-N 2.65Å; I65-N69 PolarHBondContact O-ND2 3.23Å
66S98.6Very high98.2Very high2 Ų261.1 Ų61.11%0.01431%0.305CS..Hα-helixtrans-60.7-38177.8-77.10000112.9F35 E44 E62 T63 N69 T70F35-S66 VanDerWaalsContact CD2-CB 3.43Å; F35-S66 VanDerWaalsContact CG-CB 3.46Å; E44-S66 PolarHBondContact OE2-OG 2.88Å; E62-S66 PolarHBondContact O-N 2.87Å; E62-S66 PolarHBondContact O-OG 3.04Å; T63-S66 PolarHBondContact O-N 3.12Å; S66-N69 PolarHBondContact O-N 3.49Å; S66-T70 PolarHBondContact O-N 3.16Å; S66-T70 PolarHBondContact O-OG1 3.39Å
67K98.3Very high98.3Very high92 Ų9257.5 Ų57.540%0.428%0.281SS..Hα-helixtrans-65.7-42.6173.2-75.9175.3179.3173.50112.6F35 P42 T63 Q64 I65 T70 Q71F35-K67 HydrophobicContact CE2-CG 4.27Å; F35-K67 HydrophobicContact CZ-CG 4.21Å; P42-K67 VanDerWaalsContact O-CE 3.32Å; P42-K67 WeakPolarHBondContact O-CE 3.3Å; T63-K67 HydrophobicContact CG2-CD 4.15Å; T63-K67 WeakPolarHBondContact O-CG 3.46Å; T63-K67 PolarHBondContact O-N 2.85Å; Q64-K67 PolarHBondContact O-N 3.03Å; I65-K67 VanDerWaalsContact C-N 3.33Å; I65-K67 PolarHBondContact O-N 2.88Å; K67-T70 WeakPolarHBondContact O-CB 3.49Å; K67-T70 PolarHBondContact O-N 2.89Å; K67-Q71 PolarHBondContact O-N 3.17Å
68T98.5Very high98.2Very high74 Ų7456.7 Ų56.745%0.45427%0.272SS..Hα-helixtrans-61.5-46.9174.4-57.80000110.5Q64 I65 T70 Q71 T72Q64-T68 WeakPolarHBondContact O-CB 3.15Å; Q64-T68 PolarHBondContact O-N 2.8Å; Q64-T68 PolarHBondContact O-OG1 3.41Å; I65-T68 WeakPolarHBondContact O-CB 3.37Å; I65-T68 PolarHBondContact O-N 2.74Å; I65-T68 VanDerWaalsContact O-N 3.16Å; T68-T70 VanDerWaalsContact C-N 3.29Å; T68-T70 PolarHBondContact O-N 2.95Å; T68-Q71 WeakPolarHBondContact O-CB 3.22Å; T68-Q71 PolarHBondContact O-N 2.95Å; T68-T72 PolarHBondContact O-N 2.74Å; T68-T72 PolarHBondContact O-OG1 2.96Å
69N98.4Very high98.2Very high32 Ų3260.1 Ų60.117%0.17129%0.291CS..Hα-helixtrans-62.1-34.8178.2-76.8-35.9000112.8Y8 F21 I65 S66 Q71 T72 Y73Y8-N69 HydrophobicContact CE2-CB 4.42Å; Y8-N69 WeakPolarHBondContact CE2-ND2 3.44Å; Y8-N69 PolarHBondContact OH-ND2 3.31Å; F21-N69 HydrophobicContact CE1-CB 4.15Å; F21-N69 HydrophobicContact CE2-CB 4.16Å; F21-N69 HydrophobicContact CZ-CB 3.66Å; I65-N69 WeakPolarHBondContact CG2-ND2 3.28Å; I65-N69 PolarHBondContact O-N 2.65Å; I65-N69 PolarHBondContact O-ND2 3.23Å; S66-N69 PolarHBondContact O-N 3.49Å; N69-Q71 PolarHBondContact O-N 2.84Å; N69-T72 PolarHBondContact O-N 3.25Å; N69-Y73 HydrophobicContact CB-CD2 4.48Å; N69-Y73 WeakPolarHBondContact O-CB 3.37Å; N69-Y73 VanDerWaalsContact O-CD2 3.26Å; N69-Y73 WeakPolarHBondContact O-CD2 3.43Å; N69-Y73 PolarHBondContact O-N 3.19Å
70T98.5Very high98.2Very high20 Ų2058.6 Ų58.612%0.12329%0.286CS..Hα-helixtrans-55.3-42.3172.9-59.90000111.4F21 S66 K67 T68 R74F21-T70 HydrophobicContact CB-CG2 3.93Å; F21-T70 VanDerWaalsContact CD1-OG1 3.32Å; F21-T70 WeakPolarHBondContact CD1-OG1 3.23Å; S66-T70 PolarHBondContact O-N 3.16Å; S66-T70 PolarHBondContact O-OG1 3.39Å; K67-T70 WeakPolarHBondContact O-CB 3.49Å; K67-T70 PolarHBondContact O-N 2.89Å; T68-T70 VanDerWaalsContact C-N 3.29Å; T68-T70 PolarHBondContact O-N 2.95Å; T70-R74 WeakPolarHBondContact O-CB 3.28Å; T70-R74 PolarHBondContact O-N 3.19Å
71Q98.2Very high98.1Very high87 Ų8756.3 Ų56.341%0.40727%0.268SS..Hα-helixtrans-72.4-45178.2-56.7-54.8-44.900111.9K67 T68 N69 Y73 R74 E75K67-Q71 PolarHBondContact O-N 3.17Å; T68-Q71 WeakPolarHBondContact O-CB 3.22Å; T68-Q71 PolarHBondContact O-N 2.95Å; N69-Q71 PolarHBondContact O-N 2.84Å; Q71-Y73 VanDerWaalsContact C-N 3.33Å; Q71-Y73 PolarHBondContact O-N 3.49Å; Q71-R74 WeakPolarHBondContact O-CB 3.27Å; Q71-R74 PolarHBondContact O-N 3.16Å; Q71-E75 PolarHBondContact O-N 3.5Å
72T98.1Very high98.1Very high65 Ų6553.2 Ų53.240%0.39927%0.27SS..Hα-helixtrans-58.7-43.2178-57.40000112.2T68 N69 E75 S76T68-T72 PolarHBondContact O-N 2.74Å; T68-T72 PolarHBondContact O-OG1 2.96Å; N69-T72 PolarHBondContact O-N 3.25Å; T72-E75 PolarHBondContact O-N 2.81Å; T72-S76 WeakPolarHBondContact O-CB 3.11Å; T72-S76 PolarHBondContact O-N 2.63Å; T72-S76 PolarHBondContact O-OG 2.79Å
73Y98.4Very high98Very high8 Ų854.8 Ų54.83%0.03128%0.275CS..Hα-helixtrans-71.3-34.9179.6-86.5-111000112Y8 F21 N69 Q71 E75 S76 L77 L94 S96 Y115Y8-Y73 AromaticContact CD2-CE2 3.89Å; Y8-Y73 HydrophobicContact CD2-CE2 3.89Å; Y8-Y73 AromaticContact CD2-CZ 3.86Å; F21-Y73 HydrophobicContact CD2-CD1 4.39Å; F21-Y73 HydrophobicContact CD2-CD2 4.36Å; F21-Y73 AromaticContact CD2-CG 4Å; F21-Y73 HydrophobicContact CD2-CG 4Å; F21-Y73 HydrophobicContact CE2-CD1 4.15Å; F21-Y73 AromaticContact CE2-CD2 3.77Å; F21-Y73 HydrophobicContact CE2-CD2 3.77Å; F21-Y73 HydrophobicContact CE2-CE1 4.47Å; F21-Y73 HydrophobicContact CE2-CE2 4.13Å; F21-Y73 AromaticContact CE2-CG 3.79Å; F21-Y73 HydrophobicContact CE2-CG 3.79Å; N69-Y73 HydrophobicContact CB-CD2 4.48Å; N69-Y73 WeakPolarHBondContact O-CB 3.37Å; N69-Y73 VanDerWaalsContact O-CD2 3.26Å; N69-Y73 WeakPolarHBondContact O-CD2 3.43Å; N69-Y73 PolarHBondContact O-N 3.19Å; Q71-Y73 VanDerWaalsContact C-N 3.33Å; Q71-Y73 PolarHBondContact O-N 3.49Å; Y73-E75 VanDerWaalsContact C-N 3.35Å; Y73-E75 PolarHBondContact O-N 3.09Å; Y73-S76 PolarHBondContact O-N 3.33Å; Y73-L77 WeakPolarHBondContact O-CB 3.28Å; Y73-L77 WeakPolarHBondContact O-CG 3.12Å; Y73-L77 PolarHBondContact O-N 3.2Å; Y73-L94 HydrophobicContact CD1-CB 4.39Å; Y73-L94 HydrophobicContact CD1-CD2 3.64Å; Y73-L94 HydrophobicContact CD1-CG 3.85Å; Y73-L94 HydrophobicContact CE1-CD2 3.96Å; Y73-L94 HydrophobicContact CE1-CG 3.89Å; Y73-L94 HydrophobicContact CG-CD2 4.35Å; Y73-S96 WeakPolarHBondContact OH-CB 3.43Å; Y73-S96 PolarHBondContact OH-OG 3.45Å; Y73-Y115 WeakPolarHBondContact OH-CE1 3.43Å
74R98.1Very high98Very high53 Ų5357.3 Ų57.320%0.228%0.284CS..Hα-helixtrans-59-46.3171.8176.2-174.168.2161.41.1111.4E18 P19 T70 Q71 R78E18-R74 IonicContact OE1-CZ 3.63Å; E18-R74 IonicContact OE1-NH1 3.64Å; E18-R74 PolarHBondContact OE1-NH1 2.91Å; E18-R74 WeakPolarHBondContact OE2-CD 3.17Å; P19-R74 HydrophobicContact CG-CB 4.32Å; P19-R74 HydrophobicContact CG-CG 4.09Å; T70-R74 WeakPolarHBondContact O-CB 3.28Å; T70-R74 PolarHBondContact O-N 3.19Å; Q71-R74 WeakPolarHBondContact O-CB 3.27Å; Q71-R74 PolarHBondContact O-N 3.16Å; R74-R78 WeakPolarHBondContact O-CG 3.35Å; R74-R78 PolarHBondContact O-N 2.84Å
75E97.8Very high97.9Very high103 Ų10359.2 Ų59.248%0.48130%0.297SS..Hα-helixtrans-66.8-40.2176.6-70.4178.6-171.700111.9Q71 T72 Y73 L77 R78 N79Q71-E75 PolarHBondContact O-N 3.5Å; T72-E75 PolarHBondContact O-N 2.81Å; Y73-E75 VanDerWaalsContact C-N 3.35Å; Y73-E75 PolarHBondContact O-N 3.09Å; E75-L77 PolarHBondContact O-N 3.43Å; E75-R78 WeakPolarHBondContact O-CB 3.44Å; E75-R78 PolarHBondContact O-N 3.07Å; E75-R78 VanDerWaalsContact O-N 3.14Å; E75-N79 PolarHBondContact O-N 3.18Å; E75-N79 PolarHBondContact O-ND2 2.89Å
76S98.1Very high97.9Very high38 Ų3859 Ų5927%0.26630%0.295SS..Hα-helixtrans-61-42.8176.9-60.40000111.9T72 Y73 R78 N79 L80 L94T72-S76 WeakPolarHBondContact O-CB 3.11Å; T72-S76 PolarHBondContact O-N 2.63Å; T72-S76 PolarHBondContact O-OG 2.79Å; Y73-S76 PolarHBondContact O-N 3.33Å; S76-R78 VanDerWaalsContact C-N 3.31Å; S76-R78 PolarHBondContact O-N 3.21Å; S76-N79 PolarHBondContact O-N 2.83Å; S76-L80 WeakPolarHBondContact O-CB 3.28Å; S76-L80 VanDerWaalsContact O-CG 3.26Å; S76-L80 WeakPolarHBondContact O-CG 3.18Å; S76-L80 PolarHBondContact O-N 2.91Å; S76-L94 VanDerWaalsContact CB-CD2 3.5Å
77L98.3Very high97.7Very high9 Ų962.7 Ų62.75%0.04732%0.32CS..Hα-helixtrans-59.4-39.9173.9-78.5168.9000112.4S10 P19 Y73 E75 R81 H92 L94 Y117S10-L77 WeakPolarHBondContact OG-CD1 3.31Å; P19-L77 HydrophobicContact CB-CD1 3.71Å; P19-L77 HydrophobicContact CG-CD1 3.88Å; Y73-L77 WeakPolarHBondContact O-CB 3.28Å; Y73-L77 WeakPolarHBondContact O-CG 3.12Å; Y73-L77 PolarHBondContact O-N 3.2Å; E75-L77 PolarHBondContact O-N 3.43Å; L77-R81 WeakPolarHBondContact O-CB 3.02Å; L77-R81 PolarHBondContact O-N 2.85Å; L77-R81 VanDerWaalsContact O-N 3.08Å; L77-H92 HydrophobicContact CD2-CB 4.32Å; L77-L94 HydrophobicContact CD2-CB 3.66Å; L77-L94 HydrophobicContact CG-CB 4.11Å; L77-Y117 HydrophobicContact CD2-CE2 4Å
78R96.8Very high97.4Very high124 Ų12465 Ų6547%0.46833%0.333SS..Hα-helixtrans-65.4-42.6176-67.7175.4-173.7167.12.4111.6E18 R74 E75 S76 G82E18-R78 IonicContact OE1-NH2 3.56Å; E18-R78 IonicContact OE2-NH2 3.57Å; R74-R78 WeakPolarHBondContact O-CG 3.35Å; R74-R78 PolarHBondContact O-N 2.84Å; E75-R78 WeakPolarHBondContact O-CB 3.44Å; E75-R78 PolarHBondContact O-N 3.07Å; E75-R78 VanDerWaalsContact O-N 3.14Å; S76-R78 VanDerWaalsContact C-N 3.31Å; S76-R78 PolarHBondContact O-N 3.21Å; R78-G82 PolarHBondContact O-N 3.04Å
79N97.4Very high97.1Very high82 Ų8265.5 Ų65.544%0.43934%0.344SS..Hα-helixtrans-64.5-47.8177.5-71.7-29.4000112E75 S76 R81 G82 Y83E75-N79 PolarHBondContact O-N 3.18Å; E75-N79 PolarHBondContact O-ND2 2.89Å; S76-N79 PolarHBondContact O-N 2.83Å; N79-R81 PolarHBondContact O-N 3.09Å; N79-G82 WeakPolarHBondContact O-CA 3.08Å; N79-G82 PolarHBondContact O-N 3.32Å; N79-G82 VanDerWaalsContact O-N 3.07Å; N79-Y83 WeakPolarHBondContact O-CD1 3.36Å; N79-Y83 PolarHBondContact O-N 2.99Å
80L98.1Very high96.9Very high7 Ų765 Ų654%0.03735%0.347CS..Hα-helixtrans-60.3-46.1179.9-72167000111.4S76 G82 Y83 Y84 L94 Y117 Y122S76-L80 WeakPolarHBondContact O-CB 3.28Å; S76-L80 VanDerWaalsContact O-CG 3.26Å; S76-L80 WeakPolarHBondContact O-CG 3.18Å; S76-L80 PolarHBondContact O-N 2.91Å; L80-G82 PolarHBondContact O-N 2.86Å; L80-Y83 HydrophobicContact CD2-CD2 4.49Å; L80-Y83 PolarHBondContact O-N 3.07Å; L80-Y84 HydrophobicContact CD2-CE2 4.31Å; L80-Y84 VanDerWaalsContact O-CD2 3.28Å; L80-Y84 WeakPolarHBondContact O-CD2 3.14Å; L80-Y84 PolarHBondContact O-N 3.13Å; L80-L94 HydrophobicContact CD1-CB 4.38Å; L80-L94 HydrophobicContact CD1-CD1 3.7Å; L80-L94 HydrophobicContact CD1-CD2 3.89Å; L80-L94 HydrophobicContact CD1-CG 4.2Å; L80-Y117 HydrophobicContact CB-CD1 4.39Å; L80-Y117 HydrophobicContact CB-CD2 4.23Å; L80-Y117 HydrophobicContact CB-CE1 4Å; L80-Y117 HydrophobicContact CB-CE2 3.86Å; L80-Y117 HydrophobicContact CB-CG 4.48Å; L80-Y117 HydrophobicContact CD1-CD2 3.61Å; L80-Y117 HydrophobicContact CD1-CE2 3.91Å; L80-Y117 HydrophobicContact CD1-CG 4.06Å; L80-Y117 HydrophobicContact CG-CD2 4.44Å; L80-Y117 HydrophobicContact CG-CE2 4.5Å; L80-Y122 HydrophobicContact CD2-CD1 4.36Å; L80-Y122 HydrophobicContact CD2-CD2 4.12Å; L80-Y122 HydrophobicContact CD2-CE1 3.77Å; L80-Y122 HydrophobicContact CD2-CE2 3.47Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.47Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.39Å
81R97.1Very high96.8Very high68 Ų6867.5 Ų67.526%0.25737%0.366SS..Hα-helixtrans-53.2-41.2174-172.6-174.566.2166.311.6111.8L77 N79 N85 Q86 E88L77-R81 WeakPolarHBondContact O-CB 3.02Å; L77-R81 PolarHBondContact O-N 2.85Å; L77-R81 VanDerWaalsContact O-N 3.08Å; N79-R81 PolarHBondContact O-N 3.09Å; R81-N85 PolarHBondContact O-N 2.87Å; R81-N85 VanDerWaalsContact O-N 3.13Å; R81-Q86 HydrophobicContact CG-CB 3.82Å; R81-Q86 WeakPolarHBondContact CG-O 3.45Å; R81-Q86 PolarHBondContact O-N 2.92Å; R81-E88 IonicContact CZ-OE1 2.69Å; R81-E88 VanDerWaalsContact CZ-OE1 3.28Å; R81-E88 VanDerWaalsContact NH1-CG 3.26Å; R81-E88 IonicContact NH1-OE1 2.75Å; R81-E88 PolarHBondContact NH1-OE1 2.04Å; R81-E88 IonicContact NH2-OE1 3.84Å; R81-E88 PolarHBondContact NH2-OE1 3.32Å
82G97.3Very high96.8Very high42 Ų4264.1 Ų64.143%0.43335%0.35SS..Hα-helixtrans-66.4-44.2174.900000113.3R78 N79 L80 Y84 N85R78-G82 PolarHBondContact O-N 3.04Å; N79-G82 WeakPolarHBondContact O-CA 3.08Å; N79-G82 PolarHBondContact O-N 3.32Å; N79-G82 VanDerWaalsContact O-N 3.07Å; L80-G82 PolarHBondContact O-N 2.86Å; G82-Y84 VanDerWaalsContact C-N 3.25Å; G82-Y84 PolarHBondContact O-N 2.81Å; G82-N85 PolarHBondContact O-N 2.84Å; G82-N85 VanDerWaalsContact O-N 3.13Å; G82-N85 PolarHBondContact O-OD1 3.37Å
83Y97.9Very high96.8Very high55 Ų5562.7 Ų62.722%0.21634%0.341CS..Hα-helixtrans-62.4-34.7179.2-62.6-11.7000112.6N79 L80 I141 K145N79-Y83 WeakPolarHBondContact O-CD1 3.36Å; N79-Y83 PolarHBondContact O-N 2.99Å; L80-Y83 HydrophobicContact CD2-CD2 4.49Å; L80-Y83 PolarHBondContact O-N 3.07Å; Y83-I141 HydrophobicContact CD1-CD1 4.16Å; Y83-I141 HydrophobicContact CD2-CB 4.46Å; Y83-I141 HydrophobicContact CE1-CG2 4.08Å; Y83-I141 HydrophobicContact CE2-CB 4.26Å; Y83-I141 HydrophobicContact CE2-CG2 3.96Å; Y83-I141 HydrophobicContact CG-CD1 4.15Å; Y83-K145 PolarHBondContact OH-NZ 3.41Å
84Y97.9Very high96.9Very high67 Ų6762.5 Ų62.526%0.26334%0.341SS..THydrogen-bonded Turntrans-92.94.3178-69.6-75000114L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.31Å; L80-Y84 VanDerWaalsContact O-CD2 3.28Å; L80-Y84 WeakPolarHBondContact O-CD2 3.14Å; L80-Y84 PolarHBondContact O-N 3.13Å; G82-Y84 VanDerWaalsContact C-N 3.25Å; G82-Y84 PolarHBondContact O-N 2.81Å; Y84-Q86 PolarHBondContact O-N 2.84Å; Y84-Y117 AromaticContact CD2-CD1 3.7Å; Y84-Y117 HydrophobicContact CD2-CD1 3.7Å; Y84-Y117 AromaticContact CD2-CE1 3.52Å; Y84-Y117 HydrophobicContact CD2-CE1 3.52Å; Y84-Y117 AromaticContact CE2-CD1 3.52Å; Y84-Y117 HydrophobicContact CE2-CD1 3.52Å; Y84-Y117 AromaticContact CE2-CE1 3.87Å; Y84-Y117 HydrophobicContact CE2-CE1 3.87Å; Y84-Y117 HydrophobicContact CG-CE1 4.36Å; Y84-Y122 HydrophobicContact CE2-CD2 4.3Å; Y84-Y122 AromaticContact CE2-CE2 3.98Å; Y84-Y122 HydrophobicContact CE2-CE2 3.98Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.32Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.18Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.32Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.25Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.37Å; Y84-D136 VanDerWaalsContact OH-CG 3.26Å; Y84-D136 PolarHBondContact OH-OD1 3.27Å; Y84-D136 PolarHBondContact OH-OD2 3.43Å; Y84-A138 HydrophobicContact CD1-CB 4.12Å; Y84-A138 HydrophobicContact CD2-CB 4.37Å; Y84-A138 HydrophobicContact CE1-CB 3.6Å; Y84-A138 HydrophobicContact CE2-CB 3.88Å; Y84-A138 HydrophobicContact CG-CB 4.49Å; Y84-A138 VanDerWaalsContact CZ-CB 3.46Å
85N96.9Very high96.9Very high152 Ų15263.5 Ų63.581%0.81335%0.348SS*.THydrogen-bonded Turntrans5139.1-177.4-58.9-57.5000113.4R81 G82R81-N85 PolarHBondContact O-N 2.87Å; R81-N85 VanDerWaalsContact O-N 3.13Å; G82-N85 PolarHBondContact O-N 2.84Å; G82-N85 VanDerWaalsContact O-N 3.13Å; G82-N85 PolarHBondContact O-OD1 3.37Å
86Q97.1Very high96.9Very high60 Ų6059 Ų5928%0.2833%0.327SS..  trans-86.7151.6-176.1-71.3166.6-3200112R81 Y84 H92 Y117 D118R81-Q86 HydrophobicContact CG-CB 3.82Å; R81-Q86 WeakPolarHBondContact CG-O 3.45Å; R81-Q86 PolarHBondContact O-N 2.92Å; Y84-Q86 PolarHBondContact O-N 2.84Å; Q86-H92 PolarHBondContact NE2-CE1 2.81Å; Q86-H92 PolarHBondContact OE1-CE1 3.48Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.24Å; Q86-Y117 PolarHBondContact OE1-OH 2.9Å; Q86-D118 PolarHBondContact NE2-OD2 2.86Å
87S95.1Very high96.9Very high78 Ų7857.7 Ų57.755%0.54532%0.317SS..  trans-70157-179.378.10000113.1A89 G90S87-A89 VanDerWaalsContact C-N 3.25Å; S87-A89 PolarHBondContact O-N 2.86Å; S87-G90 PolarHBondContact O-N 2.64Å
88E91.4Very high97Very high140 Ų14058.9 Ų58.965%0.65432%0.321SS*.THydrogen-bonded Turntrans-71.4-19.3176.3-52-148.1119.300114.4P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.19Å; P14-E88 VanDerWaalsContact CG-O 3.3Å; P14-E88 WeakPolarHBondContact CG-O 3.33Å; R81-E88 IonicContact CZ-OE1 2.69Å; R81-E88 VanDerWaalsContact CZ-OE1 3.28Å; R81-E88 VanDerWaalsContact NH1-CG 3.26Å; R81-E88 IonicContact NH1-OE1 2.75Å; R81-E88 PolarHBondContact NH1-OE1 2.04Å; R81-E88 IonicContact NH2-OE1 3.84Å; R81-E88 PolarHBondContact NH2-OE1 3.32Å; E88-G90 VanDerWaalsContact C-N 3.3Å
89A92.3Very high97.1Very high85 Ų8553 Ų5370%0.70230%0.299SS*.THydrogen-bonded Turntrans-79.1-14.7-178.100000113S87S87-A89 VanDerWaalsContact C-N 3.25Å; S87-A89 PolarHBondContact O-N 2.86Å
90G93.3Very high97.1Very high23 Ų2349.1 Ų49.124%0.23728%0.278CS..  trans-76.7134.4-179.300000112.9P14 S87 E88 H92P14-G90 WeakPolarHBondContact CG-O 3.3Å; S87-G90 PolarHBondContact O-N 2.64Å; E88-G90 VanDerWaalsContact C-N 3.3Å; G90-H92 PolarHBondContact O-CD2 2.91Å
91S97.3Very high97.1Very high72 Ų7250.3 Ų50.350%0.50328%0.284SS..  trans-83.4133164.5-179.90000108.8S12S12-S91 WeakPolarHBondContact O-CB 3.37Å; S12-S91 PolarHBondContact O-OG 2.97Å
92H98.4Very high97.2Very high15 Ų1547.1 Ų47.17%0.06927%0.273CS..  trans-132.5150.1-174.7-64.3-73.6000110.3V11 S12 L77 Q86 G90 Y117 D118V11-H92 WeakPolarHBondContact CA-O 3.46Å; S12-H92 PolarHBondContact N-O 2.63Å; S12-H92 PolarHBondContact OG-N 2.72Å; S12-H92 PolarHBondContact OG-O 2.95Å; L77-H92 HydrophobicContact CD2-CB 4.32Å; Q86-H92 PolarHBondContact NE2-CE1 2.81Å; Q86-H92 PolarHBondContact OE1-CE1 3.48Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.24Å; G90-H92 PolarHBondContact O-CD2 2.91Å; H92-Y117 HydrophobicContact CB-CE2 3.85Å; H92-Y117 WeakPolarHBondContact CB-OH 3.33Å; H92-Y117 VanDerWaalsContact CG-OH 3.27Å; H92-Y117 PolarHBondContact ND1-OH 3.42Å; H92-D118 WeakPolarHBondContact CA-OD1 3.43Å; H92-D118 IonicContact CE1-OD2 3.76Å; H92-D118 IonicContact CG-OD1 3.67Å; H92-D118 IonicContact CG-OD2 2.86Å; H92-D118 IonicContact ND1-OD1 2.77Å; H92-D118 IonicContact ND1-OD2 3.91Å; H92-D118 PolarHBondContact ND1-OD2 3.3Å
93T98.7Very high97.2Very high36 Ų3645.5 Ų45.522%0.22126%0.256CS..EExtended strand (participates in β ladder)trans-124.4124.8-176.9-59.50000110.6T9 S10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 4.08Å; S10-T93 CarbonylContact O-C 3.59Å; S10-T93 WeakPolarHBondContact O-CA 3.23Å; V11-T93 HydrophobicContact CG2-CG2 4.1Å; T93-Q95 HydrophobicContact CG2-CG 3.84Å; T93-Y117 WeakPolarHBondContact O-CA 3.17Å; T93-Y117 WeakPolarHBondContact O-CD2 3.2Å; T93-D118 PolarHBondContact N-OD1 2.83Å; T93-D118 PolarHBondContact O-N 2.82Å
94L98.8Very high96.9Very high4 Ų454.5 Ų54.52%0.02129%0.289CS..EExtended strand (participates in β ladder)trans-109.212517017560.2000108.5S10 Y73 S76 L77 L80 Y115 A116 Y117S10-L94 PolarHBondContact N-O 3.39Å; S10-L94 PolarHBondContact O-N 2.73Å; Y73-L94 HydrophobicContact CD1-CB 4.39Å; Y73-L94 HydrophobicContact CD1-CD2 3.64Å; Y73-L94 HydrophobicContact CD1-CG 3.85Å; Y73-L94 HydrophobicContact CE1-CD2 3.96Å; Y73-L94 HydrophobicContact CE1-CG 3.89Å; Y73-L94 HydrophobicContact CG-CD2 4.35Å; S76-L94 VanDerWaalsContact CB-CD2 3.5Å; L77-L94 HydrophobicContact CD2-CB 3.66Å; L77-L94 HydrophobicContact CG-CB 4.11Å; L80-L94 HydrophobicContact CD1-CB 4.38Å; L80-L94 HydrophobicContact CD1-CD1 3.7Å; L80-L94 HydrophobicContact CD1-CD2 3.89Å; L80-L94 HydrophobicContact CD1-CG 4.2Å; L94-Y115 HydrophobicContact CD1-CD1 4.23Å; L94-A116 WeakPolarHBondContact CD1-O 3.24Å; L94-Y117 HydrophobicContact CB-CD2 4.43Å
95Q98.8Very high96.7Very high74 Ų7456.5 Ų56.535%0.34630%0.304SS..EExtended strand (participates in β ladder)trans-120.6151.1177.3-65.3175-73.300110.4Y8 T9 T93 Y115 A116Y8-Q95 CarbonylContact O-C 3.5Å; Y8-Q95 VanDerWaalsContact O-CA 3.23Å; Y8-Q95 WeakPolarHBondContact O-CA 3.36Å; T9-Q95 HydrophobicContact CG2-CG 4.04Å; T93-Q95 HydrophobicContact CG2-CG 3.84Å; Q95-Y115 CarbonylContact O-C 3.55Å; Q95-Y115 VanDerWaalsContact O-CA 3.28Å; Q95-Y115 WeakPolarHBondContact O-CA 3.41Å; Q95-A116 HydrophobicContact CB-CB 4.43Å; Q95-A116 PolarHBondContact N-O 3.36Å; Q95-A116 PolarHBondContact O-N 3.29Å
96S98.6Very high96.5Very high7 Ų750 Ų505%0.04927%0.273CS..EExtended strand (participates in β ladder)trans-138.2156163.474.30000111.7F7 Y8 Y73 Q114F7-S96 WeakPolarHBondContact CA-O 3.33Å; Y8-S96 PolarHBondContact N-O 3.3Å; Y8-S96 PolarHBondContact O-N 2.91Å; Y73-S96 WeakPolarHBondContact OH-CB 3.43Å; Y73-S96 PolarHBondContact OH-OG 3.45Å; S96-Q114 CarbonylContact C-O 3.58Å; S96-Q114 WeakPolarHBondContact CA-O 3.35Å; S96-Q114 VanDerWaalsContact CB-O 3.31Å; S96-Q114 WeakPolarHBondContact CB-O 3.45Å
97M98.6Very high96.4Very high12 Ų1255.3 Ų55.36%0.05929%0.291CS..EExtended strand (participates in β ladder)trans-130.5130.9167.1-177.1-76.4-70.600108R5 Y6 F7 H112 N113 Q114R5-M97 WeakPolarHBondContact CD-SD 3.41Å; Y6-M97 WeakPolarHBondContact O-CA 3.45Å; F7-M97 HydrophobicContact CD1-CB 3.92Å; F7-M97 HydrophobicContact CD1-CG 3.72Å; F7-M97 HydrophobicContact CE1-CB 4Å; F7-M97 HydrophobicContact CE1-CG 3.37Å; F7-M97 HydrophobicContact CZ-CG 3.91Å; M97-H112 HydrophobicContact CE-CB 3.77Å; M97-H112 HydrophobicContact SD-CB 3.92Å; M97-N113 CarbonylContact O-C 3.57Å; M97-N113 WeakPolarHBondContact O-CA 3.13Å; M97-Q114 HydrophobicContact CB-CG 3.97Å; M97-Q114 VanDerWaalsContact CE-CD 3.45Å; M97-Q114 HydrophobicContact CE-CG 3.96Å; M97-Q114 PolarHBondContact N-O 3.27Å; M97-Q114 PolarHBondContact O-N 2.92Å
98Y98.6Very high96.6Very high34 Ų3453.8 Ų53.813%0.13328%0.276CS..EExtended strand (participates in β ladder)trans-144.2159.1171.770.9-86.9000110.9R5 Y6 Y8 H112 N113 Y158R5-Y98 WeakPolarHBondContact CA-O 3.06Å; Y6-Y98 VanDerWaalsContact CB-CZ 3.44Å; Y6-Y98 AromaticContact CD2-CE2 3.83Å; Y6-Y98 HydrophobicContact CD2-CE2 3.83Å; Y6-Y98 AromaticContact CD2-CZ 3.95Å; Y6-Y98 HydrophobicContact CG-CE1 4.35Å; Y6-Y98 HydrophobicContact CG-CE2 4.15Å; Y6-Y98 AromaticContact CG-CZ 3.79Å; Y6-Y98 PolarHBondContact N-O 2.87Å; Y6-Y98 PolarHBondContact O-N 3.29Å; Y6-Y98 VanDerWaalsContact O-N 3.09Å; Y8-Y98 HydrophobicContact CD1-CE1 4.47Å; Y8-Y98 HydrophobicContact CD2-CE1 4.09Å; Y8-Y98 AromaticContact CE1-CE1 4Å; Y8-Y98 HydrophobicContact CE1-CE1 4Å; Y8-Y98 AromaticContact CE2-CE1 3.58Å; Y8-Y98 HydrophobicContact CE2-CE1 3.58Å; Y8-Y98 AromaticContact CZ-CE1 3.57Å; Y8-Y98 AromaticContact CZ-CZ 3.87Å; Y8-Y98 VanDerWaalsContact CZ-OH 3.26Å; Y8-Y98 PolarHBondContact OH-OH 2.89Å; Y98-H112 WeakPolarHBondContact CA-O 3.35Å; Y98-H112 VanDerWaalsContact CB-O 3.28Å; Y98-H112 WeakPolarHBondContact CB-O 3.49Å; Y98-N113 WeakPolarHBondContact CB-ND2 3.21Å; Y98-Y158 AromaticContact CD2-CE1 3.92Å; Y98-Y158 HydrophobicContact CD2-CE1 3.92Å; Y98-Y158 AromaticContact CE2-CE1 3.91Å; Y98-Y158 HydrophobicContact CE2-CE1 3.91Å
99G98.7Very high96.9Very high0 Ų052.7 Ų52.70%027%0.274CS..EExtended strand (participates in β ladder)trans155.7-175-176.800000113.5M4 H112 L159M4-G99 CarbonylContact O-C 3.56Å; M4-G99 WeakPolarHBondContact O-CA 3.41Å; G99-H112 PolarHBondContact N-O 3.39Å; G99-H112 PolarHBondContact O-N 3.1Å; G99-L159 WeakPolarHBondContact O-CD2 3.26Å
100C98.8Very high97.1Very high0 Ų053.2 Ų53.20%026%0.258CS..EExtended strand (participates in β ladder)trans-133.5145.5-175.151.20000111.1S3 M4 L108 R110 C163S3-C100 WeakPolarHBondContact CA-O 3.42Å; M4-C100 PolarHBondContact N-O 3.37Å; M4-C100 PolarHBondContact O-N 3.43Å; C100-L108 HydrophobicContact CB-CD1 3.57Å; C100-R110 CarbonylContact C-O 3.6Å; C100-R110 WeakPolarHBondContact CA-O 3.09Å; C100-C163 HydrophobicContact CB-CB 3.95Å; C100-C163 WeakPolarHBondContact CB-SG 3.35Å; C100-C163 PolarHBondContact N-SG 3.06Å; C100-C163 WeakPolarHBondContact SG-CB 3.49Å; C100-C163 PolarHBondContact SG-O 2.89Å; C100-C163 VanDerWaalsContact SG-O 3.41Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.25Å
101D98.6Very high97.4Very high32 Ų3252.4 Ų52.417%0.17125%0.25CC..EExtended strand (participates in β ladder)trans-108.2135.1169.8-50.8-31.8000108.6H2 S3 R5 L109 R110 H112H2-D101 CarbonylContact O-C 3.55Å; H2-D101 WeakPolarHBondContact O-CA 3.38Å; S3-D101 VanDerWaalsContact CB-OD1 3.29Å; S3-D101 WeakPolarHBondContact CB-OD1 3.4Å; R5-D101 IonicContact CZ-OD1 2.77Å; R5-D101 IonicContact NE-OD1 3.59Å; R5-D101 PolarHBondContact NE-OD1 2.8Å; R5-D101 IonicContact NH2-OD1 3.68Å; R5-D101 PolarHBondContact NH2-OD1 3.11Å; R5-D101 IonicContact NH2-OD2 2.68Å; R5-D101 PolarHBondContact NH2-OD2 2.85Å; D101-L109 PolarHBondContact O-N 2.94Å; D101-R110 HydrophobicContact CB-CB 4.38Å; D101-R110 PolarHBondContact N-O 3.47Å; D101-R110 PolarHBondContact O-N 2.95Å; D101-H112 IonicContact OD1-CD2 3.54Å; D101-H112 IonicContact OD1-NE2 3.44Å; D101-H112 IonicContact OD2-CD2 3.57Å; D101-H112 IonicContact OD2-CE1 3.25Å; D101-H112 IonicContact OD2-NE2 2.83Å; D101-H112 PolarHBondContact OD2-NE2 2.91Å
102V98.2Very high97.5Very high2 Ų250 Ų501%0.01223%0.231CC..EExtended strand (participates in β ladder)trans-120.1144.6-179.9-60.70000112.7S1 H2 R107 V164 L167S1-V102 WeakPolarHBondContact CA-O 3.32Å; S1-V102 VanDerWaalsContact CB-O 3.3Å; S1-V102 WeakPolarHBondContact CB-O 3.38Å; H2-V102 HydrophobicContact CB-CG2 4.04Å; H2-V102 PolarHBondContact N-O 3.4Å; H2-V102 VanDerWaalsContact N-O 3.09Å; H2-V102 PolarHBondContact O-N 3.43Å; V102-R107 CarbonylContact C-O 3.52Å; V102-R107 VanDerWaalsContact CA-O 3.25Å; V102-R107 WeakPolarHBondContact CA-O 3.48Å; V102-V164 HydrophobicContact CG1-CB 4.41Å; V102-V164 HydrophobicContact CG1-CG1 4.01Å; V102-V164 HydrophobicContact CG1-CG2 3.99Å; V102-L167 HydrophobicContact CB-CD2 4.34Å; V102-L167 HydrophobicContact CG1-CD2 3.91Å; V102-L167 HydrophobicContact CG2-CD2 3.58Å; V102-L167 HydrophobicContact CG2-CG 4.27Å
103G96.6Very high97.5Very high7 Ų749.7 Ų49.77%0.07223%0.229CC..  trans-72.7176.4177.300000112.5D105 G106 R107G103-D105 PolarHBondContact O-N 3.12Å; G103-G106 WeakPolarHBondContact O-CA 3.35Å; G103-G106 PolarHBondContact O-N 2.91Å; G103-R107 PolarHBondContact N-O 2.9Å
104R93.3Very high97.5Very high245 Ų24552.2 Ų52.293%0.92524%0.238SC*.THydrogen-bonded Turntrans-64.9-25173.2-68.4-176.1179.5175.2-0.8112.5G106R104-G106 PolarHBondContact O-N 3.38Å
105D93.4Very high97.5Very high108 Ų10855.3 Ų55.358%0.57825%0.25SS*.THydrogen-bonded Turntrans-80.12.5172.464.4-10.6000112.8G103 R107G103-D105 PolarHBondContact O-N 3.12Å; D105-R107 HydrophobicContact CB-CG 4.46Å; D105-R107 PolarHBondContact O-N 3.26Å; D105-R107 PolarHBondContact OD1-N 2.99Å; D105-R107 VanDerWaalsContact OD1-N 3.08Å; D105-R107 WeakPolarHBondContact OD2-CD 3.41Å; D105-R107 WeakPolarHBondContact OD2-CG 3.27Å
106G91.9Very high97.5Very high15 Ų1552.7 Ų52.716%0.15524%0.241CC..SBendtrans72.82.3-178.400000114.4G103 R104 V164 R168G103-G106 WeakPolarHBondContact O-CA 3.35Å; G103-G106 PolarHBondContact O-N 2.91Å; R104-G106 PolarHBondContact O-N 3.38Å; G106-V164 WeakPolarHBondContact O-CG1 3.32Å; G106-R168 VanDerWaalsContact C-NH2 3.31Å; G106-R168 VanDerWaalsContact O-CZ 3.28Å; G106-R168 PolarHBondContact O-NE 3.43Å; G106-R168 PolarHBondContact O-NH2 2.9Å
107R96.1Very high97.5Very high172 Ų17252.9 Ų52.965%0.64924%0.241SC*.  trans-79.9152.2-179.6-61-177.874.91150110.7V102 G103 D105 L109V102-R107 CarbonylContact C-O 3.52Å; V102-R107 VanDerWaalsContact CA-O 3.25Å; V102-R107 WeakPolarHBondContact CA-O 3.48Å; G103-R107 PolarHBondContact N-O 2.9Å; D105-R107 HydrophobicContact CB-CG 4.46Å; D105-R107 PolarHBondContact O-N 3.26Å; D105-R107 PolarHBondContact OD1-N 2.99Å; D105-R107 VanDerWaalsContact OD1-N 3.08Å; D105-R107 WeakPolarHBondContact OD2-CD 3.41Å; D105-R107 WeakPolarHBondContact OD2-CG 3.27Å; R107-L109 PolarHBondContact O-N 2.94Å
108L98.1Very high97.5Very high47 Ų4755.4 Ų55.425%0.24626%0.255CS..EExtended strand (participates in β ladder)trans-57.7125.9173.7-175.769.7000109.9C100 R110 L129 E160 V164C100-L108 HydrophobicContact CB-CD1 3.57Å; L108-R110 WeakPolarHBondContact CD1-O 3.33Å; L108-L129 HydrophobicContact CD2-CD1 4.17Å; L108-E160 HydrophobicContact CD2-CB 4.4Å; L108-E160 HydrophobicContact CD2-CG 3.65Å; L108-V164 HydrophobicContact CB-CG2 4.03Å; L108-V164 HydrophobicContact CD1-CG2 3.95Å
109L97.7Very high97.4Very high116 Ų11656.6 Ų56.661%0.60728%0.278SS*.EExtended strand (participates in β ladder)trans-96.6-43.3168.4-67.7177.9000111.1D101 R107D101-L109 PolarHBondContact O-N 2.94Å; R107-L109 PolarHBondContact O-N 2.94Å
110R97.9Very high97.4Very high97 Ų9764.3 Ų64.337%0.36631%0.311SS..EExtended strand (participates in β ladder)trans-154.4135.6-176.3-173.1174.8-177.6117.55.5111.3C100 D101 L108 H112 E127C100-R110 CarbonylContact C-O 3.6Å; C100-R110 WeakPolarHBondContact CA-O 3.09Å; D101-R110 HydrophobicContact CB-CB 4.38Å; D101-R110 PolarHBondContact N-O 3.47Å; D101-R110 PolarHBondContact O-N 2.95Å; L108-R110 WeakPolarHBondContact CD1-O 3.33Å; R110-H112 WeakPolarHBondContact CD-CE1 3.37Å; R110-H112 PolarHBondContact NE-CE1 3.2Å; R110-E127 VanDerWaalsContact CZ-CD 3.44Å; R110-E127 VanDerWaalsContact CZ-CG 3.43Å; R110-E127 IonicContact CZ-OE1 3.39Å; R110-E127 IonicContact NH1-OE1 2.89Å; R110-E127 PolarHBondContact NH1-OE1 2.87Å; R110-E127 IonicContact NH1-OE2 3.3Å; R110-E127 PolarHBondContact NH1-OE2 2.9Å; R110-E127 IonicContact NH2-OE1 3.27Å; R110-E127 PolarHBondContact NH2-OE1 3.23Å
111G98.5Very high97.4Very high6 Ų670.8 Ų70.86%0.06235%0.346CS..EExtended strand (participates in β ladder)trans-101.6149.4166.900000111
112H98.6Very high97.4Very high22 Ų2269.6 Ų69.610%0.10234%0.339CS..EExtended strand (participates in β ladder)trans-130.7138.4-178.7-57.7-94.6000110.2R5 M97 Y98 G99 D101 R110R5-H112 PolarHBondContact NH2-CE1 2.64Å; R5-H112 PolarHBondContact NH2-NE2 3.1Å; M97-H112 HydrophobicContact CE-CB 3.77Å; M97-H112 HydrophobicContact SD-CB 3.92Å; Y98-H112 WeakPolarHBondContact CA-O 3.35Å; Y98-H112 VanDerWaalsContact CB-O 3.28Å; Y98-H112 WeakPolarHBondContact CB-O 3.49Å; G99-H112 PolarHBondContact N-O 3.39Å; G99-H112 PolarHBondContact O-N 3.1Å; D101-H112 IonicContact OD1-CD2 3.54Å; D101-H112 IonicContact OD1-NE2 3.44Å; D101-H112 IonicContact OD2-CD2 3.57Å; D101-H112 IonicContact OD2-CE1 3.25Å; D101-H112 IonicContact OD2-NE2 2.83Å; D101-H112 PolarHBondContact OD2-NE2 2.91Å; R110-H112 WeakPolarHBondContact CD-CE1 3.37Å; R110-H112 PolarHBondContact NE-CE1 3.2Å
113N98.6Very high97.4Very high8 Ų869.8 Ų69.84%0.04334%0.34CS..EExtended strand (participates in β ladder)trans-156.3109.5164.8-171.2-92000108.3M97 Y98 Y115 L125 L155M97-N113 CarbonylContact O-C 3.57Å; M97-N113 WeakPolarHBondContact O-CA 3.13Å; Y98-N113 WeakPolarHBondContact CB-ND2 3.21Å; N113-Y115 VanDerWaalsContact OD1-CE2 3.24Å; N113-Y115 WeakPolarHBondContact OD1-CE2 3.43Å; N113-L125 HydrophobicContact CB-CB 3.92Å; N113-L125 HydrophobicContact CB-CD2 4.14Å; N113-L125 WeakPolarHBondContact O-CB 3.49Å; N113-L125 PolarHBondContact O-N 3.13Å; N113-L155 HydrophobicContact CB-CD1 4.15Å
114Q98.6Very high97.6Very high88 Ų8870.9 Ų70.941%0.41135%0.348SS..EExtended strand (participates in β ladder)trans-140.2146.7-175.765.2-170.720.500111.1S96 M97 A124S96-Q114 CarbonylContact C-O 3.58Å; S96-Q114 WeakPolarHBondContact CA-O 3.35Å; S96-Q114 VanDerWaalsContact CB-O 3.31Å; S96-Q114 WeakPolarHBondContact CB-O 3.45Å; M97-Q114 HydrophobicContact CB-CG 3.97Å; M97-Q114 VanDerWaalsContact CE-CD 3.45Å; M97-Q114 HydrophobicContact CE-CG 3.96Å; M97-Q114 PolarHBondContact N-O 3.27Å; M97-Q114 PolarHBondContact O-N 2.92Å; Q114-A124 HydrophobicContact CB-CB 3.93Å
115Y98.8Very high97.8Very high70 Ų7059.9 Ų59.928%0.27531%0.307SS..EExtended strand (participates in β ladder)trans-123.1144.1179-66-98.1000110.5Y73 L94 Q95 N113 Y122 I123Y73-Y115 WeakPolarHBondContact OH-CE1 3.43Å; L94-Y115 HydrophobicContact CD1-CD1 4.23Å; Q95-Y115 CarbonylContact O-C 3.55Å; Q95-Y115 VanDerWaalsContact O-CA 3.28Å; Q95-Y115 WeakPolarHBondContact O-CA 3.41Å; N113-Y115 VanDerWaalsContact OD1-CE2 3.24Å; N113-Y115 WeakPolarHBondContact OD1-CE2 3.43Å; Y115-Y122 WeakPolarHBondContact O-CB 3.44Å; Y115-Y122 PolarHBondContact O-N 3.49Å; Y115-I123 HydrophobicContact CD2-CG2 3.9Å; Y115-I123 HydrophobicContact CG-CG2 4.35Å; Y115-I123 PolarHBondContact N-O 3.27Å; Y115-I123 PolarHBondContact O-N 2.85Å
116A98.8Very high98.1Very high18 Ų1856.8 Ų56.815%0.14929%0.291CS..EExtended strand (participates in β ladder)trans-127.2143.4171.800000110.3L94 Q95 K120L94-A116 WeakPolarHBondContact CD1-O 3.24Å; Q95-A116 HydrophobicContact CB-CB 4.43Å; Q95-A116 PolarHBondContact N-O 3.36Å; Q95-A116 PolarHBondContact O-N 3.29Å; A116-K120 CarbonylContact C-O 3.58Å; A116-K120 WeakPolarHBondContact CA-O 3.41Å; A116-K120 VanDerWaalsContact CB-O 3.28Å; A116-K120 WeakPolarHBondContact CB-O 3.3Å
117Y98.8Very high98.3Very high11 Ų1162.6 Ų62.64%0.04331%0.314CS..EExtended strand (participates in β ladder)trans-124.7126.9176.1-173-123.3000110L77 L80 Y84 Q86 H92 T93 L94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4Å; L80-Y117 HydrophobicContact CB-CD1 4.39Å; L80-Y117 HydrophobicContact CB-CD2 4.23Å; L80-Y117 HydrophobicContact CB-CE1 4Å; L80-Y117 HydrophobicContact CB-CE2 3.86Å; L80-Y117 HydrophobicContact CB-CG 4.48Å; L80-Y117 HydrophobicContact CD1-CD2 3.61Å; L80-Y117 HydrophobicContact CD1-CE2 3.91Å; L80-Y117 HydrophobicContact CD1-CG 4.06Å; L80-Y117 HydrophobicContact CG-CD2 4.44Å; L80-Y117 HydrophobicContact CG-CE2 4.5Å; Y84-Y117 AromaticContact CD2-CD1 3.7Å; Y84-Y117 HydrophobicContact CD2-CD1 3.7Å; Y84-Y117 AromaticContact CD2-CE1 3.52Å; Y84-Y117 HydrophobicContact CD2-CE1 3.52Å; Y84-Y117 AromaticContact CE2-CD1 3.52Å; Y84-Y117 HydrophobicContact CE2-CD1 3.52Å; Y84-Y117 AromaticContact CE2-CE1 3.87Å; Y84-Y117 HydrophobicContact CE2-CE1 3.87Å; Y84-Y117 HydrophobicContact CG-CE1 4.36Å; Q86-Y117 PolarHBondContact OE1-OH 2.9Å; H92-Y117 HydrophobicContact CB-CE2 3.85Å; H92-Y117 WeakPolarHBondContact CB-OH 3.33Å; H92-Y117 VanDerWaalsContact CG-OH 3.27Å; H92-Y117 PolarHBondContact ND1-OH 3.42Å; T93-Y117 WeakPolarHBondContact O-CA 3.17Å; T93-Y117 WeakPolarHBondContact O-CD2 3.2Å; L94-Y117 HydrophobicContact CB-CD2 4.43Å; Y117-G119 PolarHBondContact O-N 3.39Å; Y117-K120 PolarHBondContact N-O 2.77Å; Y117-K120 PolarHBondContact O-N 2.89Å
118D98.4Very high98.4Very high65 Ų6558.1 Ų58.135%0.34830%0.303SS..THydrogen-bonded Turntrans49.340.3-174.4-66.1-22.4000113.2Q86 H92 T93 K120Q86-D118 PolarHBondContact NE2-OD2 2.86Å; H92-D118 WeakPolarHBondContact CA-OD1 3.43Å; H92-D118 IonicContact CE1-OD2 3.76Å; H92-D118 IonicContact CG-OD1 3.67Å; H92-D118 IonicContact CG-OD2 2.86Å; H92-D118 IonicContact ND1-OD1 2.77Å; H92-D118 IonicContact ND1-OD2 3.91Å; H92-D118 PolarHBondContact ND1-OD2 3.3Å; T93-D118 PolarHBondContact N-OD1 2.83Å; T93-D118 PolarHBondContact O-N 2.82Å; D118-K120 VanDerWaalsContact C-N 3.31Å; D118-K120 PolarHBondContact O-N 2.96Å
119G97.7Very high98.4Very high60 Ų6056.3 Ų56.362%0.61929%0.293SS*.THydrogen-bonded Turntrans77.97.717700000115.3Y117Y117-G119 PolarHBondContact O-N 3.39Å
120K98.6Very high98.4Very high162 Ų16258.7 Ų58.770%0.70429%0.294SS*.EExtended strand (participates in β ladder)trans-114.2148.3175.9-61.9-178.3-177.4178.30110.8A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.58Å; A116-K120 WeakPolarHBondContact CA-O 3.41Å; A116-K120 VanDerWaalsContact CB-O 3.28Å; A116-K120 WeakPolarHBondContact CB-O 3.3Å; Y117-K120 PolarHBondContact N-O 2.77Å; Y117-K120 PolarHBondContact O-N 2.89Å; D118-K120 VanDerWaalsContact C-N 3.31Å; D118-K120 PolarHBondContact O-N 2.96Å; K120-Y122 PolarHBondContact O-N 2.79Å
121D98.7Very high98.5Very high135 Ų13555.9 Ų55.972%0.72229%0.29SS*.EExtended strand (participates in β ladder)trans-54.2136.6173.7-66.2-16.4000110.5A135D121-A135 HydrophobicContact CB-CB 4.29Å; D121-A135 WeakPolarHBondContact O-CB 3.49Å
122Y98.8Very high98.5Very high8 Ų856.2 Ų56.23%0.03129%0.289CS..EExtended strand (participates in β ladder)trans-115.2-64.2178.6-179.7-109.9000110.5L80 Y84 Y115 K120 A135 A138 A139 S142L80-Y122 HydrophobicContact CD2-CD1 4.36Å; L80-Y122 HydrophobicContact CD2-CD2 4.12Å; L80-Y122 HydrophobicContact CD2-CE1 3.77Å; L80-Y122 HydrophobicContact CD2-CE2 3.47Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.47Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.39Å; Y84-Y122 HydrophobicContact CE2-CD2 4.3Å; Y84-Y122 AromaticContact CE2-CE2 3.98Å; Y84-Y122 HydrophobicContact CE2-CE2 3.98Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.32Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.18Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.32Å; Y115-Y122 WeakPolarHBondContact O-CB 3.44Å; Y115-Y122 PolarHBondContact O-N 3.49Å; K120-Y122 PolarHBondContact O-N 2.79Å; Y122-A135 WeakPolarHBondContact O-CB 3.47Å; Y122-A135 PolarHBondContact O-N 2.87Å; Y122-A138 PolarHBondContact OH-O 3.39Å; Y122-A139 HydrophobicContact CD2-CB 3.78Å; Y122-A139 HydrophobicContact CE1-CB 4.47Å; Y122-A139 VanDerWaalsContact CE2-CA 3.46Å; Y122-A139 HydrophobicContact CE2-CB 3.65Å; Y122-A139 HydrophobicContact CG-CB 4.26Å; Y122-A139 WeakPolarHBondContact O-CB 3.32Å; Y122-S142 WeakPolarHBondContact OH-CB 3.39Å; Y122-S142 PolarHBondContact OH-OG 2.86Å
123I98.8Very high98.5Very high5 Ų558.9 Ų58.93%0.02631%0.307CS..EExtended strand (participates in β ladder)trans-151.2141.8178.4-163.7169.5000110.7Y115 W132 T133 Q143 L146Y115-I123 HydrophobicContact CD2-CG2 3.9Å; Y115-I123 HydrophobicContact CG-CG2 4.35Å; Y115-I123 PolarHBondContact N-O 3.27Å; Y115-I123 PolarHBondContact O-N 2.85Å; I123-W132 HydrophobicContact CD1-CB 4.22Å; I123-W132 HydrophobicContact CD1-CD2 4.47Å; I123-W132 HydrophobicContact CD1-CE3 4.23Å; I123-W132 HydrophobicContact CD1-CG 4.5Å; I123-W132 HydrophobicContact CG1-CB 4.3Å; I123-W132 HydrophobicContact CG1-CE3 4.02Å; I123-T133 WeakPolarHBondContact CA-O 3.49Å; I123-T133 WeakPolarHBondContact CG1-O 3.39Å; I123-Q143 HydrophobicContact CD1-CB 3.76Å; I123-L146 HydrophobicContact CD1-CD1 3.85Å
124A98.8Very high98.5Very high30 Ų3059.6 Ų59.625%0.24831%0.314CS..EExtended strand (participates in β ladder)trans-134.4141.8178.600000111.8Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.93Å; A124-W132 CarbonylContact O-C 3.57Å; A124-W132 WeakPolarHBondContact O-CA 3.43Å; A124-T133 PolarHBondContact N-O 3.28Å; A124-T133 PolarHBondContact O-N 3.3Å
125L98.8Very high98.5Very high14 Ų1458.2 Ų58.27%0.07332%0.318CS..EExtended strand (participates in β ladder)trans-72.4129168.4-17668.8000108.6N113 L129 W132 A152 L155 L159N113-L125 HydrophobicContact CB-CB 3.92Å; N113-L125 HydrophobicContact CB-CD2 4.14Å; N113-L125 WeakPolarHBondContact O-CB 3.49Å; N113-L125 PolarHBondContact O-N 3.13Å; L125-L129 HydrophobicContact CD2-CB 4.5Å; L125-L129 HydrophobicContact CD2-CD2 3.74Å; L125-L129 HydrophobicContact CG-CD2 4.29Å; L125-W132 HydrophobicContact CB-CE3 4.07Å; L125-W132 HydrophobicContact CB-CH2 4.24Å; L125-W132 HydrophobicContact CB-CZ3 3.83Å; L125-W132 HydrophobicContact CD1-CD2 4.21Å; L125-W132 HydrophobicContact CD1-CE3 4.4Å; L125-W132 HydrophobicContact CD1-CH2 4.23Å; L125-W132 HydrophobicContact CD1-CZ2 4Å; L125-W132 HydrophobicContact CD1-CZ3 4.42Å; L125-A152 HydrophobicContact CD1-CB 3.89Å; L125-L155 HydrophobicContact CD2-CB 4.2Å; L125-L155 HydrophobicContact CD2-CD1 4.35Å; L125-L159 HydrophobicContact CD2-CD1 3.92Å
126N98.7Very high98.5Very high43 Ų4357.6 Ų57.623%0.2332%0.319CS..  trans-73.9164.2179.8-66.9-27.6000111.4D128 L129 S131 T133N126-D128 PolarHBondContact O-N 3.43Å; N126-D128 VanDerWaalsContact O-N 3.1Å; N126-L129 PolarHBondContact O-N 3.48Å; N126-S131 WeakPolarHBondContact CB-O 3.26Å; N126-S131 WeakPolarHBondContact CB-OG 3.45Å; N126-S131 PolarHBondContact N-O 3.43Å; N126-S131 PolarHBondContact ND2-OG 3.41Å; N126-T133 PolarHBondContact ND2-OG1 3.5Å; N126-T133 WeakPolarHBondContact OD1-CB 3.5Å; N126-T133 PolarHBondContact OD1-OG1 3.05Å
127E97.8Very high98.4Very high137 Ų13762 Ų6264%0.6435%0.345SS*.THydrogen-bonded Turntrans-60.2-22.8-178.8-67.6179.4-158.900113.9R110 L129R110-E127 VanDerWaalsContact CZ-CD 3.44Å; R110-E127 VanDerWaalsContact CZ-CG 3.43Å; R110-E127 IonicContact CZ-OE1 3.39Å; R110-E127 IonicContact NH1-OE1 2.89Å; R110-E127 PolarHBondContact NH1-OE1 2.87Å; R110-E127 IonicContact NH1-OE2 3.3Å; R110-E127 PolarHBondContact NH1-OE2 2.9Å; R110-E127 IonicContact NH2-OE1 3.27Å; R110-E127 PolarHBondContact NH2-OE1 3.23Å; E127-L129 PolarHBondContact O-N 3.21Å
128D97.8Very high98.4Very high79 Ų7961.8 Ų61.842%0.42235%0.345SS..THydrogen-bonded Turntrans-70.8-8.5174.668.84.7000113.5N126 R130 S131N126-D128 PolarHBondContact O-N 3.43Å; N126-D128 VanDerWaalsContact O-N 3.1Å; D128-R130 VanDerWaalsContact O-CG 3.32Å; D128-R130 WeakPolarHBondContact O-CG 3.38Å; D128-R130 PolarHBondContact O-N 2.82Å; D128-R130 PolarHBondContact OD1-N 3.24Å; D128-S131 VanDerWaalsContact CG-OG 3.23Å; D128-S131 PolarHBondContact OD1-N 3.49Å; D128-S131 PolarHBondContact OD1-OG 3.36Å; D128-S131 VanDerWaalsContact OD1-OG 3.12Å; D128-S131 WeakPolarHBondContact OD2-CB 3.05Å; D128-S131 PolarHBondContact OD2-OG 3.23Å
129L98.3Very high98.4Very high8 Ų858.7 Ų58.74%0.04233%0.328CS..SBendtrans5329.3-175.1-53.3-177.8000113.4L108 L125 N126 E127 R156 L159 E160L108-L129 HydrophobicContact CD2-CD1 4.17Å; L125-L129 HydrophobicContact CD2-CB 4.5Å; L125-L129 HydrophobicContact CD2-CD2 3.74Å; L125-L129 HydrophobicContact CG-CD2 4.29Å; N126-L129 PolarHBondContact O-N 3.48Å; E127-L129 PolarHBondContact O-N 3.21Å; L129-R156 HydrophobicContact CB-CB 4.06Å; L129-R156 HydrophobicContact CB-CG 3.88Å; L129-R156 HydrophobicContact CD1-CG 4.13Å; L129-L159 HydrophobicContact CD1-CB 4.47Å; L129-L159 HydrophobicContact CD2-CD1 3.94Å; L129-E160 HydrophobicContact CD1-CG 4.38Å
130R97.8Very high98.4Very high166 Ų16659.4 Ų59.463%0.62632%0.316SS*.SBendtrans-135.3-32.8-174-71.3168.5-175-97.512.6112.5D128 A152 R156D128-R130 VanDerWaalsContact O-CG 3.32Å; D128-R130 WeakPolarHBondContact O-CG 3.38Å; D128-R130 PolarHBondContact O-N 2.82Å; D128-R130 PolarHBondContact OD1-N 3.24Å; R130-A152 WeakPolarHBondContact O-CB 3.32Å; R130-R156 VanDerWaalsContact CZ-NH1 3.34Å
131S98.3Very high98.4Very high39 Ų3954.6 Ų54.627%0.27330%0.297SS..  trans-115.7164-177.464.40000111.9N126 D128N126-S131 WeakPolarHBondContact CB-O 3.26Å; N126-S131 WeakPolarHBondContact CB-OG 3.45Å; N126-S131 PolarHBondContact N-O 3.43Å; N126-S131 PolarHBondContact ND2-OG 3.41Å; D128-S131 VanDerWaalsContact CG-OG 3.23Å; D128-S131 PolarHBondContact OD1-N 3.49Å; D128-S131 PolarHBondContact OD1-OG 3.36Å; D128-S131 VanDerWaalsContact OD1-OG 3.12Å; D128-S131 WeakPolarHBondContact OD2-CB 3.05Å; D128-S131 PolarHBondContact OD2-OG 3.23Å
132W98.8Very high98.4Very high12 Ų1249.3 Ų49.35%0.04527%0.27CS..EExtended strand (participates in β ladder)trans-121.2147.3-177.5-60.889.7000110.8I123 A124 L125 Q143 L146 V151 A152 L155I123-W132 HydrophobicContact CD1-CB 4.22Å; I123-W132 HydrophobicContact CD1-CD2 4.47Å; I123-W132 HydrophobicContact CD1-CE3 4.23Å; I123-W132 HydrophobicContact CD1-CG 4.5Å; I123-W132 HydrophobicContact CG1-CB 4.3Å; I123-W132 HydrophobicContact CG1-CE3 4.02Å; A124-W132 CarbonylContact O-C 3.57Å; A124-W132 WeakPolarHBondContact O-CA 3.43Å; L125-W132 HydrophobicContact CB-CE3 4.07Å; L125-W132 HydrophobicContact CB-CH2 4.24Å; L125-W132 HydrophobicContact CB-CZ3 3.83Å; L125-W132 HydrophobicContact CD1-CD2 4.21Å; L125-W132 HydrophobicContact CD1-CE3 4.4Å; L125-W132 HydrophobicContact CD1-CH2 4.23Å; L125-W132 HydrophobicContact CD1-CZ2 4Å; L125-W132 HydrophobicContact CD1-CZ3 4.42Å; W132-Q143 HydrophobicContact CB-CG 4.13Å; W132-Q143 PolarHBondContact O-NE2 3.21Å; W132-L146 HydrophobicContact CD2-CD1 4.04Å; W132-L146 HydrophobicContact CE3-CD1 4.08Å; W132-L146 HydrophobicContact CH2-CD1 3.91Å; W132-L146 HydrophobicContact CZ2-CB 4.26Å; W132-L146 HydrophobicContact CZ2-CD1 3.88Å; W132-L146 HydrophobicContact CZ3-CD1 4.03Å; W132-V151 HydrophobicContact CZ2-CB 4.4Å; W132-V151 HydrophobicContact CZ2-CG1 4.28Å; W132-A152 HydrophobicContact CZ2-CB 4.36Å; W132-L155 HydrophobicContact CH2-CD1 3.39Å; W132-L155 HydrophobicContact CZ2-CD1 3.82Å; W132-L155 HydrophobicContact CZ3-CD1 4.49Å
133T98.8Very high98.4Very high79 Ų7950.9 Ų50.949%0.48528%0.278SS..EExtended strand (participates in β ladder)trans-109.6115.5166.5-64.90000108.9I123 A124 N126I123-T133 WeakPolarHBondContact CA-O 3.49Å; I123-T133 WeakPolarHBondContact CG1-O 3.39Å; A124-T133 PolarHBondContact N-O 3.28Å; A124-T133 PolarHBondContact O-N 3.3Å; N126-T133 PolarHBondContact ND2-OG1 3.5Å; N126-T133 WeakPolarHBondContact OD1-CB 3.5Å; N126-T133 PolarHBondContact OD1-OG1 3.05Å
134A98.7Very high98.3Very high22 Ų2258.2 Ų58.218%0.18231%0.306CS..EExtended strand (participates in β ladder)trans-93.7133.9174.100000110.5A139 Q140 Q143A134-A139 HydrophobicContact CB-CB 3.75Å; A134-Q140 HydrophobicContact CB-CG 3.96Å; A134-Q143 HydrophobicContact CB-CB 4.37Å
135A98.6Very high98.3Very high60 Ų6062.3 Ų62.350%0.49632%0.318SS..SBendtrans-76.7-30.3-175.400000113.5D121 Y122D121-A135 HydrophobicContact CB-CB 4.29Å; D121-A135 WeakPolarHBondContact O-CB 3.49Å; Y122-A135 WeakPolarHBondContact O-CB 3.47Å; Y122-A135 PolarHBondContact O-N 2.87Å
136D98.3Very high98.3Very high56 Ų5663.5 Ų63.530%0.29932%0.324SS..SBendtrans-150.4-175.9-17966.227.6000112.7Y84 A138 A139 Q140Y84-D136 VanDerWaalsContact CE1-OD2 3.25Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.37Å; Y84-D136 VanDerWaalsContact OH-CG 3.26Å; Y84-D136 PolarHBondContact OH-OD1 3.27Å; Y84-D136 PolarHBondContact OH-OD2 3.43Å; D136-A138 VanDerWaalsContact C-N 3.31Å; D136-A138 PolarHBondContact O-N 3.4Å; D136-A138 WeakPolarHBondContact OD1-CA 3.47Å; D136-A138 WeakPolarHBondContact OD1-CB 3.44Å; D136-A138 PolarHBondContact OD1-N 3.3Å; D136-A139 PolarHBondContact O-N 2.86Å; D136-A139 PolarHBondContact OD1-N 3.35Å; D136-Q140 WeakPolarHBondContact O-CG 3.48Å; D136-Q140 PolarHBondContact O-N 2.87Å; D136-Q140 VanDerWaalsContact O-N 3.08Å
137T97.9Very high98.2Very high111 Ų11165.9 Ų65.968%0.68133%0.334SS*.Hα-helixtrans-67.1-28.4-178.951.40000113.6
138A97.5Very high98.3Very high6 Ų663.6 Ų63.65%0.0534%0.338CS..Hα-helixtrans-71.6-43.7174.200000110.2Y84 Y122 D136 Q140 I141Y84-A138 HydrophobicContact CD1-CB 4.12Å; Y84-A138 HydrophobicContact CD2-CB 4.37Å; Y84-A138 HydrophobicContact CE1-CB 3.6Å; Y84-A138 HydrophobicContact CE2-CB 3.88Å; Y84-A138 HydrophobicContact CG-CB 4.49Å; Y84-A138 VanDerWaalsContact CZ-CB 3.46Å; Y122-A138 PolarHBondContact OH-O 3.39Å; D136-A138 VanDerWaalsContact C-N 3.31Å; D136-A138 PolarHBondContact O-N 3.4Å; D136-A138 WeakPolarHBondContact OD1-CA 3.47Å; D136-A138 WeakPolarHBondContact OD1-CB 3.44Å; D136-A138 PolarHBondContact OD1-N 3.3Å; A138-Q140 VanDerWaalsContact C-N 3.26Å; A138-Q140 PolarHBondContact O-N 3.47Å; A138-I141 VanDerWaalsContact O-CB 3.24Å; A138-I141 WeakPolarHBondContact O-CB 3.39Å; A138-I141 PolarHBondContact O-N 3.36Å
139A98.4Very high98.3Very high0 Ų062.6 Ų62.60%034%0.341CS..Hα-helixtrans-60.8-32.4174.500000113.4Y122 A134 D136 I141 S142 Q143Y122-A139 HydrophobicContact CD2-CB 3.78Å; Y122-A139 HydrophobicContact CE1-CB 4.47Å; Y122-A139 VanDerWaalsContact CE2-CA 3.46Å; Y122-A139 HydrophobicContact CE2-CB 3.65Å; Y122-A139 HydrophobicContact CG-CB 4.26Å; Y122-A139 WeakPolarHBondContact O-CB 3.32Å; A134-A139 HydrophobicContact CB-CB 3.75Å; D136-A139 PolarHBondContact O-N 2.86Å; D136-A139 PolarHBondContact OD1-N 3.35Å; A139-I141 PolarHBondContact O-N 3.16Å; A139-S142 WeakPolarHBondContact O-CB 3.25Å; A139-S142 PolarHBondContact O-N 3.04Å; A139-S142 VanDerWaalsContact O-N 3.07Å; A139-Q143 PolarHBondContact O-N 3.44Å
140Q98.7Very high98.2Very high76 Ų7669.8 Ų69.836%0.35537%0.368SS..Hα-helixtrans-61.3-26.9173.5-72.8173.88.100113A134 D136 A138 Q143 R144A134-Q140 HydrophobicContact CB-CG 3.96Å; D136-Q140 WeakPolarHBondContact O-CG 3.48Å; D136-Q140 PolarHBondContact O-N 2.87Å; D136-Q140 VanDerWaalsContact O-N 3.08Å; A138-Q140 VanDerWaalsContact C-N 3.26Å; A138-Q140 PolarHBondContact O-N 3.47Å; Q140-Q143 PolarHBondContact O-N 2.85Å; Q140-R144 WeakPolarHBondContact O-CG 3.44Å; Q140-R144 PolarHBondContact O-N 3.33Å; Q140-R144 VanDerWaalsContact O-N 3.14Å
141I98.2Very high98.3Very high60 Ų6063.5 Ų63.531%0.30835%0.348SS..Hα-helixtrans-65.4-45.7173.6-59.5167.8000109.7Y83 A138 A139 K145Y83-I141 HydrophobicContact CD1-CD1 4.16Å; Y83-I141 HydrophobicContact CD2-CB 4.46Å; Y83-I141 HydrophobicContact CE1-CG2 4.08Å; Y83-I141 HydrophobicContact CE2-CB 4.26Å; Y83-I141 HydrophobicContact CE2-CG2 3.96Å; Y83-I141 HydrophobicContact CG-CD1 4.15Å; A138-I141 VanDerWaalsContact O-CB 3.24Å; A138-I141 WeakPolarHBondContact O-CB 3.39Å; A138-I141 PolarHBondContact O-N 3.36Å; A139-I141 PolarHBondContact O-N 3.16Å; I141-K145 WeakPolarHBondContact O-CG 3.42Å; I141-K145 PolarHBondContact O-N 2.96Å
142S97.9Very high98.3Very high24 Ų2462 Ų6217%0.16834%0.337CS..Hα-helixtrans-63.9-44.5174.2-75.30000111.6Y122 A139 R144 K145 L146Y122-S142 WeakPolarHBondContact OH-CB 3.39Å; Y122-S142 PolarHBondContact OH-OG 2.86Å; A139-S142 WeakPolarHBondContact O-CB 3.25Å; A139-S142 PolarHBondContact O-N 3.04Å; A139-S142 VanDerWaalsContact O-N 3.07Å; S142-R144 PolarHBondContact O-N 2.88Å; S142-K145 WeakPolarHBondContact O-CB 2.99Å; S142-K145 PolarHBondContact O-N 2.87Å; S142-K145 VanDerWaalsContact O-N 3.08Å; S142-L146 WeakPolarHBondContact O-CG 3.49Å; S142-L146 PolarHBondContact O-N 3.32Å
143Q98.6Very high98.2Very high42 Ų4267 Ų6720%0.19636%0.361CS..Hα-helixtrans-51.9-52.3178.5178.3173.49.200112I123 W132 A134 A139 Q140 K145 L146 E147I123-Q143 HydrophobicContact CD1-CB 3.76Å; W132-Q143 HydrophobicContact CB-CG 4.13Å; W132-Q143 PolarHBondContact O-NE2 3.21Å; A134-Q143 HydrophobicContact CB-CB 4.37Å; A139-Q143 PolarHBondContact O-N 3.44Å; Q140-Q143 PolarHBondContact O-N 2.85Å; Q143-K145 VanDerWaalsContact C-N 3.25Å; Q143-K145 PolarHBondContact O-N 3.34Å; Q143-L146 PolarHBondContact O-N 2.83Å; Q143-L146 VanDerWaalsContact O-N 3.12Å; Q143-E147 HydrophobicContact CG-CG 4.34Å; Q143-E147 VanDerWaalsContact CG-OE1 3.27Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.28Å; Q143-E147 PolarHBondContact NE2-OE1 3.12Å; Q143-E147 WeakPolarHBondContact O-CG 3.2Å; Q143-E147 PolarHBondContact O-N 2.64Å
144R98.6Very high98.2Very high158 Ų15869.6 Ų69.660%0.59637%0.368SS*.Hα-helixtrans-58.9-36.8-179.9-68.5170.3-169.2148.67.4112.5Q140 S142 A148Q140-R144 WeakPolarHBondContact O-CG 3.44Å; Q140-R144 PolarHBondContact O-N 3.33Å; Q140-R144 VanDerWaalsContact O-N 3.14Å; S142-R144 PolarHBondContact O-N 2.88Å; R144-A148 VanDerWaalsContact O-CB 3.27Å; R144-A148 WeakPolarHBondContact O-CB 3.44Å; R144-A148 PolarHBondContact O-N 2.84Å
145K97.7Very high98.2Very high116 Ų11670.1 Ų70.150%0.50437%0.367SS..Hα-helixtrans-68.9-44.2176.6-69.2178.1175.7-173.70111.8Y83 I141 S142 Q143 E147 A148 A149Y83-K145 PolarHBondContact OH-NZ 3.41Å; I141-K145 WeakPolarHBondContact O-CG 3.42Å; I141-K145 PolarHBondContact O-N 2.96Å; S142-K145 WeakPolarHBondContact O-CB 2.99Å; S142-K145 PolarHBondContact O-N 2.87Å; S142-K145 VanDerWaalsContact O-N 3.08Å; Q143-K145 VanDerWaalsContact C-N 3.25Å; Q143-K145 PolarHBondContact O-N 3.34Å; K145-E147 VanDerWaalsContact C-N 3.34Å; K145-A148 PolarHBondContact O-N 3.18Å; K145-A149 WeakPolarHBondContact O-CB 3.48Å; K145-A149 PolarHBondContact O-N 2.8Å
146L98.1Very high98.2Very high40 Ų4070.6 Ų70.621%0.20936%0.356CS..Hα-helixtrans-64.2-40.4178.7-64.9175.7000111.5I123 W132 S142 Q143 A149 R150 V151I123-L146 HydrophobicContact CD1-CD1 3.85Å; W132-L146 HydrophobicContact CD2-CD1 4.04Å; W132-L146 HydrophobicContact CE3-CD1 4.08Å; W132-L146 HydrophobicContact CH2-CD1 3.91Å; W132-L146 HydrophobicContact CZ2-CB 4.26Å; W132-L146 HydrophobicContact CZ2-CD1 3.88Å; W132-L146 HydrophobicContact CZ3-CD1 4.03Å; S142-L146 WeakPolarHBondContact O-CG 3.49Å; S142-L146 PolarHBondContact O-N 3.32Å; Q143-L146 PolarHBondContact O-N 2.83Å; Q143-L146 VanDerWaalsContact O-N 3.12Å; L146-A149 CarbonylContact O-C 3.57Å; L146-A149 PolarHBondContact O-N 2.63Å; L146-R150 PolarHBondContact O-N 2.95Å; L146-V151 HydrophobicContact CB-CB 4.27Å; L146-V151 HydrophobicContact CB-CG2 4.4Å; L146-V151 HydrophobicContact CD2-CB 3.91Å; L146-V151 HydrophobicContact CD2-CG1 4.01Å; L146-V151 HydrophobicContact CD2-CG2 3.74Å; L146-V151 PolarHBondContact O-N 3.08Å
147E98.4Very high98.2Very high92 Ų9271 Ų7143%0.4337%0.368SS..Hα-helixtrans-66-47.8175.9-72.3169.817400111.4Q143 K145 A149 R150Q143-E147 HydrophobicContact CG-CG 4.34Å; Q143-E147 VanDerWaalsContact CG-OE1 3.27Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.28Å; Q143-E147 PolarHBondContact NE2-OE1 3.12Å; Q143-E147 WeakPolarHBondContact O-CG 3.2Å; Q143-E147 PolarHBondContact O-N 2.64Å; K145-E147 VanDerWaalsContact C-N 3.34Å; E147-A149 VanDerWaalsContact C-N 3.26Å; E147-A149 PolarHBondContact O-N 3.15Å; E147-R150 PolarHBondContact O-N 3.43Å
148A98.4Very high98.2Very high89 Ų8968.4 Ų68.474%0.73635%0.346SS*.Hα-helixtrans-60.1-36.6177.400000112.5R144 K145 R150R144-A148 VanDerWaalsContact O-CB 3.27Å; R144-A148 WeakPolarHBondContact O-CB 3.44Å; R144-A148 PolarHBondContact O-N 2.84Å; K145-A148 PolarHBondContact O-N 3.18Å; A148-R150 VanDerWaalsContact C-N 3.34Å
149A97.9Very high98.2Very high58 Ų5868.2 Ų68.248%0.47934%0.344SS..THydrogen-bonded Turntrans-87.72.7177.100000114K145 L146 E147 V151K145-A149 WeakPolarHBondContact O-CB 3.48Å; K145-A149 PolarHBondContact O-N 2.8Å; L146-A149 CarbonylContact O-C 3.57Å; L146-A149 PolarHBondContact O-N 2.63Å; E147-A149 VanDerWaalsContact C-N 3.26Å; E147-A149 PolarHBondContact O-N 3.15Å; A149-V151 HydrophobicContact CB-CG2 3.91Å; A149-V151 PolarHBondContact O-N 2.88Å
150R97.8Very high98.2Very high160 Ų16072.6 Ų72.660%0.60437%0.365SS*.THydrogen-bonded Turntrans51.638.1-178.7-57.3-175.3175.9-154.43.2114L146 E147 A148 A152 E153L146-R150 PolarHBondContact O-N 2.95Å; E147-R150 PolarHBondContact O-N 3.43Å; A148-R150 VanDerWaalsContact C-N 3.34Å; R150-A152 PolarHBondContact O-N 3.31Å; R150-E153 HydrophobicContact CB-CG 4.36Å; R150-E153 IonicContact NH1-OE1 3.9Å; R150-E153 IonicContact NH1-OE2 3.38Å; R150-E153 WeakPolarHBondContact O-CB 3.42Å; R150-E153 PolarHBondContact O-N 3.01Å; R150-E153 VanDerWaalsContact O-N 3.09Å
151V98.2Very high98.2Very high34 Ų3470 Ų7021%0.20636%0.358CS..Hα-helixtrans-62.9-30.7-175.3178.30000112.2W132 L146 A149 E153 Q154 L155W132-V151 HydrophobicContact CZ2-CB 4.4Å; W132-V151 HydrophobicContact CZ2-CG1 4.28Å; L146-V151 HydrophobicContact CB-CB 4.27Å; L146-V151 HydrophobicContact CB-CG2 4.4Å; L146-V151 HydrophobicContact CD2-CB 3.91Å; L146-V151 HydrophobicContact CD2-CG1 4.01Å; L146-V151 HydrophobicContact CD2-CG2 3.74Å; L146-V151 PolarHBondContact O-N 3.08Å; A149-V151 HydrophobicContact CB-CG2 3.91Å; A149-V151 PolarHBondContact O-N 2.88Å; V151-E153 VanDerWaalsContact C-N 3.26Å; V151-E153 PolarHBondContact O-N 3.23Å; V151-Q154 PolarHBondContact O-N 2.72Å; V151-L155 HydrophobicContact CG1-CD1 4.01Å; V151-L155 HydrophobicContact CG1-CG 4.2Å; V151-L155 PolarHBondContact O-N 3.43Å
152A98.4Very high98.2Very high7 Ų772.1 Ų72.16%0.05837%0.367CS..Hα-helixtrans-58.9-36.4175.900000112.5L125 R130 W132 R150 Q154 L155 R156L125-A152 HydrophobicContact CD1-CB 3.89Å; R130-A152 WeakPolarHBondContact O-CB 3.32Å; W132-A152 HydrophobicContact CZ2-CB 4.36Å; R150-A152 PolarHBondContact O-N 3.31Å; A152-Q154 PolarHBondContact O-N 3.47Å; A152-L155 PolarHBondContact O-N 3.46Å; A152-R156 WeakPolarHBondContact O-CB 3.44Å; A152-R156 PolarHBondContact O-N 3.49Å
153E98.1Very high98.2Very high117 Ų11771 Ų7155%0.54736%0.359SS..Hα-helixtrans-65.7-39.5178.3-63.5176.7-169.900111.5R150 V151 A157R150-E153 HydrophobicContact CB-CG 4.36Å; R150-E153 IonicContact NH1-OE1 3.9Å; R150-E153 IonicContact NH1-OE2 3.38Å; R150-E153 WeakPolarHBondContact O-CB 3.42Å; R150-E153 PolarHBondContact O-N 3.01Å; R150-E153 VanDerWaalsContact O-N 3.09Å; V151-E153 VanDerWaalsContact C-N 3.26Å; V151-E153 PolarHBondContact O-N 3.23Å; E153-A157 PolarHBondContact O-N 3.18Å
154Q97.6Very high98.2Very high133 Ų13369.3 Ų69.362%0.62135%0.352SS*.Hα-helixtrans-68.1-45.6177.5-60.3175.73800111.4V151 A152 R156 A157 Y158V151-Q154 PolarHBondContact O-N 2.72Å; A152-Q154 PolarHBondContact O-N 3.47Å; Q154-R156 VanDerWaalsContact C-N 3.32Å; Q154-R156 PolarHBondContact O-N 3.05Å; Q154-A157 PolarHBondContact O-N 2.86Å; Q154-Y158 PolarHBondContact O-N 2.92Å; Q154-Y158 VanDerWaalsContact O-N 3.13Å
155L98.1Very high98.2Very high33 Ų3367.9 Ų67.917%0.17335%0.351CS..Hα-helixtrans-63.3-40.8176.8-71.5173.4000111.4N113 L125 W132 V151 A152 A157 Y158 L159N113-L155 HydrophobicContact CB-CD1 4.15Å; L125-L155 HydrophobicContact CD2-CB 4.2Å; L125-L155 HydrophobicContact CD2-CD1 4.35Å; W132-L155 HydrophobicContact CH2-CD1 3.39Å; W132-L155 HydrophobicContact CZ2-CD1 3.82Å; W132-L155 HydrophobicContact CZ3-CD1 4.49Å; V151-L155 HydrophobicContact CG1-CD1 4.01Å; V151-L155 HydrophobicContact CG1-CG 4.2Å; V151-L155 PolarHBondContact O-N 3.43Å; A152-L155 PolarHBondContact O-N 3.46Å; L155-A157 VanDerWaalsContact C-N 3.35Å; L155-A157 PolarHBondContact O-N 3.28Å; L155-Y158 PolarHBondContact O-N 3.48Å; L155-L159 WeakPolarHBondContact O-CB 3.42Å; L155-L159 WeakPolarHBondContact O-CG 3.37Å; L155-L159 PolarHBondContact O-N 2.87Å
156R98.4Very high98.2Very high70 Ų7064.6 Ų64.626%0.26434%0.336SS..Hα-helixtrans-60.4-44.1175.5-176.2173.5178.2-133.8-14.9111.9L129 R130 A152 Q154 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.06Å; L129-R156 HydrophobicContact CB-CG 3.88Å; L129-R156 HydrophobicContact CD1-CG 4.13Å; R130-R156 VanDerWaalsContact CZ-NH1 3.34Å; A152-R156 WeakPolarHBondContact O-CB 3.44Å; A152-R156 PolarHBondContact O-N 3.49Å; Q154-R156 VanDerWaalsContact C-N 3.32Å; Q154-R156 PolarHBondContact O-N 3.05Å; R156-Y158 VanDerWaalsContact C-N 3.33Å; R156-Y158 PolarHBondContact O-N 3.08Å; R156-L159 PolarHBondContact O-N 3.22Å; R156-E160 HydrophobicContact CG-CG 4.12Å; R156-E160 IonicContact CZ-OE1 3.28Å; R156-E160 VanDerWaalsContact CZ-OE1 3.27Å; R156-E160 IonicContact CZ-OE2 2.79Å; R156-E160 VanDerWaalsContact NE-CD 3.34Å; R156-E160 IonicContact NE-OE1 3.06Å; R156-E160 PolarHBondContact NE-OE1 3.4Å; R156-E160 IonicContact NE-OE2 3.71Å; R156-E160 PolarHBondContact NE-OE2 2.73Å; R156-E160 IonicContact NH2-OE1 2.73Å; R156-E160 PolarHBondContact NH2-OE1 2.78Å; R156-E160 IonicContact NH2-OE2 3.83Å; R156-E160 PolarHBondContact NH2-OE2 3.06Å; R156-E160 WeakPolarHBondContact O-CB 3.44Å; R156-E160 WeakPolarHBondContact O-CG 3.37Å; R156-E160 PolarHBondContact O-N 2.98Å
157A98.5Very high98.2Very high66 Ų6662.7 Ų62.755%0.54533%0.326SS..Hα-helixtrans-59.4-43.2176.600000112.1E153 Q154 L155 G161E153-A157 PolarHBondContact O-N 3.18Å; Q154-A157 PolarHBondContact O-N 2.86Å; L155-A157 VanDerWaalsContact C-N 3.35Å; L155-A157 PolarHBondContact O-N 3.28Å; A157-G161 PolarHBondContact O-N 3.14Å
158Y98.3Very high98.1Very high55 Ų5564 Ų6422%0.21633%0.327CS..Hα-helixtrans-64-47.6174169.4-98.5000112.5Y98 Q154 L155 R156 G161 E162 C163Y98-Y158 AromaticContact CD2-CE1 3.92Å; Y98-Y158 HydrophobicContact CD2-CE1 3.92Å; Y98-Y158 AromaticContact CE2-CE1 3.91Å; Y98-Y158 HydrophobicContact CE2-CE1 3.91Å; Q154-Y158 PolarHBondContact O-N 2.92Å; Q154-Y158 VanDerWaalsContact O-N 3.13Å; L155-Y158 PolarHBondContact O-N 3.48Å; R156-Y158 VanDerWaalsContact C-N 3.33Å; R156-Y158 PolarHBondContact O-N 3.08Å; Y158-G161 CarbonylContact O-C 3.55Å; Y158-G161 PolarHBondContact O-N 3.29Å; Y158-E162 HydrophobicContact CD2-CB 3.9Å; Y158-E162 HydrophobicContact CE2-CB 4.13Å; Y158-E162 PolarHBondContact O-N 3.01Å; Y158-C163 HydrophobicContact CD1-CB 4.25Å; Y158-C163 HydrophobicContact CE1-CB 3.79Å; Y158-C163 HydrophobicContact CE2-CB 4.46Å; Y158-C163 WeakPolarHBondContact O-CB 3.47Å; Y158-C163 PolarHBondContact O-N 3.2Å
159L98.6Very high98Very high2 Ų265.4 Ų65.41%0.0131%0.313CS..Hα-helixtrans-68.8-36.5-175-70.6168.6000112.7G99 L125 L129 L155 R156 V164G99-L159 WeakPolarHBondContact O-CD2 3.26Å; L125-L159 HydrophobicContact CD2-CD1 3.92Å; L129-L159 HydrophobicContact CD1-CB 4.47Å; L129-L159 HydrophobicContact CD2-CD1 3.94Å; L155-L159 WeakPolarHBondContact O-CB 3.42Å; L155-L159 WeakPolarHBondContact O-CG 3.37Å; L155-L159 PolarHBondContact O-N 2.87Å; R156-L159 PolarHBondContact O-N 3.22Å; L159-V164 WeakPolarHBondContact O-CG2 3.27Å
160E98.2Very high97.9Very high93 Ų9362.7 Ų62.744%0.43529%0.291SS..Hα-helixtrans-82.1-23.2177-69.4-179.6167.900113.1L108 L129 R156L108-E160 HydrophobicContact CD2-CB 4.4Å; L108-E160 HydrophobicContact CD2-CG 3.65Å; L129-E160 HydrophobicContact CD1-CG 4.38Å; R156-E160 HydrophobicContact CG-CG 4.12Å; R156-E160 IonicContact CZ-OE1 3.28Å; R156-E160 VanDerWaalsContact CZ-OE1 3.27Å; R156-E160 IonicContact CZ-OE2 2.79Å; R156-E160 VanDerWaalsContact NE-CD 3.34Å; R156-E160 IonicContact NE-OE1 3.06Å; R156-E160 PolarHBondContact NE-OE1 3.4Å; R156-E160 IonicContact NE-OE2 3.71Å; R156-E160 PolarHBondContact NE-OE2 2.73Å; R156-E160 IonicContact NH2-OE1 2.73Å; R156-E160 PolarHBondContact NH2-OE1 2.78Å; R156-E160 IonicContact NH2-OE2 3.83Å; R156-E160 PolarHBondContact NH2-OE2 3.06Å; R156-E160 WeakPolarHBondContact O-CB 3.44Å; R156-E160 WeakPolarHBondContact O-CG 3.37Å; R156-E160 PolarHBondContact O-N 2.98Å
161G98.1Very high97.7Very high21 Ų2156.6 Ų56.622%0.21627%0.27CS..THydrogen-bonded Turntrans-109-98.9-177.900000112.7A157 Y158 C163 V164 E165A157-G161 PolarHBondContact O-N 3.14Å; Y158-G161 CarbonylContact O-C 3.55Å; Y158-G161 PolarHBondContact O-N 3.29Å; G161-C163 VanDerWaalsContact C-N 3.27Å; G161-C163 PolarHBondContact O-N 3.45Å; G161-C163 VanDerWaalsContact O-N 3.13Å; G161-V164 PolarHBondContact O-N 3.05Å; G161-E165 PolarHBondContact O-N 2.88Å
162E97.9Very high97.5Very high105 Ų10560.7 Ų60.749%0.49129%0.287SS..Hα-helixtrans-52.3-40.3-169.7-69.5-174.1-161.800113.7Y158 V164 E165 W166Y158-E162 HydrophobicContact CD2-CB 3.9Å; Y158-E162 HydrophobicContact CE2-CB 4.13Å; Y158-E162 PolarHBondContact O-N 3.01Å; E162-V164 VanDerWaalsContact C-N 3.34Å; E162-V164 PolarHBondContact O-N 2.86Å; E162-E165 PolarHBondContact O-N 3.48Å; E162-W166 WeakPolarHBondContact O-CB 3.38Å; E162-W166 PolarHBondContact O-N 2.88Å
163C98.5Very high97.2Very high0 Ų062.3 Ų62.30%029%0.294CS..Hα-helixtrans-59.2-46.2178.9-171.90000111.7M4 C100 Y158 G161 L167M4-C163 HydrophobicContact CE-CB 4.19Å; M4-C163 WeakPolarHBondContact CE-O 3.41Å; M4-C163 VanDerWaalsContact CE-SG 3.53Å; C100-C163 HydrophobicContact CB-CB 3.95Å; C100-C163 WeakPolarHBondContact CB-SG 3.35Å; C100-C163 PolarHBondContact N-SG 3.06Å; C100-C163 WeakPolarHBondContact SG-CB 3.49Å; C100-C163 PolarHBondContact SG-O 2.89Å; C100-C163 VanDerWaalsContact SG-O 3.41Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.25Å; Y158-C163 HydrophobicContact CD1-CB 4.25Å; Y158-C163 HydrophobicContact CE1-CB 3.79Å; Y158-C163 HydrophobicContact CE2-CB 4.46Å; Y158-C163 WeakPolarHBondContact O-CB 3.47Å; Y158-C163 PolarHBondContact O-N 3.2Å; G161-C163 VanDerWaalsContact C-N 3.27Å; G161-C163 PolarHBondContact O-N 3.45Å; G161-C163 VanDerWaalsContact O-N 3.13Å; C163-L167 VanDerWaalsContact O-CB 3.31Å; C163-L167 WeakPolarHBondContact O-CB 3.24Å; C163-L167 PolarHBondContact O-N 3.39Å
164V98.5Very high96.7Very high7 Ų756.8 Ų56.84%0.04227%0.269CS..Hα-helixtrans-69.1-40.5179.8174.60000110.8V102 G106 L108 L159 G161 E162 R168V102-V164 HydrophobicContact CG1-CB 4.41Å; V102-V164 HydrophobicContact CG1-CG1 4.01Å; V102-V164 HydrophobicContact CG1-CG2 3.99Å; G106-V164 WeakPolarHBondContact O-CG1 3.32Å; L108-V164 HydrophobicContact CB-CG2 4.03Å; L108-V164 HydrophobicContact CD1-CG2 3.95Å; L159-V164 WeakPolarHBondContact O-CG2 3.27Å; G161-V164 PolarHBondContact O-N 3.05Å; E162-V164 VanDerWaalsContact C-N 3.34Å; E162-V164 PolarHBondContact O-N 2.86Å; V164-R168 VanDerWaalsContact O-CG 3.3Å; V164-R168 WeakPolarHBondContact O-CG 3.45Å; V164-R168 PolarHBondContact O-N 3.07Å
165E98.3Very high96Very high127 Ų12754.5 Ų54.559%0.59326%0.257SS*.Hα-helixtrans-63-48.3178.5-69.317817600111.8G161 E162 R168 R169G161-E165 PolarHBondContact O-N 2.88Å; E162-E165 PolarHBondContact O-N 3.48Å; E165-R168 PolarHBondContact O-N 3.35Å; E165-R169 PolarHBondContact O-N 3.12Å
166W97.9Very high94.7Very high47 Ų4759.3 Ų59.318%0.17828%0.283CS..Hα-helixtrans-65.9-42.3177.5-81.2110.2000112.2M4 Y58 R61 E162 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.1Å; M4-W166 HydrophobicContact SD-CB 4.4Å; Y58-W166 AromaticContact CD2-CH2 3.63Å; Y58-W166 HydrophobicContact CD2-CH2 3.63Å; Y58-W166 HydrophobicContact CD2-CZ2 4.27Å; Y58-W166 AromaticContact CD2-CZ3 3.96Å; Y58-W166 HydrophobicContact CD2-CZ3 3.96Å; Y58-W166 HydrophobicContact CE2-CE3 4.38Å; Y58-W166 AromaticContact CE2-CH2 3.9Å; Y58-W166 HydrophobicContact CE2-CH2 3.9Å; Y58-W166 HydrophobicContact CE2-CZ2 4.45Å; Y58-W166 AromaticContact CE2-CZ3 3.85Å; Y58-W166 HydrophobicContact CE2-CZ3 3.85Å; R61-W166 VanDerWaalsContact NH2-CZ2 3.32Å; E162-W166 WeakPolarHBondContact O-CB 3.38Å; E162-W166 PolarHBondContact O-N 2.88Å; W166-R168 VanDerWaalsContact C-N 3.31Å; W166-R168 PolarHBondContact O-N 3.24Å; W166-R169 PolarHBondContact O-N 3.25Å; W166-R169 VanDerWaalsContact O-N 3.16Å; W166-Y170 HydrophobicContact CB-CE2 3.96Å; W166-Y170 HydrophobicContact CD2-CE1 4.48Å; W166-Y170 HydrophobicContact CE3-CD1 4.3Å; W166-Y170 AromaticContact CE3-CE1 3.41Å; W166-Y170 HydrophobicContact CE3-CE1 3.41Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.41Å; W166-Y170 HydrophobicContact CE3-CE2 4.33Å; W166-Y170 AromaticContact CE3-CZ 3.42Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.42Å; W166-Y170 VanDerWaalsContact CE3-OH 3.26Å; W166-Y170 AromaticContact CZ3-CE1 3.82Å; W166-Y170 HydrophobicContact CZ3-CE1 3.82Å; W166-Y170 VanDerWaalsContact O-CD2 3.27Å; W166-Y170 WeakPolarHBondContact O-CD2 3.49Å; W166-Y170 PolarHBondContact O-N 3.13Å
167L98Very high93Very high0 Ų062.3 Ų62.30%030%0.298CS..Hα-helixtrans-58.2-44.7175.7175.752.8000111.3H2 M4 V27 V102 C163 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.31Å; H2-L167 HydrophobicContact CB-CD2 4.4Å; M4-L167 HydrophobicContact CB-CB 4.09Å; M4-L167 HydrophobicContact CB-CD1 4.04Å; M4-L167 HydrophobicContact CB-CD2 4.14Å; M4-L167 HydrophobicContact CB-CG 4.3Å; M4-L167 HydrophobicContact CE-CB 4.49Å; M4-L167 HydrophobicContact SD-CB 4.42Å; V27-L167 HydrophobicContact CG1-CD1 3.76Å; V27-L167 HydrophobicContact CG2-CD1 4.28Å; V102-L167 HydrophobicContact CB-CD2 4.34Å; V102-L167 HydrophobicContact CG1-CD2 3.91Å; V102-L167 HydrophobicContact CG2-CD2 3.58Å; V102-L167 HydrophobicContact CG2-CG 4.27Å; C163-L167 VanDerWaalsContact O-CB 3.31Å; C163-L167 WeakPolarHBondContact O-CB 3.24Å; C163-L167 PolarHBondContact O-N 3.39Å; L167-R169 PolarHBondContact O-N 3.01Å; L167-Y170 PolarHBondContact O-N 3.14Å; L167-L171 HydrophobicContact CD1-CD1 3.9Å; L167-L171 HydrophobicContact CD1-CD2 4.47Å; L167-L171 HydrophobicContact CD1-CG 3.95Å; L167-L171 HydrophobicContact CG-CD1 4.01Å; L167-L171 WeakPolarHBondContact O-CB 3.45Å; L167-L171 VanDerWaalsContact O-CG 3.23Å; L167-L171 WeakPolarHBondContact O-CG 3.49Å; L167-L171 PolarHBondContact O-N 3.31Å
168R96.3Very high91.2Very high120 Ų12060.4 Ų60.445%0.45328%0.279SS..Hα-helixtrans-61.4-43.1176-72.1173.1-175.8177.42.2112.3G106 V164 E165 W166 L171 E172G106-R168 VanDerWaalsContact C-NH2 3.31Å; G106-R168 VanDerWaalsContact O-CZ 3.28Å; G106-R168 PolarHBondContact O-NE 3.43Å; G106-R168 PolarHBondContact O-NH2 2.9Å; V164-R168 VanDerWaalsContact O-CG 3.3Å; V164-R168 WeakPolarHBondContact O-CG 3.45Å; V164-R168 PolarHBondContact O-N 3.07Å; E165-R168 PolarHBondContact O-N 3.35Å; W166-R168 VanDerWaalsContact C-N 3.31Å; W166-R168 PolarHBondContact O-N 3.24Å; R168-L171 PolarHBondContact O-N 3.33Å; R168-E172 PolarHBondContact O-N 3.44Å
169R95.9Very high89Confident118 Ų11864.8 Ų64.845%0.44530%0.301SS..Hα-helixtrans-60.5-46.6176.3179.2178.3173.3103.9-5.3111.3E54 E165 W166 L167 L171 E172 N173E54-R169 IonicContact OE1-CZ 3.98Å; E54-R169 IonicContact OE1-NE 2.74Å; E54-R169 PolarHBondContact OE1-NE 3.08Å; E54-R169 IonicContact OE1-NH2 3.47Å; E54-R169 PolarHBondContact OE1-NH2 3.08Å; E54-R169 IonicContact OE2-CZ 3.63Å; E54-R169 IonicContact OE2-NE 3.6Å; E54-R169 PolarHBondContact OE2-NE 2.75Å; E54-R169 IonicContact OE2-NH2 2.84Å; E54-R169 PolarHBondContact OE2-NH2 3.42Å; E165-R169 PolarHBondContact O-N 3.12Å; W166-R169 PolarHBondContact O-N 3.25Å; W166-R169 VanDerWaalsContact O-N 3.16Å; L167-R169 PolarHBondContact O-N 3.01Å; R169-L171 PolarHBondContact O-N 3Å; R169-E172 PolarHBondContact O-N 2.94Å; R169-N173 WeakPolarHBondContact O-CB 3.39Å; R169-N173 PolarHBondContact O-N 3.08Å; R169-N173 PolarHBondContact O-OD1 3.46Å
170Y95.8Very high86.6Confident2 Ų275.1 Ų75.11%0.00834%0.34CS..Hα-helixtrans-65.7-37.2179.8-61.3-28.2000112.8M4 V27 F32 W50 I51 Y58 W166 L167 N173 G174M4-Y170 HydrophobicContact SD-CD2 3.7Å; M4-Y170 HydrophobicContact SD-CE2 3.52Å; M4-Y170 VanDerWaalsContact SD-CE2 3.52Å; V27-Y170 HydrophobicContact CG2-CD2 3.87Å; V27-Y170 HydrophobicContact CG2-CG 4.37Å; F32-Y170 HydrophobicContact CE2-CD2 4.18Å; F32-Y170 AromaticContact CE2-CE2 3.64Å; F32-Y170 HydrophobicContact CE2-CE2 3.64Å; F32-Y170 AromaticContact CE2-CZ 3.9Å; F32-Y170 HydrophobicContact CZ-CD2 4.2Å; F32-Y170 AromaticContact CZ-CE2 3.72Å; F32-Y170 HydrophobicContact CZ-CE2 3.72Å; W50-Y170 HydrophobicContact CE3-CD1 4.49Å; W50-Y170 HydrophobicContact CH2-CD2 4.46Å; W50-Y170 HydrophobicContact CH2-CG 4.05Å; W50-Y170 AromaticContact CZ3-CD1 3.69Å; W50-Y170 HydrophobicContact CZ3-CD1 3.69Å; W50-Y170 HydrophobicContact CZ3-CD2 4.38Å; W50-Y170 AromaticContact CZ3-CG 3.62Å; W50-Y170 HydrophobicContact CZ3-CG 3.62Å; I51-Y170 HydrophobicContact CD1-CD1 3.79Å; I51-Y170 HydrophobicContact CD1-CE1 3.34Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.26Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.34Å; Y58-Y170 PolarHBondContact OH-OH 3.13Å; W166-Y170 HydrophobicContact CB-CE2 3.96Å; W166-Y170 HydrophobicContact CD2-CE1 4.48Å; W166-Y170 HydrophobicContact CE3-CD1 4.3Å; W166-Y170 AromaticContact CE3-CE1 3.41Å; W166-Y170 HydrophobicContact CE3-CE1 3.41Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.41Å; W166-Y170 HydrophobicContact CE3-CE2 4.33Å; W166-Y170 AromaticContact CE3-CZ 3.42Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.42Å; W166-Y170 VanDerWaalsContact CE3-OH 3.26Å; W166-Y170 AromaticContact CZ3-CE1 3.82Å; W166-Y170 HydrophobicContact CZ3-CE1 3.82Å; W166-Y170 VanDerWaalsContact O-CD2 3.27Å; W166-Y170 WeakPolarHBondContact O-CD2 3.49Å; W166-Y170 PolarHBondContact O-N 3.13Å; L167-Y170 PolarHBondContact O-N 3.14Å; Y170-N173 PolarHBondContact O-N 3.23Å; Y170-G174 PolarHBondContact O-N 3.5Å
171L95Very high83.9Confident31 Ų3178 Ų7816%0.16238%0.379CS..Hα-helixtrans-63.4-42.8173.5-70.5167.2000111.9H2 V27 L167 R168 R169 G174 K175 L178H2-L171 HydrophobicContact CB-CD1 3.65Å; H2-L171 HydrophobicContact CB-CD2 4.01Å; H2-L171 HydrophobicContact CB-CG 4.4Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.47Å; V27-L171 HydrophobicContact CG1-CD2 4.01Å; L167-L171 HydrophobicContact CD1-CD1 3.9Å; L167-L171 HydrophobicContact CD1-CD2 4.47Å; L167-L171 HydrophobicContact CD1-CG 3.95Å; L167-L171 HydrophobicContact CG-CD1 4.01Å; L167-L171 WeakPolarHBondContact O-CB 3.45Å; L167-L171 VanDerWaalsContact O-CG 3.23Å; L167-L171 WeakPolarHBondContact O-CG 3.49Å; L167-L171 PolarHBondContact O-N 3.31Å; R168-L171 PolarHBondContact O-N 3.33Å; R169-L171 PolarHBondContact O-N 3Å; L171-G174 CarbonylContact O-C 3.58Å; L171-G174 PolarHBondContact O-N 3.09Å; L171-K175 WeakPolarHBondContact O-CA 3.43Å; L171-K175 PolarHBondContact O-N 3.07Å; L171-L178 HydrophobicContact CD2-CD1 4.12Å
172E93.8Very high83.2Confident121 Ų12180.8 Ų80.857%0.56539%0.387SS*.Hα-helixtrans-67.5-42.9177-17061.8-153.900111.4R168 R169 G174 K175R168-E172 PolarHBondContact O-N 3.44Å; R169-E172 PolarHBondContact O-N 2.94Å; E172-G174 PolarHBondContact O-N 2.92Å; E172-K175 WeakPolarHBondContact O-CB 3.27Å; E172-K175 PolarHBondContact O-N 2.81Å; E172-K175 IonicContact OE1-NZ 3.71Å; E172-K175 IonicContact OE2-NZ 2.73Å
173N92.1Very high82.5Confident40 Ų4079.5 Ų79.521%0.21438%0.382CS..Hα-helixtrans-60.5-35.7174.7-64.9-6.1000112W50 Q53 E54 R169 Y170W50-N173 HydrophobicContact CB-CB 4.45Å; Q53-N173 PolarHBondContact NE2-ND2 3.22Å; Q53-N173 VanDerWaalsContact NE2-ND2 3.16Å; Q53-N173 PolarHBondContact NE2-OD1 3.02Å; E54-N173 PolarHBondContact OE1-ND2 2.93Å; E54-N173 VanDerWaalsContact OE1-ND2 3.13Å; R169-N173 WeakPolarHBondContact O-CB 3.39Å; R169-N173 PolarHBondContact O-N 3.08Å; R169-N173 PolarHBondContact O-OD1 3.46Å; Y170-N173 PolarHBondContact O-N 3.23Å
174G87.9Confident81.6Confident2 Ų283.9 Ų83.92%0.02140%0.403CS..THydrogen-bonded Turntrans-94.71.1-176.600000115.1Y170 L171 E172 D176 K177 L178Y170-G174 PolarHBondContact O-N 3.5Å; L171-G174 CarbonylContact O-C 3.58Å; L171-G174 PolarHBondContact O-N 3.09Å; E172-G174 PolarHBondContact O-N 2.92Å; G174-D176 VanDerWaalsContact C-N 3.33Å; G174-D176 PolarHBondContact O-N 3.27Å; G174-D176 VanDerWaalsContact O-N 3.17Å; G174-K177 CarbonylContact O-C 3.59Å; G174-K177 WeakPolarHBondContact O-CA 3.34Å; G174-K177 PolarHBondContact O-N 3.44Å; G174-L178 PolarHBondContact O-N 3.45Å
175K82.6Confident80.6Confident84 Ų8488.5 Ų88.537%0.36542%0.424SS..Hα-helixtrans-52.1-43.9-166-167.7176.5-170.3163.90114.7L171 E172 K177 E179L171-K175 WeakPolarHBondContact O-CA 3.43Å; L171-K175 PolarHBondContact O-N 3.07Å; E172-K175 WeakPolarHBondContact O-CB 3.27Å; E172-K175 PolarHBondContact O-N 2.81Å; E172-K175 IonicContact OE1-NZ 3.71Å; E172-K175 IonicContact OE2-NZ 2.73Å; K175-K177 PolarHBondContact O-N 2.99Å; K175-K177 VanDerWaalsContact O-N 3.11Å; K175-E179 HydrophobicContact CG-CG 4.46Å; K175-E179 PolarHBondContact O-N 3.01Å
176D69.7Low79.5Confident135 Ų13586.1 Ų86.172%0.72241%0.414SS*.Hα-helixtrans-65.4-16.1179.1-71.7-24.9000114G174 R180G174-D176 VanDerWaalsContact C-N 3.33Å; G174-D176 PolarHBondContact O-N 3.27Å; G174-D176 VanDerWaalsContact O-N 3.17Å; D176-R180 PolarHBondContact O-NE 3.31Å
177K64.1Low78.2Confident132 Ų13288.7 Ų88.757%0.57443%0.429SS*.Hα-helixtrans-119.7-31.5-174.7-64.4-171.7179.5179.50114.3G174 K175G174-K177 CarbonylContact O-C 3.59Å; G174-K177 WeakPolarHBondContact O-CA 3.34Å; G174-K177 PolarHBondContact O-N 3.44Å; K175-K177 PolarHBondContact O-N 2.99Å; K175-K177 VanDerWaalsContact O-N 3.11Å
178L59.7Low76.8Confident27 Ų2795 Ų9514%0.14146%0.46CS..Hα-helixtrans-81.2-26.1-179.2-66.9173000112.6V27 L171 G174 R180V27-L178 HydrophobicContact CG1-CD1 4.28Å; L171-L178 HydrophobicContact CD2-CD1 4.12Å; G174-L178 PolarHBondContact O-N 3.45Å; L178-R180 VanDerWaalsContact C-N 3.27Å; L178-R180 PolarHBondContact O-N 3.02Å
179E51.3Low75.3Confident147 Ų14793.1 Ų93.169%0.68746%0.461SS*.THydrogen-bonded Turntrans-82-0.4175.9-64.6-175.6165.900113.6K175K175-E179 HydrophobicContact CG-CG 4.46Å; K175-E179 PolarHBondContact O-N 3.01Å
180R48.5Very low73.6Confident219 Ų21991 Ų9183%0.82646%0.462SS*.THydrogen-bonded Turntrans-104.93.6-179.5-65.9-171.7-177.4-171.63.3114.4D176 L178D176-R180 PolarHBondContact O-NE 3.31Å; L178-R180 VanDerWaalsContact C-N 3.27Å; L178-R180 PolarHBondContact O-N 3.02Å
181A42.8Very low71.6Confident152 Ų15299.1 Ų99.1100%1.25650%0.503SS*.  trans-98.7017800000111.4

Retrieved 181 of 181 residues in 66.5 ms (Link to these results)

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