A0A060GU53_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060GU53, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 273 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1S94.7Very high98.4Very high94 Ų9439.7 Ų39.766%0.65721%0.213SC*.  0154.50-57.30000107.8L102S1-L102 VanDerWaalsContact CA-O 3.27Å; S1-L102 WeakPolarHBondContact CA-O 3.07Å; S1-L102 VanDerWaalsContact CB-O 3.27Å; S1-L102 WeakPolarHBondContact CB-O 3.45Å
2H98.3Very high98.3Very high47 Ų4737.7 Ų37.722%0.21820%0.204CC..EExtended strand (participates in β ladder)trans-140.8157.8-178.9-67-75.5000110.5D28 D101 L102 L167 L171H2-D28 VanDerWaalsContact CA-OD1 3.24Å; H2-D28 WeakPolarHBondContact CA-OD1 3.23Å; H2-D28 IonicContact CE1-OD2 3.79Å; H2-D28 IonicContact CG-OD2 2.81Å; H2-D28 IonicContact ND1-OD1 3.69Å; H2-D28 IonicContact ND1-OD2 2.67Å; H2-D28 PolarHBondContact ND1-OD2 3.06Å; H2-D101 CarbonylContact O-C 3.59Å; H2-D101 WeakPolarHBondContact O-CA 3.39Å; H2-L102 PolarHBondContact N-O 2.78Å; H2-L102 VanDerWaalsContact N-O 3.11Å; H2-L102 PolarHBondContact O-N 2.9Å; H2-L167 HydrophobicContact CB-CD1 4.44Å; H2-L171 HydrophobicContact CB-CD1 3.74Å; H2-L171 HydrophobicContact CB-CD2 3.98Å; H2-L171 HydrophobicContact CB-CG 4.44Å; H2-L171 VanDerWaalsContact CG-CD2 3.48Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.4Å
3S98.6Very high98.2Very high27 Ų2740.1 Ų40.119%0.18921%0.208CC..EExtended strand (participates in β ladder)trans-133.3149.6178.464.90000111.4V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.56Å; S3-V27 VanDerWaalsContact O-CA 3.29Å; S3-V27 WeakPolarHBondContact O-CA 3.38Å; S3-D28 PolarHBondContact N-OD1 2.99Å; S3-D28 PolarHBondContact O-N 3.49Å; S3-D28 PolarHBondContact OG-OD1 3.36Å; S3-C100 WeakPolarHBondContact CA-O 3.4Å; S3-D101 VanDerWaalsContact CB-OD1 3.22Å; S3-D101 WeakPolarHBondContact CB-OD1 3.44Å
4M98.8Very high97.9Very high0 Ų041.2 Ų41.20%022%0.219CC..EExtended strand (participates in β ladder)trans-123.8124.4166.9-177.2172.16400108.1Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.43Å; M4-Y6 HydrophobicContact CG-CE2 4.4Å; M4-Y6 HydrophobicContact SD-CE2 4.29Å; M4-Y26 CarbonylContact C-O 3.56Å; M4-Y26 WeakPolarHBondContact CA-O 3.49Å; M4-V27 HydrophobicContact CG-CG2 4.39Å; M4-F32 HydrophobicContact CG-CE1 4.42Å; M4-F32 HydrophobicContact SD-CZ 4.37Å; M4-G99 CarbonylContact O-C 3.59Å; M4-G99 WeakPolarHBondContact O-CA 3.32Å; M4-C100 PolarHBondContact N-O 2.92Å; M4-C100 PolarHBondContact O-N 2.63Å; M4-C163 HydrophobicContact CE-CB 4.13Å; M4-C163 WeakPolarHBondContact CE-O 3.36Å; M4-C163 WeakPolarHBondContact CE-SG 3.34Å; M4-W166 HydrophobicContact CE-CB 4.13Å; M4-W166 HydrophobicContact SD-CB 4.44Å; M4-L167 HydrophobicContact CB-CB 4.02Å; M4-L167 HydrophobicContact CB-CD1 4.03Å; M4-L167 HydrophobicContact CB-CD2 3.93Å; M4-L167 HydrophobicContact CB-CG 4.2Å; M4-L167 HydrophobicContact CE-CB 4.36Å; M4-L167 HydrophobicContact SD-CB 4.41Å; M4-Y170 HydrophobicContact SD-CD2 3.75Å; M4-Y170 HydrophobicContact SD-CE2 3.49Å; M4-Y170 WeakPolarHBondContact SD-CE2 3.36Å
5R98.8Very high97.7Very high48 Ų4844.4 Ų44.418%0.18127%0.266CS..EExtended strand (participates in β ladder)trans-131.3139.7-177.3-57.6-61.5-177.4805.2111F7 G25 Y26 M97 Y98 D101 H112R5-F7 HydrophobicContact CB-CD2 4.36Å; R5-F7 HydrophobicContact CB-CE2 3.56Å; R5-F7 HydrophobicContact CB-CZ 3.81Å; R5-F7 HydrophobicContact CG-CZ 4.41Å; R5-G25 CarbonylContact O-C 3.59Å; R5-G25 WeakPolarHBondContact O-CA 3.24Å; R5-Y26 PolarHBondContact N-O 2.86Å; R5-Y26 PolarHBondContact O-N 2.96Å; R5-M97 HydrophobicContact CG-SD 4.49Å; R5-M97 PolarHBondContact NH1-SD 3.31Å; R5-Y98 WeakPolarHBondContact CA-O 3.47Å; R5-D101 IonicContact CZ-OD1 2.76Å; R5-D101 IonicContact NE-OD1 3.49Å; R5-D101 PolarHBondContact NE-OD1 3.25Å; R5-D101 IonicContact NH2-OD1 3.83Å; R5-D101 PolarHBondContact NH2-OD1 3.45Å; R5-D101 IonicContact NH2-OD2 2.62Å; R5-D101 PolarHBondContact NH2-OD2 2.8Å; R5-D101 VanDerWaalsContact NH2-OD2 3.14Å; R5-H112 PolarHBondContact NH2-NE2 2.61Å; R5-H112 VanDerWaalsContact NH2-NE2 3.14Å
6Y98.9Very high97.5Very high11 Ų1154.8 Ų54.84%0.04330%0.299CS..EExtended strand (participates in β ladder)trans-111.9134.9166.7-72.7-87.9000109.3M4 Y8 V24 F32 V33 F66 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.43Å; M4-Y6 HydrophobicContact CG-CE2 4.4Å; M4-Y6 HydrophobicContact SD-CE2 4.29Å; Y6-Y8 HydrophobicContact CD1-CE1 4.4Å; Y6-V24 WeakPolarHBondContact CA-O 3.5Å; Y6-F32 HydrophobicContact CE1-CZ 4.12Å; Y6-F32 AromaticContact CZ-CZ 3.81Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.21Å; Y6-V33 HydrophobicContact CE1-CG2 3.96Å; Y6-F66 HydrophobicContact CD1-CZ 4.38Å; Y6-F66 HydrophobicContact CE1-CZ 4.25Å; Y6-M97 WeakPolarHBondContact O-CA 3.29Å; Y6-Y98 VanDerWaalsContact CB-CE1 3.47Å; Y6-Y98 VanDerWaalsContact CB-CZ 3.47Å; Y6-Y98 AromaticContact CD2-CE2 3.77Å; Y6-Y98 HydrophobicContact CD2-CE2 3.77Å; Y6-Y98 AromaticContact CD2-CZ 3.72Å; Y6-Y98 WeakPolarHBondContact CD2-OH 3.49Å; Y6-Y98 HydrophobicContact CG-CE1 4.25Å; Y6-Y98 HydrophobicContact CG-CE2 4.26Å; Y6-Y98 AromaticContact CG-CZ 3.74Å; Y6-Y98 PolarHBondContact N-O 3.21Å; Y6-Y98 PolarHBondContact O-N 3.44Å; Y6-Y98 VanDerWaalsContact O-N 3.16Å
7F98.9Very high97.3Very high82 Ų8254.9 Ų54.936%0.3632%0.316SS..EExtended strand (participates in β ladder)trans-119.5119.6177.7-57.3-93.6000109R5 A23 V24 Y26 R96 M97R5-F7 HydrophobicContact CB-CD2 4.36Å; R5-F7 HydrophobicContact CB-CE2 3.56Å; R5-F7 HydrophobicContact CB-CZ 3.81Å; R5-F7 HydrophobicContact CG-CZ 4.41Å; F7-A23 WeakPolarHBondContact O-CA 3.46Å; F7-V24 HydrophobicContact CB-CG2 3.84Å; F7-V24 HydrophobicContact CD2-CG2 4.28Å; F7-V24 PolarHBondContact N-O 3.03Å; F7-V24 PolarHBondContact O-N 3.17Å; F7-Y26 HydrophobicContact CD2-CD2 4.01Å; F7-Y26 HydrophobicContact CE2-CD2 4.01Å; F7-Y26 HydrophobicContact CE2-CG 4.45Å; F7-R96 WeakPolarHBondContact CA-O 3.5Å; F7-M97 HydrophobicContact CD1-CB 4.02Å; F7-M97 HydrophobicContact CD1-CG 3.66Å; F7-M97 HydrophobicContact CE1-CB 4.16Å; F7-M97 HydrophobicContact CE1-CG 3.37Å; F7-M97 HydrophobicContact CZ-CG 4.06Å
8Y98.8Very high97.2Very high5 Ų556.6 Ų56.62%0.0232%0.32CS..EExtended strand (participates in β ladder)trans-110.1137.8177.9-62.2-4.8000109.4Y6 F21 I22 A23 F66 Y73 Q95 R96 Y98Y6-Y8 HydrophobicContact CD1-CE1 4.4Å; Y8-F21 HydrophobicContact CD1-CZ 4.25Å; Y8-F21 HydrophobicContact CD2-CE2 4.12Å; Y8-F21 AromaticContact CD2-CZ 3.83Å; Y8-F21 HydrophobicContact CD2-CZ 3.83Å; Y8-F21 HydrophobicContact CE2-CZ 4.27Å; Y8-F21 HydrophobicContact CG-CE2 4.12Å; Y8-F21 AromaticContact CG-CZ 3.8Å; Y8-F21 HydrophobicContact CG-CZ 3.8Å; Y8-I22 CarbonylContact C-O 3.45Å; Y8-I22 WeakPolarHBondContact CA-O 3.24Å; Y8-A23 HydrophobicContact CD1-CB 3.47Å; Y8-A23 VanDerWaalsContact CD1-CB 3.47Å; Y8-A23 HydrophobicContact CE1-CB 3.65Å; Y8-A23 HydrophobicContact CG-CB 4.39Å; Y8-F66 HydrophobicContact CE1-CD1 4.25Å; Y8-F66 AromaticContact CE1-CE1 3.6Å; Y8-F66 HydrophobicContact CE1-CE1 3.6Å; Y8-F66 AromaticContact CZ-CE1 3.73Å; Y8-F66 WeakPolarHBondContact OH-CE1 3.25Å; Y8-Y73 AromaticContact CD2-CE2 3.77Å; Y8-Y73 HydrophobicContact CD2-CE2 3.77Å; Y8-Y73 AromaticContact CD2-CZ 3.96Å; Y8-Y73 HydrophobicContact CE2-CE2 4.41Å; Y8-Q95 CarbonylContact O-C 3.51Å; Y8-Q95 VanDerWaalsContact O-CA 3.25Å; Y8-Q95 WeakPolarHBondContact O-CA 3.17Å; Y8-R96 PolarHBondContact N-O 3.38Å; Y8-R96 PolarHBondContact O-N 2.77Å; Y8-Y98 HydrophobicContact CD2-CE1 4.41Å; Y8-Y98 AromaticContact CE1-CE1 3.84Å; Y8-Y98 HydrophobicContact CE1-CE1 3.84Å; Y8-Y98 AromaticContact CE2-CE1 3.78Å; Y8-Y98 HydrophobicContact CE2-CE1 3.78Å; Y8-Y98 AromaticContact CZ-CE1 3.45Å; Y8-Y98 VanDerWaalsContact CZ-CE1 3.45Å; Y8-Y98 AromaticContact CZ-CZ 3.93Å; Y8-Y98 PolarHBondContact OH-OH 3.4Å
9T98.9Very high97.3Very high50 Ų5054.6 Ų54.631%0.30731%0.31SS..EExtended strand (participates in β ladder)trans-131.9120.8172.9-56.50000108.9F21 I22 I93 Q95T9-F21 WeakPolarHBondContact O-CA 3.22Å; T9-I22 PolarHBondContact N-O 2.9Å; T9-I22 PolarHBondContact O-N 2.78Å; T9-I93 HydrophobicContact CG2-CG2 3.97Å; T9-Q95 HydrophobicContact CG2-CG 4.33Å
10A98.8Very high97.3Very high2 Ų255.6 Ų55.62%0.01731%0.308CS..EExtended strand (participates in β ladder)trans-114.6122.2172.200000109.4R20 F21 Y73 L77 I93 I94A10-R20 CarbonylContact C-O 3.53Å; A10-R20 WeakPolarHBondContact CA-O 3.27Å; A10-F21 HydrophobicContact CB-CD2 4.17Å; A10-Y73 HydrophobicContact CB-CD1 3.93Å; A10-Y73 HydrophobicContact CB-CG 4.04Å; A10-L77 HydrophobicContact CB-CD1 4.2Å; A10-I93 CarbonylContact O-C 3.56Å; A10-I93 WeakPolarHBondContact O-CA 3.33Å; A10-I94 PolarHBondContact N-O 3.2Å; A10-I94 PolarHBondContact O-N 3.02Å
11M98.6Very high97.4Very high71 Ų7153 Ų5335%0.3529%0.294SS..EExtended strand (participates in β ladder)trans-123.9116.6-175.1179.817365.900110.3P19 R20 H92 I93M11-P19 CarbonylContact O-C 3.48Å; M11-P19 WeakPolarHBondContact O-CA 3.46Å; M11-P19 WeakPolarHBondContact O-CB 2.83Å; M11-R20 PolarHBondContact N-O 2.88Å; M11-R20 PolarHBondContact O-N 3.44Å; M11-H92 WeakPolarHBondContact CA-O 3.38Å; M11-I93 HydrophobicContact CB-CG1 4.27Å; M11-I93 HydrophobicContact CG-CD1 4.47Å; M11-I93 HydrophobicContact CG-CG1 3.97Å; M11-I93 HydrophobicContact SD-CD1 4.36Å; M11-I93 HydrophobicContact SD-CG1 4.5Å
12S98.2Very high97.6Very high15 Ų1550.8 Ų50.811%0.10527%0.274CS..  trans-69.8153.2171.574.20000110.4S91 H92S12-S91 PolarHBondContact O-OG 2.82Å; S12-H92 PolarHBondContact N-O 3.28Å; S12-H92 PolarHBondContact OG-N 2.94Å; S12-H92 PolarHBondContact OG-O 2.98Å
13R96.8Very high97.6Very high69 Ų6948.6 Ų48.626%0.2626%0.264SS..  trans-148.770.7179.750.5174.3175.5-161.5-8.1110.6G15 R16 E18 D38R13-G15 PolarHBondContact O-N 2.81Å; R13-R16 HydrophobicContact CB-CB 4.19Å; R13-R16 WeakPolarHBondContact CD-O 3.39Å; R13-R16 HydrophobicContact CG-CB 4.26Å; R13-R16 PolarHBondContact NE-O 3.39Å; R13-R16 PolarHBondContact O-N 3.47Å; R13-E18 PolarHBondContact NE-O 3.45Å; R13-E18 PolarHBondContact NH2-O 2.96Å; R13-D38 IonicContact CZ-OD1 3.61Å; R13-D38 IonicContact CZ-OD2 2.7Å; R13-D38 IonicContact NH1-OD1 3.96Å; R13-D38 IonicContact NH1-OD2 2.73Å; R13-D38 PolarHBondContact NH1-OD2 2.83Å; R13-D38 IonicContact NH2-OD1 3.7Å; R13-D38 PolarHBondContact NH2-OD1 2.79Å; R13-D38 IonicContact NH2-OD2 3.59Å; R13-D38 PolarHBondContact NH2-OD2 2.85Å
14P94.1Very high97.6Very high56 Ų5648.6 Ų48.636%0.36426%0.263SS..THydrogen-bonded Turntrans-50133.1-175.3-26.935.3000112.2R16 E88 G90P14-R16 PolarHBondContact O-N 3.18Å; P14-E88 WeakPolarHBondContact CB-O 3.26Å; P14-E88 WeakPolarHBondContact CG-O 3.27Å; P14-G90 WeakPolarHBondContact CG-O 3.27Å
15G93.9Very high97.6Very high89 Ų8948.6 Ų48.692%0.91826%0.263SS*.THydrogen-bonded Turntrans75.80.1-176.600000115.8R13R13-G15 PolarHBondContact O-N 2.81Å
16R95.2Very high97.6Very high210 Ų21049.6 Ų49.679%0.79227%0.268SS*.SBendtrans-124.327.9179-58.3-174.3-178.2-179.21.1113.2R13 P14R13-R16 HydrophobicContact CB-CB 4.19Å; R13-R16 WeakPolarHBondContact CD-O 3.39Å; R13-R16 HydrophobicContact CG-CB 4.26Å; R13-R16 PolarHBondContact NE-O 3.39Å; R13-R16 PolarHBondContact O-N 3.47Å; P14-R16 PolarHBondContact O-N 3.18Å
17G93.7Very high97.6Very high57 Ų5749.1 Ų49.159%0.58827%0.266SS*.SBendtrans92.5-167-17900000113.5
18E96.4Very high97.6Very high86 Ų8646.6 Ų46.640%0.40226%0.256SS..SBendtrans-71.7158.8-177.9-70.2-68.7169.500112.6R13 R20 R74 R78R13-E18 PolarHBondContact NE-O 3.45Å; R13-E18 PolarHBondContact NH2-O 2.96Å; E18-R20 PolarHBondContact O-N 3.15Å; E18-R74 VanDerWaalsContact CG-CZ 3.48Å; E18-R74 IonicContact OE1-NH1 3.52Å; E18-R74 WeakPolarHBondContact OE2-CD 3.35Å; E18-R74 IonicContact OE2-CZ 3.6Å; E18-R74 IonicContact OE2-NE 2.91Å; E18-R74 PolarHBondContact OE2-NE 3.25Å; E18-R74 IonicContact OE2-NH1 2.77Å; E18-R74 IonicContact OE2-NH2 3.37Å; E18-R78 IonicContact OE1-NH2 3.64Å; E18-R78 IonicContact OE2-NH2 3.43Å
19P97.6Very high97.6Very high19 Ų1949.3 Ų49.312%0.12327%0.271CS..PPolyproline II helixtrans-53.2135.6175.2-26.334.8000112.5M11 R74 L77M11-P19 CarbonylContact O-C 3.48Å; M11-P19 WeakPolarHBondContact O-CA 3.46Å; M11-P19 WeakPolarHBondContact O-CB 2.83Å; P19-R74 HydrophobicContact CG-CG 4.16Å; P19-L77 HydrophobicContact CB-CD1 3.57Å; P19-L77 HydrophobicContact CG-CD1 3.73Å
20R98.4Very high97.6Very high73 Ų7347.7 Ų47.728%0.27526%0.261SS..EExtended strand (participates in β ladder)trans-81.2133.4174-175.5-178.7-174.5179-1.4109.1A10 M11 E18 I22 D36 S37 D38A10-R20 CarbonylContact C-O 3.53Å; A10-R20 WeakPolarHBondContact CA-O 3.27Å; M11-R20 PolarHBondContact N-O 2.88Å; M11-R20 PolarHBondContact O-N 3.44Å; E18-R20 PolarHBondContact O-N 3.15Å; R20-I22 HydrophobicContact CG-CG1 4.25Å; R20-D36 IonicContact CZ-OD1 3.95Å; R20-D36 IonicContact CZ-OD2 3.01Å; R20-D36 IonicContact NE-OD1 3.32Å; R20-D36 PolarHBondContact NE-OD1 3.3Å; R20-D36 IonicContact NE-OD2 3.38Å; R20-D36 IonicContact NH2-OD1 3.98Å; R20-D36 PolarHBondContact NH2-OD1 2.97Å; R20-D36 IonicContact NH2-OD2 3.45Å; R20-D36 PolarHBondContact NH2-OD2 2.99Å; R20-S37 WeakPolarHBondContact CA-OG 3.39Å; R20-D38 VanDerWaalsContact CD-OD2 3.23Å; R20-D38 WeakPolarHBondContact CD-OD2 3.41Å; R20-D38 HydrophobicContact CG-CB 4.36Å; R20-D38 IonicContact NE-OD2 3.95Å
21F98.8Very high97.6Very high2 Ų250.1 Ų50.11%0.00927%0.272CS..EExtended strand (participates in β ladder)trans-115.5126.8174.9-180-96.1000110Y8 T9 A10 A23 F35 S37 F66 N69 T70 Y73Y8-F21 HydrophobicContact CD1-CZ 4.25Å; Y8-F21 HydrophobicContact CD2-CE2 4.12Å; Y8-F21 AromaticContact CD2-CZ 3.83Å; Y8-F21 HydrophobicContact CD2-CZ 3.83Å; Y8-F21 HydrophobicContact CE2-CZ 4.27Å; Y8-F21 HydrophobicContact CG-CE2 4.12Å; Y8-F21 AromaticContact CG-CZ 3.8Å; Y8-F21 HydrophobicContact CG-CZ 3.8Å; T9-F21 WeakPolarHBondContact O-CA 3.22Å; A10-F21 HydrophobicContact CB-CD2 4.17Å; F21-A23 HydrophobicContact CE1-CB 3.83Å; F21-A23 HydrophobicContact CZ-CB 4.1Å; F21-F35 AromaticContact CD1-CD1 3.85Å; F21-F35 HydrophobicContact CD1-CD1 3.85Å; F21-F35 AromaticContact CD1-CE1 3.92Å; F21-F35 HydrophobicContact CD1-CE1 3.92Å; F21-F35 HydrophobicContact CE1-CD1 4.16Å; F21-F35 HydrophobicContact CE1-CE1 4.5Å; F21-S37 PolarHBondContact N-OG 3Å; F21-S37 PolarHBondContact O-N 3.07Å; F21-S37 PolarHBondContact O-OG 2.97Å; F21-F66 HydrophobicContact CE1-CB 4.29Å; F21-F66 HydrophobicContact CE1-CD1 4.2Å; F21-N69 HydrophobicContact CE1-CB 4.27Å; F21-N69 HydrophobicContact CE2-CB 4.29Å; F21-N69 HydrophobicContact CZ-CB 3.81Å; F21-T70 HydrophobicContact CB-CG2 3.91Å; F21-T70 VanDerWaalsContact CD1-OG1 3.29Å; F21-T70 WeakPolarHBondContact CD1-OG1 3.46Å; F21-Y73 HydrophobicContact CD2-CD2 4.15Å; F21-Y73 HydrophobicContact CD2-CG 4.21Å; F21-Y73 AromaticContact CE2-CD2 3.56Å; F21-Y73 HydrophobicContact CE2-CD2 3.56Å; F21-Y73 AromaticContact CE2-CE2 3.99Å; F21-Y73 HydrophobicContact CE2-CE2 3.99Å; F21-Y73 HydrophobicContact CE2-CG 4Å; F21-Y73 HydrophobicContact CZ-CD2 4.45Å
22I98.9Very high97.6Very high47 Ų4746.8 Ų46.824%0.24126%0.255CS..EExtended strand (participates in β ladder)trans-123.5133.6175.3-57.4174.6000107.6Y8 T9 R20 V24 F35Y8-I22 CarbonylContact C-O 3.45Å; Y8-I22 WeakPolarHBondContact CA-O 3.24Å; T9-I22 PolarHBondContact N-O 2.9Å; T9-I22 PolarHBondContact O-N 2.78Å; R20-I22 HydrophobicContact CG-CG1 4.25Å; I22-V24 HydrophobicContact CG2-CG1 4.38Å; I22-F35 WeakPolarHBondContact CA-O 3.5Å
23A98.8Very high97.6Very high1 Ų146.1 Ų46.11%0.00825%0.251CS..EExtended strand (participates in β ladder)trans-126.4136.7169.800000109.8F7 Y8 F21 R34 F35 F66F7-A23 WeakPolarHBondContact O-CA 3.46Å; Y8-A23 HydrophobicContact CD1-CB 3.47Å; Y8-A23 VanDerWaalsContact CD1-CB 3.47Å; Y8-A23 HydrophobicContact CE1-CB 3.65Å; Y8-A23 HydrophobicContact CG-CB 4.39Å; F21-A23 HydrophobicContact CE1-CB 3.83Å; F21-A23 HydrophobicContact CZ-CB 4.1Å; A23-R34 CarbonylContact O-C 3.57Å; A23-R34 WeakPolarHBondContact O-CA 3.34Å; A23-F35 HydrophobicContact CB-CB 4.32Å; A23-F35 PolarHBondContact N-O 3.15Å; A23-F35 PolarHBondContact O-N 2.94Å; A23-F66 HydrophobicContact CB-CD1 3.65Å; A23-F66 HydrophobicContact CB-CE1 3.52Å; A23-F66 HydrophobicContact CB-CG 4.33Å; A23-F66 HydrophobicContact CB-CZ 4.09Å
24V98.9Very high97.7Very high28 Ų2847 Ų4717%0.1725%0.254CS..EExtended strand (participates in β ladder)trans-131.3143.9173-63.10000109.7Y6 F7 I22 Y26 Q31 V33 R34Y6-V24 WeakPolarHBondContact CA-O 3.5Å; F7-V24 HydrophobicContact CB-CG2 3.84Å; F7-V24 HydrophobicContact CD2-CG2 4.28Å; F7-V24 PolarHBondContact N-O 3.03Å; F7-V24 PolarHBondContact O-N 3.17Å; I22-V24 HydrophobicContact CG2-CG1 4.38Å; V24-Y26 HydrophobicContact CB-CE2 4.11Å; V24-Y26 HydrophobicContact CG2-CD2 4.28Å; V24-Y26 HydrophobicContact CG2-CE2 3.8Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.29Å; V24-V33 WeakPolarHBondContact CA-O 3.49Å; V24-R34 HydrophobicContact CG1-CB 4.43Å; V24-R34 HydrophobicContact CG1-CG 4.24Å
25G98.8Very high97.9Very high0 Ų044.4 Ų44.40%024%0.237CC..EExtended strand (participates in β ladder)trans-117.9138.6176.900000110.6R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.59Å; R5-G25 WeakPolarHBondContact O-CA 3.24Å; G25-Q31 WeakPolarHBondContact O-CA 3.45Å; G25-F32 WeakPolarHBondContact O-CD1 3.11Å; G25-F32 PolarHBondContact O-N 2.67Å; G25-V33 PolarHBondContact N-O 3Å; G25-V33 VanDerWaalsContact N-O 3.1Å
26Y98.9Very high98.1Very high69 Ų6940.8 Ų40.827%0.27120%0.197SC..EExtended strand (participates in β ladder)trans-126.5141.9179.4-79.1-101.9000110.9M4 R5 F7 V24 T30 Q31 F32M4-Y26 CarbonylContact C-O 3.56Å; M4-Y26 WeakPolarHBondContact CA-O 3.49Å; R5-Y26 PolarHBondContact N-O 2.86Å; R5-Y26 PolarHBondContact O-N 2.96Å; F7-Y26 HydrophobicContact CD2-CD2 4.01Å; F7-Y26 HydrophobicContact CE2-CD2 4.01Å; F7-Y26 HydrophobicContact CE2-CG 4.45Å; V24-Y26 HydrophobicContact CB-CE2 4.11Å; V24-Y26 HydrophobicContact CG2-CD2 4.28Å; V24-Y26 HydrophobicContact CG2-CE2 3.8Å; Y26-T30 WeakPolarHBondContact CA-O 2.93Å; Y26-Q31 HydrophobicContact CD1-CB 4.1Å; Y26-Q31 HydrophobicContact CD2-CB 4.49Å; Y26-Q31 HydrophobicContact CD2-CG 4.35Å; Y26-Q31 HydrophobicContact CE1-CB 3.59Å; Y26-Q31 HydrophobicContact CE1-CG 4.34Å; Y26-Q31 HydrophobicContact CE2-CB 4.02Å; Y26-Q31 HydrophobicContact CE2-CG 3.83Å; Y26-F32 VanDerWaalsContact N-CE1 3.33Å
27V98.8Very high98.3Very high0 Ų032 Ų320%017%0.168CC..EExtended strand (participates in β ladder)trans-111.4117.1156.91770000106.3S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.56Å; S3-V27 VanDerWaalsContact O-CA 3.29Å; S3-V27 WeakPolarHBondContact O-CA 3.38Å; M4-V27 HydrophobicContact CG-CG2 4.39Å; V27-D29 PolarHBondContact O-N 3.03Å; V27-T30 PolarHBondContact N-O 3.29Å; V27-T30 WeakPolarHBondContact O-CB 3.35Å; V27-T30 PolarHBondContact O-N 3.45Å; V27-F32 HydrophobicContact CG2-CD1 4.03Å; V27-F32 HydrophobicContact CG2-CE1 4.08Å; V27-W50 HydrophobicContact CG2-CH2 3.92Å; V27-W50 HydrophobicContact CG2-CZ2 4.39Å; V27-L167 HydrophobicContact CG1-CD1 3.6Å; V27-L167 HydrophobicContact CG2-CD1 4.2Å; V27-Y170 HydrophobicContact CG2-CD2 3.91Å; V27-Y170 HydrophobicContact CG2-CG 4.47Å; V27-L171 HydrophobicContact CG1-CD2 4.11Å; V27-L178 HydrophobicContact CB-CD1 4.31Å; V27-L178 HydrophobicContact CB-CD2 4.19Å; V27-L178 HydrophobicContact CG1-CD1 3.94Å; V27-L178 HydrophobicContact CG1-CD2 4.1Å
28D98.4Very high98.5Very high29 Ų2932.5 Ų32.516%0.15516%0.157CC..THydrogen-bonded Turntrans47.8-130.1-166.1-52.3-42.5000110.3H2 S3 T30H2-D28 VanDerWaalsContact CA-OD1 3.24Å; H2-D28 WeakPolarHBondContact CA-OD1 3.23Å; H2-D28 IonicContact CE1-OD2 3.79Å; H2-D28 IonicContact CG-OD2 2.81Å; H2-D28 IonicContact ND1-OD1 3.69Å; H2-D28 IonicContact ND1-OD2 2.67Å; H2-D28 PolarHBondContact ND1-OD2 3.06Å; S3-D28 PolarHBondContact N-OD1 2.99Å; S3-D28 PolarHBondContact O-N 3.49Å; S3-D28 PolarHBondContact OG-OD1 3.36Å; D28-T30 VanDerWaalsContact C-N 3.27Å; D28-T30 PolarHBondContact O-N 2.89Å
29D98.4Very high98.6Very high63 Ų6330 Ų3034%0.33715%0.151SC..THydrogen-bonded Turntrans-86.513.1177.5-60.5-51.1000114.3V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 3.03Å; D29-Y208 HydrophobicContact CB-CE2 3.77Å; D29-P209 WeakPolarHBondContact OD2-CB 3.25Å; D29-A210 WeakPolarHBondContact OD2-CB 3.44Å; D29-A210 PolarHBondContact OD2-N 3.43Å; D29-F240 HydrophobicContact CB-CE2 3.78Å; D29-F240 HydrophobicContact CB-CZ 3.77Å
30T98.6Very high98.6Very high15 Ų1534.7 Ų34.79%0.09219%0.191CC..EExtended strand (participates in β ladder)trans-106.4112.4-178.5-57.70000111.5Y26 V27 D28 F32 A48 L178 Y208 R238Y26-T30 WeakPolarHBondContact CA-O 2.93Å; V27-T30 PolarHBondContact N-O 3.29Å; V27-T30 WeakPolarHBondContact O-CB 3.35Å; V27-T30 PolarHBondContact O-N 3.45Å; D28-T30 VanDerWaalsContact C-N 3.27Å; D28-T30 PolarHBondContact O-N 2.89Å; T30-F32 PolarHBondContact O-N 2.71Å; T30-A48 HydrophobicContact CG2-CB 4.47Å; T30-L178 HydrophobicContact CG2-CD2 4.09Å; T30-Y208 PolarHBondContact OG1-OH 3.3Å; T30-R238 PolarHBondContact OG1-NE 3.21Å
31Q98.6Very high98.5Very high54 Ų5434.5 Ų34.525%0.25220%0.201SC..EExtended strand (participates in β ladder)trans-67.8131.5172.3-167.5-179.81.400110.5V24 G25 Y26 V33 R47V24-Q31 VanDerWaalsContact CG1-NE2 3.29Å; G25-Q31 WeakPolarHBondContact O-CA 3.45Å; Y26-Q31 HydrophobicContact CD1-CB 4.1Å; Y26-Q31 HydrophobicContact CD2-CB 4.49Å; Y26-Q31 HydrophobicContact CD2-CG 4.35Å; Y26-Q31 HydrophobicContact CE1-CB 3.59Å; Y26-Q31 HydrophobicContact CE1-CG 4.34Å; Y26-Q31 HydrophobicContact CE2-CB 4.02Å; Y26-Q31 HydrophobicContact CE2-CG 3.83Å; Q31-V33 PolarHBondContact NE2-O 2.92Å; Q31-R47 HydrophobicContact CG-CB 4.13Å; Q31-R47 HydrophobicContact CG-CG 4.38Å; Q31-R47 CarbonylContact O-C 3.56Å
32F98.8Very high98.5Very high0 Ų035.9 Ų35.90%021%0.21CC..EExtended strand (participates in β ladder)trans-121.5-23.4-179.574.3-86.5000114.7M4 Y6 G25 Y26 V27 T30 R47 A48 W50 I51 Y170M4-F32 HydrophobicContact CG-CE1 4.42Å; M4-F32 HydrophobicContact SD-CZ 4.37Å; Y6-F32 HydrophobicContact CE1-CZ 4.12Å; Y6-F32 AromaticContact CZ-CZ 3.81Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.21Å; G25-F32 WeakPolarHBondContact O-CD1 3.11Å; G25-F32 PolarHBondContact O-N 2.67Å; Y26-F32 VanDerWaalsContact N-CE1 3.33Å; V27-F32 HydrophobicContact CG2-CD1 4.03Å; V27-F32 HydrophobicContact CG2-CE1 4.08Å; T30-F32 PolarHBondContact O-N 2.71Å; F32-R47 PolarHBondContact O-N 3.27Å; F32-A48 HydrophobicContact CB-CB 4.11Å; F32-W50 HydrophobicContact CB-CH2 3.15Å; F32-W50 HydrophobicContact CB-CZ2 3.35Å; F32-W50 HydrophobicContact CB-CZ3 3.99Å; F32-W50 AromaticContact CD1-CH2 3.99Å; F32-W50 HydrophobicContact CD1-CH2 3.99Å; F32-W50 AromaticContact CD2-CH2 3.83Å; F32-W50 HydrophobicContact CD2-CH2 3.83Å; F32-W50 HydrophobicContact CD2-CZ3 4.15Å; F32-W50 AromaticContact CG-CH2 3.42Å; F32-W50 HydrophobicContact CG-CH2 3.42Å; F32-W50 VanDerWaalsContact CG-CH2 3.42Å; F32-W50 HydrophobicContact CG-CZ2 4.08Å; F32-W50 HydrophobicContact CG-CZ3 4.18Å; F32-I51 HydrophobicContact CD2-CB 4.48Å; F32-I51 HydrophobicContact CD2-CD1 3.93Å; F32-I51 HydrophobicContact CD2-CG1 4.05Å; F32-I51 HydrophobicContact CE2-CD1 4.31Å; F32-I51 VanDerWaalsContact O-CG2 3.28Å; F32-I51 WeakPolarHBondContact O-CG2 3.39Å; F32-Y170 HydrophobicContact CE2-CD2 4.46Å; F32-Y170 AromaticContact CE2-CE2 3.77Å; F32-Y170 HydrophobicContact CE2-CE2 3.77Å; F32-Y170 HydrophobicContact CZ-CD2 4.44Å; F32-Y170 AromaticContact CZ-CE2 3.84Å; F32-Y170 HydrophobicContact CZ-CE2 3.84Å
33V98.8Very high98.4Very high2 Ų240.7 Ų40.71%0.01223%0.225CC..EExtended strand (participates in β ladder)trans-139.5154.5176.8-72.80000112.3Y6 V24 G25 Q31 T44 E45 I51 W59Y6-V33 HydrophobicContact CE1-CG2 3.96Å; V24-V33 WeakPolarHBondContact CA-O 3.49Å; G25-V33 PolarHBondContact N-O 3Å; G25-V33 VanDerWaalsContact N-O 3.1Å; Q31-V33 PolarHBondContact NE2-O 2.92Å; V33-T44 HydrophobicContact CB-CG2 4Å; V33-T44 HydrophobicContact CG1-CG2 3.99Å; V33-E45 WeakPolarHBondContact CA-O 3.47Å; V33-I51 HydrophobicContact CG1-CG1 4.41Å; V33-W59 HydrophobicContact CG1-CH2 4.26Å; V33-W59 HydrophobicContact CG1-CZ3 4.01Å
34R98.8Very high98.4Very high86 Ų8641 Ų4133%0.32523%0.227SC..EExtended strand (participates in β ladder)trans-140.7145.9169.2178.7174.7170.7177.9-3.5110.9A23 V24 D36 T44 E45 R47A23-R34 CarbonylContact O-C 3.57Å; A23-R34 WeakPolarHBondContact O-CA 3.34Å; V24-R34 HydrophobicContact CG1-CB 4.43Å; V24-R34 HydrophobicContact CG1-CG 4.24Å; R34-D36 IonicContact CZ-OD2 2.66Å; R34-D36 IonicContact NH2-OD2 3.71Å; R34-D36 PolarHBondContact NH2-OD2 3.23Å; R34-T44 WeakPolarHBondContact O-CA 3.28Å; R34-E45 PolarHBondContact N-O 2.95Å; R34-E45 PolarHBondContact O-N 3.06Å; R34-R47 HydrophobicContact CB-CG 4Å
35F98.9Very high98.4Very high2 Ų243 Ų431%0.00924%0.235CC..EExtended strand (participates in β ladder)trans-131.8141.4163.6177.4-84.6000109.1F21 I22 A23 P42 R43 F66 K67F21-F35 AromaticContact CD1-CD1 3.85Å; F21-F35 HydrophobicContact CD1-CD1 3.85Å; F21-F35 AromaticContact CD1-CE1 3.92Å; F21-F35 HydrophobicContact CD1-CE1 3.92Å; F21-F35 HydrophobicContact CE1-CD1 4.16Å; F21-F35 HydrophobicContact CE1-CE1 4.5Å; I22-F35 WeakPolarHBondContact CA-O 3.5Å; A23-F35 HydrophobicContact CB-CB 4.32Å; A23-F35 PolarHBondContact N-O 3.15Å; A23-F35 PolarHBondContact O-N 2.94Å; F35-P42 HydrophobicContact CE2-CB 3.89Å; F35-P42 HydrophobicContact CZ-CB 3.72Å; F35-R43 WeakPolarHBondContact CD2-O 3.46Å; F35-F66 HydrophobicContact CB-CB 4.06Å; F35-F66 HydrophobicContact CB-CD2 3.55Å; F35-F66 HydrophobicContact CB-CE2 4.15Å; F35-F66 HydrophobicContact CB-CG 3.86Å; F35-F66 HydrophobicContact CD1-CB 3.7Å; F35-F66 HydrophobicContact CD1-CG 4.36Å; F35-F66 HydrophobicContact CD2-CB 3.57Å; F35-F66 AromaticContact CD2-CD2 3.99Å; F35-F66 HydrophobicContact CD2-CD2 3.99Å; F35-F66 HydrophobicContact CD2-CG 4.18Å; F35-F66 HydrophobicContact CE1-CB 3.98Å; F35-F66 HydrophobicContact CE2-CB 3.87Å; F35-F66 HydrophobicContact CG-CB 3.49Å; F35-F66 VanDerWaalsContact CG-CB 3.49Å; F35-F66 AromaticContact CG-CD2 3.88Å; F35-F66 HydrophobicContact CG-CD2 3.88Å; F35-F66 AromaticContact CG-CG 3.88Å; F35-F66 HydrophobicContact CG-CG 3.88Å; F35-F66 HydrophobicContact CZ-CB 4.06Å; F35-K67 HydrophobicContact CE2-CG 4.21Å; F35-K67 HydrophobicContact CZ-CG 4.04Å
36D98.8Very high98.4Very high13 Ų1345.3 Ų45.37%0.0725%0.25CC..EExtended strand (participates in β ladder)trans-140118.7177.9-163.5-26.8000109.6R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 3.95Å; R20-D36 IonicContact CZ-OD2 3.01Å; R20-D36 IonicContact NE-OD1 3.32Å; R20-D36 PolarHBondContact NE-OD1 3.3Å; R20-D36 IonicContact NE-OD2 3.38Å; R20-D36 IonicContact NH2-OD1 3.98Å; R20-D36 PolarHBondContact NH2-OD1 2.97Å; R20-D36 IonicContact NH2-OD2 3.45Å; R20-D36 PolarHBondContact NH2-OD2 2.99Å; R34-D36 IonicContact CZ-OD2 2.66Å; R34-D36 IonicContact NH2-OD2 3.71Å; R34-D36 PolarHBondContact NH2-OD2 3.23Å; D36-D38 PolarHBondContact O-N 2.83Å; D36-D38 PolarHBondContact OD1-N 3.03Å; D36-A39 HydrophobicContact CB-CB 4.48Å; D36-A39 WeakPolarHBondContact O-CB 3.24Å; D36-A39 PolarHBondContact O-N 3.11Å
37S98.6Very high98.4Very high26 Ų2647.7 Ų47.718%0.18226%0.258CS..THydrogen-bonded Turntrans-65.8-20.8-178.7690000113.5R20 F21 P42R20-S37 WeakPolarHBondContact CA-OG 3.39Å; F21-S37 PolarHBondContact N-OG 3Å; F21-S37 PolarHBondContact O-N 3.07Å; F21-S37 PolarHBondContact O-OG 2.97Å; S37-P42 WeakPolarHBondContact O-CG 3.45Å
38D98.1Very high98.3Very high68 Ų6847.9 Ų47.936%0.36426%0.26SS..THydrogen-bonded Turntrans-87.9-3.8179.4-78.46.9000112.9R13 R20 D36R13-D38 IonicContact CZ-OD1 3.61Å; R13-D38 IonicContact CZ-OD2 2.7Å; R13-D38 IonicContact NH1-OD1 3.96Å; R13-D38 IonicContact NH1-OD2 2.73Å; R13-D38 PolarHBondContact NH1-OD2 2.83Å; R13-D38 IonicContact NH2-OD1 3.7Å; R13-D38 PolarHBondContact NH2-OD1 2.79Å; R13-D38 IonicContact NH2-OD2 3.59Å; R13-D38 PolarHBondContact NH2-OD2 2.85Å; R20-D38 VanDerWaalsContact CD-OD2 3.23Å; R20-D38 WeakPolarHBondContact CD-OD2 3.41Å; R20-D38 HydrophobicContact CG-CB 4.36Å; R20-D38 IonicContact NE-OD2 3.95Å; D36-D38 PolarHBondContact O-N 2.83Å; D36-D38 PolarHBondContact OD1-N 3.03Å
39A97.6Very high98.3Very high33 Ų3351.6 Ų51.627%0.27329%0.285SS..SBendtrans-62.2149.3173.400000110.8D36 S41 P42D36-A39 HydrophobicContact CB-CB 4.48Å; D36-A39 WeakPolarHBondContact O-CB 3.24Å; D36-A39 PolarHBondContact O-N 3.11Å; A39-S41 PolarHBondContact O-N 2.86Å; A39-S41 VanDerWaalsContact O-N 3.17Å; A39-P42 WeakPolarHBondContact O-CD 3.35Å; A39-P42 VanDerWaalsContact O-CG 3.29Å; A39-P42 WeakPolarHBondContact O-CG 3.46Å
40A97.4Very high98.2Very high117 Ų11749.4 Ų49.497%0.96727%0.272SS*.SBendtrans-58.5-31.9179.500000112.9
41S97.2Very high98.2Very high69 Ų6948.7 Ų48.748%0.48327%0.268SS..SBendtrans-134.687.6171.9-174.60000108.7A39 R43A39-S41 PolarHBondContact O-N 2.86Å; A39-S41 VanDerWaalsContact O-N 3.17Å; S41-R43 PolarHBondContact O-N 3.03Å; S41-R43 VanDerWaalsContact O-N 3.08Å
42P97.8Very high98.2Very high32 Ų3252.1 Ų52.121%0.20828%0.284CS..  trans-61.5113.9-174.3-25.736.1000111.9F35 S37 A39 K67F35-P42 HydrophobicContact CE2-CB 3.89Å; F35-P42 HydrophobicContact CZ-CB 3.72Å; S37-P42 WeakPolarHBondContact O-CG 3.45Å; A39-P42 WeakPolarHBondContact O-CD 3.35Å; A39-P42 VanDerWaalsContact O-CG 3.29Å; A39-P42 WeakPolarHBondContact O-CG 3.46Å; P42-K67 WeakPolarHBondContact O-CE 3.43Å
43R98.3Very high98.1Very high148 Ų14857.7 Ų57.756%0.55831%0.31SS*.  trans-143.1159.8178.9-65.6-173.3178.9-165.3-4.1110F35 S41 T63F35-R43 WeakPolarHBondContact CD2-O 3.46Å; S41-R43 PolarHBondContact O-N 3.03Å; S41-R43 VanDerWaalsContact O-N 3.08Å; R43-T63 HydrophobicContact CB-CG2 4.35Å; R43-T63 HydrophobicContact CG-CG2 4.22Å
44T98.5Very high98Very high8 Ų858.3 Ų58.35%0.04931%0.313CS..  trans-73.7126.7168.1-46.60000108.2V33 R34 W59 N62 T63 F66V33-T44 HydrophobicContact CB-CG2 4Å; V33-T44 HydrophobicContact CG1-CG2 3.99Å; R34-T44 WeakPolarHBondContact O-CA 3.28Å; T44-W59 HydrophobicContact CG2-CE3 4.11Å; T44-W59 HydrophobicContact CG2-CZ3 3.95Å; T44-N62 HydrophobicContact CG2-CB 4.32Å; T44-N62 VanDerWaalsContact OG1-C 3.29Å; T44-T63 PolarHBondContact N-OG1 2.98Å; T44-T63 WeakPolarHBondContact OG1-CA 3.33Å; T44-T63 PolarHBondContact OG1-N 3.3Å; T44-T63 VanDerWaalsContact OG1-N 3.1Å; T44-T63 PolarHBondContact OG1-OG1 3.01Å; T44-F66 HydrophobicContact CG2-CD2 4.28Å; T44-F66 HydrophobicContact CG2-CE2 3.76Å; T44-F66 VanDerWaalsContact OG1-CD2 3.25Å; T44-F66 WeakPolarHBondContact OG1-CD2 3.35Å
45E98.4Very high98Very high70 Ų7055.9 Ų55.933%0.32732%0.315SS..EExtended strand (participates in β ladder)trans-115.8139.1-175.9-63.7173.4157.200110.4V33 R34 R47V33-E45 WeakPolarHBondContact CA-O 3.47Å; R34-E45 PolarHBondContact N-O 2.95Å; R34-E45 PolarHBondContact O-N 3.06Å; E45-R47 IonicContact OE2-CZ 2.94Å; E45-R47 IonicContact OE2-NH2 2.79Å; E45-R47 PolarHBondContact OE2-NH2 3.28Å
46P98.5Very high97.9Very high48 Ų4860.4 Ų60.431%0.31235%0.345SS..EExtended strand (participates in β ladder)trans-66.7144173.328.3-33.9000111I51 E52 W59P46-I51 HydrophobicContact CB-CG2 3.73Å; P46-E52 HydrophobicContact CB-CG 3.77Å; P46-E52 HydrophobicContact CG-CG 4.1Å; P46-W59 HydrophobicContact CB-CH2 3.64Å; P46-W59 HydrophobicContact CB-CZ2 4.09Å; P46-W59 HydrophobicContact CB-CZ3 4.44Å; P46-W59 HydrophobicContact CG-CH2 4.26Å
47R98.4Very high97.9Very high118 Ų11867.8 Ų67.845%0.44538%0.378SS..  trans-128.6-0.2174.5-60-63.9173.9-161.94.1113.4Q31 F32 R34 E45Q31-R47 HydrophobicContact CG-CB 4.13Å; Q31-R47 HydrophobicContact CG-CG 4.38Å; Q31-R47 CarbonylContact O-C 3.56Å; F32-R47 PolarHBondContact O-N 3.27Å; R34-R47 HydrophobicContact CB-CG 4Å; E45-R47 IonicContact OE2-CZ 2.94Å; E45-R47 IonicContact OE2-NH2 2.79Å; E45-R47 PolarHBondContact OE2-NH2 3.28Å
48A97.7Very high97.9Very high4 Ų467.3 Ų67.33%0.03337%0.373CS..SBendtrans-138.6144.6173.100000110.7T30 F32 W50 I51T30-A48 HydrophobicContact CG2-CB 4.47Å; F32-A48 HydrophobicContact CB-CB 4.11Å; A48-W50 VanDerWaalsContact C-N 3.3Å; A48-W50 HydrophobicContact CB-CD2 4.22Å; A48-W50 HydrophobicContact CB-CG 4.41Å; A48-W50 HydrophobicContact CB-CZ2 4.04Å; A48-W50 PolarHBondContact O-N 3.25Å; A48-I51 WeakPolarHBondContact O-CG2 3.43Å; A48-I51 PolarHBondContact O-N 2.89Å
49P97.7Very high97.9Very high107 Ų10766.1 Ų66.170%0.69536%0.363SS*.G310 helixtrans-59-38.2-176.7-26.434.8000113.9I51 E52P49-I51 PolarHBondContact O-N 3.27Å; P49-E52 WeakPolarHBondContact O-CB 3.28Å; P49-E52 PolarHBondContact O-N 3Å; P49-E52 VanDerWaalsContact O-N 3.12Å
50W97.8Very high97.9Very high18 Ų1869.4 Ų69.47%0.06838%0.376CS..G310 helixtrans-69.4-15-175.753.7-105.5000114.2V27 F32 A48 Q53 Y170 L178V27-W50 HydrophobicContact CG2-CH2 3.92Å; V27-W50 HydrophobicContact CG2-CZ2 4.39Å; F32-W50 HydrophobicContact CB-CH2 3.15Å; F32-W50 HydrophobicContact CB-CZ2 3.35Å; F32-W50 HydrophobicContact CB-CZ3 3.99Å; F32-W50 AromaticContact CD1-CH2 3.99Å; F32-W50 HydrophobicContact CD1-CH2 3.99Å; F32-W50 AromaticContact CD2-CH2 3.83Å; F32-W50 HydrophobicContact CD2-CH2 3.83Å; F32-W50 HydrophobicContact CD2-CZ3 4.15Å; F32-W50 AromaticContact CG-CH2 3.42Å; F32-W50 HydrophobicContact CG-CH2 3.42Å; F32-W50 VanDerWaalsContact CG-CH2 3.42Å; F32-W50 HydrophobicContact CG-CZ2 4.08Å; F32-W50 HydrophobicContact CG-CZ3 4.18Å; A48-W50 VanDerWaalsContact C-N 3.3Å; A48-W50 HydrophobicContact CB-CD2 4.22Å; A48-W50 HydrophobicContact CB-CG 4.41Å; A48-W50 HydrophobicContact CB-CZ2 4.04Å; A48-W50 PolarHBondContact O-N 3.25Å; W50-Q53 WeakPolarHBondContact O-CG 3.38Å; W50-Q53 PolarHBondContact O-NE2 3.32Å; W50-Y170 HydrophobicContact CE3-CD1 4.31Å; W50-Y170 HydrophobicContact CE3-CG 4.48Å; W50-Y170 HydrophobicContact CH2-CD2 4.37Å; W50-Y170 HydrophobicContact CH2-CG 4.06Å; W50-Y170 AromaticContact CZ3-CD1 3.62Å; W50-Y170 HydrophobicContact CZ3-CD1 3.62Å; W50-Y170 HydrophobicContact CZ3-CD2 4.21Å; W50-Y170 HydrophobicContact CZ3-CE1 4.33Å; W50-Y170 AromaticContact CZ3-CG 3.56Å; W50-Y170 HydrophobicContact CZ3-CG 3.56Å; W50-L178 HydrophobicContact CD2-CD1 4.41Å; W50-L178 HydrophobicContact CH2-CD1 4.44Å; W50-L178 HydrophobicContact CZ2-CD1 3.86Å; W50-L178 HydrophobicContact CZ2-CD2 4.28Å
51I98.3Very high98Very high0 Ų070.8 Ų70.80%036%0.356CS..G310 helixtrans-88-19.8174.4-162.174.3000111.8F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-I51 HydrophobicContact CD2-CB 4.48Å; F32-I51 HydrophobicContact CD2-CD1 3.93Å; F32-I51 HydrophobicContact CD2-CG1 4.05Å; F32-I51 HydrophobicContact CE2-CD1 4.31Å; F32-I51 VanDerWaalsContact O-CG2 3.28Å; F32-I51 WeakPolarHBondContact O-CG2 3.39Å; V33-I51 HydrophobicContact CG1-CG1 4.41Å; P46-I51 HydrophobicContact CB-CG2 3.73Å; A48-I51 WeakPolarHBondContact O-CG2 3.43Å; A48-I51 PolarHBondContact O-N 2.89Å; P49-I51 PolarHBondContact O-N 3.27Å; I51-Q53 PolarHBondContact O-N 2.81Å; I51-Q53 VanDerWaalsContact O-N 3.13Å; I51-E54 HydrophobicContact CD1-CG 3.75Å; I51-E54 HydrophobicContact CG1-CG 4.18Å; I51-E54 WeakPolarHBondContact O-CB 3.39Å; I51-E54 WeakPolarHBondContact O-CG 3.45Å; I51-E54 PolarHBondContact O-N 3.33Å; I51-Y58 HydrophobicContact CD1-CE1 4.31Å; I51-Y58 HydrophobicContact CG1-CE1 4.27Å; I51-W59 HydrophobicContact CB-CH2 4.48Å; I51-W59 HydrophobicContact CG1-CH2 3.84Å; I51-W59 HydrophobicContact CG1-CZ2 4.13Å; I51-W59 HydrophobicContact CG2-CH2 3.97Å; I51-W59 HydrophobicContact CG2-CZ2 4.42Å; I51-W59 WeakPolarHBondContact O-CZ2 3.18Å; I51-Y170 HydrophobicContact CD1-CD1 3.84Å; I51-Y170 HydrophobicContact CD1-CE1 3.27Å
52E97.4Very high98Very high126 Ų12668.6 Ų68.659%0.58934%0.339SS*.THydrogen-bonded Turntrans-63.8-22.6-176.2-65.1-179.5-172.500113.4P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.77Å; P46-E52 HydrophobicContact CG-CG 4.1Å; P49-E52 WeakPolarHBondContact O-CB 3.28Å; P49-E52 PolarHBondContact O-N 3Å; P49-E52 VanDerWaalsContact O-N 3.12Å; E52-E54 PolarHBondContact O-N 3.15Å
53Q96.8Very high98.1Very high116 Ų11667.6 Ų67.654%0.54233%0.333SS..THydrogen-bonded Turntrans-71.7-12.7175.771-172.6-38.600114.1W50 I51 N173W50-Q53 WeakPolarHBondContact O-CG 3.38Å; W50-Q53 PolarHBondContact O-NE2 3.32Å; I51-Q53 PolarHBondContact O-N 2.81Å; I51-Q53 VanDerWaalsContact O-N 3.13Å; Q53-N173 PolarHBondContact NE2-ND2 3.24Å
54E98.1Very high98.1Very high15 Ų1566 Ų667%0.0733%0.331CS..SBendtrans-65.7137.3176-64-59.116200110.7I51 E52 Y58 W59 R169 N173I51-E54 HydrophobicContact CD1-CG 3.75Å; I51-E54 HydrophobicContact CG1-CG 4.18Å; I51-E54 WeakPolarHBondContact O-CB 3.39Å; I51-E54 WeakPolarHBondContact O-CG 3.45Å; I51-E54 PolarHBondContact O-N 3.33Å; E52-E54 PolarHBondContact O-N 3.15Å; E54-Y58 HydrophobicContact CB-CD1 3.78Å; E54-Y58 HydrophobicContact CB-CD2 4.39Å; E54-Y58 HydrophobicContact CB-CE1 4.42Å; E54-Y58 HydrophobicContact CB-CG 3.77Å; E54-Y58 HydrophobicContact CG-CD1 4.24Å; E54-Y58 HydrophobicContact CG-CD2 4.31Å; E54-Y58 HydrophobicContact CG-CE1 4.47Å; E54-Y58 HydrophobicContact CG-CG 4.17Å; E54-W59 PolarHBondContact O-NE1 3.25Å; E54-R169 IonicContact OE1-CZ 3.91Å; E54-R169 IonicContact OE1-NE 3.4Å; E54-R169 PolarHBondContact OE1-NE 2.96Å; E54-R169 IonicContact OE1-NH2 3.14Å; E54-R169 PolarHBondContact OE1-NH2 2.87Å; E54-R169 VanDerWaalsContact OE1-NH2 3.11Å; E54-R169 IonicContact OE2-CZ 3.84Å; E54-R169 IonicContact OE2-NE 3.16Å; E54-R169 IonicContact OE2-NH2 3.79Å; E54-R169 PolarHBondContact OE2-NH2 2.92Å; E54-N173 PolarHBondContact OE1-ND2 2.98Å
55G97.6Very high98.1Very high36 Ų3668.7 Ų68.737%0.37135%0.345SS..  trans-70.2168.9-175.700000114E57 Y58 W59G55-E57 PolarHBondContact O-N 3.09Å; G55-E57 VanDerWaalsContact O-N 3.16Å; G55-Y58 WeakPolarHBondContact O-CB 3.36Å; G55-Y58 PolarHBondContact O-N 3.07Å; G55-W59 VanDerWaalsContact O-CD1 3.25Å
56P97.8Very high98.1Very high97 Ų9765.4 Ų65.463%0.6333%0.33SS*.Hα-helixtrans-56.6-34.4-178.122.6-33.6000113.4Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.26Å; P56-Y58 PolarHBondContact O-N 3.19Å; P56-W59 PolarHBondContact O-N 3.42Å; P56-W59 VanDerWaalsContact O-N 3.13Å; P56-D60 WeakPolarHBondContact O-CB 3.04Å; P56-D60 PolarHBondContact O-N 3.37Å
57E98Very high98.1Very high167 Ų16767.4 Ų67.478%0.7833%0.333SS*.Hα-helixtrans-58.9-36.4177.6-63.3179.9-179.400112.8G55 R61G55-E57 PolarHBondContact O-N 3.09Å; G55-E57 VanDerWaalsContact O-N 3.16Å; E57-R61 WeakPolarHBondContact O-CB 3.19Å; E57-R61 PolarHBondContact O-N 2.9Å
58Y98.2Very high98.1Very high17 Ų1765.2 Ų65.27%0.06733%0.334CS..Hα-helixtrans-64.2-49.1175.2174.1-89000110.8I51 E54 G55 P56 N62 W166 Y170I51-Y58 HydrophobicContact CD1-CE1 4.31Å; I51-Y58 HydrophobicContact CG1-CE1 4.27Å; E54-Y58 HydrophobicContact CB-CD1 3.78Å; E54-Y58 HydrophobicContact CB-CD2 4.39Å; E54-Y58 HydrophobicContact CB-CE1 4.42Å; E54-Y58 HydrophobicContact CB-CG 3.77Å; E54-Y58 HydrophobicContact CG-CD1 4.24Å; E54-Y58 HydrophobicContact CG-CD2 4.31Å; E54-Y58 HydrophobicContact CG-CE1 4.47Å; E54-Y58 HydrophobicContact CG-CG 4.17Å; G55-Y58 WeakPolarHBondContact O-CB 3.36Å; G55-Y58 PolarHBondContact O-N 3.07Å; P56-Y58 VanDerWaalsContact C-N 3.26Å; P56-Y58 PolarHBondContact O-N 3.19Å; Y58-N62 WeakPolarHBondContact CD2-ND2 3.47Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.24Å; Y58-N62 WeakPolarHBondContact O-CB 3.22Å; Y58-N62 PolarHBondContact O-N 3.46Å; Y58-N62 PolarHBondContact O-ND2 3.32Å; Y58-W166 AromaticContact CD2-CH2 3.56Å; Y58-W166 HydrophobicContact CD2-CH2 3.56Å; Y58-W166 HydrophobicContact CD2-CZ2 4.13Å; Y58-W166 AromaticContact CD2-CZ3 3.93Å; Y58-W166 HydrophobicContact CD2-CZ3 3.93Å; Y58-W166 HydrophobicContact CE2-CE3 4.3Å; Y58-W166 AromaticContact CE2-CH2 3.86Å; Y58-W166 HydrophobicContact CE2-CH2 3.86Å; Y58-W166 HydrophobicContact CE2-CZ2 4.33Å; Y58-W166 AromaticContact CE2-CZ3 3.82Å; Y58-W166 HydrophobicContact CE2-CZ3 3.82Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.29Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.29Å; Y58-Y170 PolarHBondContact OH-OH 3.12Å
59W98.5Very high98.1Very high42 Ų4266.3 Ų66.316%0.15934%0.339CS..Hα-helixtrans-66.8-42.3-176.9-63.2110.6000112.1V33 T44 P46 I51 E54 G55 P56 T63V33-W59 HydrophobicContact CG1-CH2 4.26Å; V33-W59 HydrophobicContact CG1-CZ3 4.01Å; T44-W59 HydrophobicContact CG2-CE3 4.11Å; T44-W59 HydrophobicContact CG2-CZ3 3.95Å; P46-W59 HydrophobicContact CB-CH2 3.64Å; P46-W59 HydrophobicContact CB-CZ2 4.09Å; P46-W59 HydrophobicContact CB-CZ3 4.44Å; P46-W59 HydrophobicContact CG-CH2 4.26Å; I51-W59 HydrophobicContact CB-CH2 4.48Å; I51-W59 HydrophobicContact CG1-CH2 3.84Å; I51-W59 HydrophobicContact CG1-CZ2 4.13Å; I51-W59 HydrophobicContact CG2-CH2 3.97Å; I51-W59 HydrophobicContact CG2-CZ2 4.42Å; I51-W59 WeakPolarHBondContact O-CZ2 3.18Å; E54-W59 PolarHBondContact O-NE1 3.25Å; G55-W59 VanDerWaalsContact O-CD1 3.25Å; P56-W59 PolarHBondContact O-N 3.42Å; P56-W59 VanDerWaalsContact O-N 3.13Å; W59-T63 WeakPolarHBondContact O-CB 3.14Å; W59-T63 PolarHBondContact O-N 3.13Å; W59-T63 PolarHBondContact O-OG1 3.29Å
60D98.4Very high98.1Very high103 Ų10361.8 Ų61.855%0.55131%0.309SS*.Hα-helixtrans-66.5-45.9178.2-73.6-21.5000111.1P56 T63 Q64P56-D60 WeakPolarHBondContact O-CB 3.04Å; P56-D60 PolarHBondContact O-N 3.37Å; D60-T63 PolarHBondContact O-N 3.2Å; D60-Q64 WeakPolarHBondContact O-CB 3.29Å; D60-Q64 PolarHBondContact O-N 3.15Å
61R98.1Very high98.1Very high145 Ų14565.9 Ų65.955%0.54733%0.329SS..Hα-helixtrans-59.6-51.4176.7180-178.7173.4-174.8-1.3111.7E57 T63 Q64 I65E57-R61 WeakPolarHBondContact O-CB 3.19Å; E57-R61 PolarHBondContact O-N 2.9Å; R61-T63 VanDerWaalsContact C-N 3.34Å; R61-T63 PolarHBondContact O-N 2.63Å; R61-Q64 PolarHBondContact O-N 3.44Å; R61-I65 HydrophobicContact CG-CD1 4.01Å; R61-I65 WeakPolarHBondContact O-CG1 3.38Å; R61-I65 PolarHBondContact O-N 2.86Å
62N98.1Very high98.1Very high23 Ų2368.6 Ų68.612%0.12335%0.346CS..Hα-helixtrans-66.2-37.5-178.8-77.7-73000111.9T44 Y58 Q64 I65 F66T44-N62 HydrophobicContact CG2-CB 4.32Å; T44-N62 VanDerWaalsContact OG1-C 3.29Å; Y58-N62 WeakPolarHBondContact CD2-ND2 3.47Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.24Å; Y58-N62 WeakPolarHBondContact O-CB 3.22Å; Y58-N62 PolarHBondContact O-N 3.46Å; Y58-N62 PolarHBondContact O-ND2 3.32Å; N62-Q64 VanDerWaalsContact C-N 3.32Å; N62-Q64 PolarHBondContact O-N 3.47Å; N62-I65 PolarHBondContact O-N 3.14Å; N62-F66 HydrophobicContact CB-CE2 4.39Å; N62-F66 WeakPolarHBondContact O-CD2 3.02Å; N62-F66 PolarHBondContact O-N 3.03Å
63T98.6Very high98.1Very high12 Ų1263 Ų637%0.07432%0.319CS..Hα-helixtrans-59.9-44173.6-65.70000111.3R43 T44 W59 D60 R61 F66 K67R43-T63 HydrophobicContact CB-CG2 4.35Å; R43-T63 HydrophobicContact CG-CG2 4.22Å; T44-T63 PolarHBondContact N-OG1 2.98Å; T44-T63 WeakPolarHBondContact OG1-CA 3.33Å; T44-T63 PolarHBondContact OG1-N 3.3Å; T44-T63 VanDerWaalsContact OG1-N 3.1Å; T44-T63 PolarHBondContact OG1-OG1 3.01Å; W59-T63 WeakPolarHBondContact O-CB 3.14Å; W59-T63 PolarHBondContact O-N 3.13Å; W59-T63 PolarHBondContact O-OG1 3.29Å; D60-T63 PolarHBondContact O-N 3.2Å; R61-T63 VanDerWaalsContact C-N 3.34Å; R61-T63 PolarHBondContact O-N 2.63Å; T63-F66 PolarHBondContact O-N 2.77Å; T63-K67 HydrophobicContact CG2-CD 4.22Å; T63-K67 WeakPolarHBondContact O-CB 3.46Å; T63-K67 WeakPolarHBondContact O-CG 3.37Å; T63-K67 PolarHBondContact O-N 3.43Å
64Q98.5Very high98.2Very high113 Ų11359.8 Ų59.853%0.52830%0.302SS..Hα-helixtrans-66-39.7177.5-170.857.43200111.8D60 R61 N62 K67 T68D60-Q64 WeakPolarHBondContact O-CB 3.29Å; D60-Q64 PolarHBondContact O-N 3.15Å; R61-Q64 PolarHBondContact O-N 3.44Å; N62-Q64 VanDerWaalsContact C-N 3.32Å; N62-Q64 PolarHBondContact O-N 3.47Å; Q64-K67 PolarHBondContact O-N 2.73Å; Q64-T68 PolarHBondContact O-N 3.13Å; Q64-T68 PolarHBondContact O-OG1 3.02Å; Q64-T68 VanDerWaalsContact O-OG1 3.13Å
65I98.1Very high98.2Very high65 Ų6564.6 Ų64.633%0.33332%0.324SS..Hα-helixtrans-57.9-49.5174.3-70.6166.3000110.7R61 N62 K67 T68 N69R61-I65 HydrophobicContact CG-CD1 4.01Å; R61-I65 WeakPolarHBondContact O-CG1 3.38Å; R61-I65 PolarHBondContact O-N 2.86Å; N62-I65 PolarHBondContact O-N 3.14Å; I65-K67 PolarHBondContact O-N 3.43Å; I65-T68 PolarHBondContact O-N 3.45Å; I65-N69 PolarHBondContact O-N 3.24Å; I65-N69 PolarHBondContact O-ND2 3.41Å
66F98.5Very high98.2Very high2 Ų265.5 Ų65.51%0.00932%0.321CS..Hα-helixtrans-68.5-32.2179.7-65.3-47.7000113.5Y6 Y8 F21 A23 F35 T44 N62 T63 N69 T70Y6-F66 HydrophobicContact CD1-CZ 4.38Å; Y6-F66 HydrophobicContact CE1-CZ 4.25Å; Y8-F66 HydrophobicContact CE1-CD1 4.25Å; Y8-F66 AromaticContact CE1-CE1 3.6Å; Y8-F66 HydrophobicContact CE1-CE1 3.6Å; Y8-F66 AromaticContact CZ-CE1 3.73Å; Y8-F66 WeakPolarHBondContact OH-CE1 3.25Å; F21-F66 HydrophobicContact CE1-CB 4.29Å; F21-F66 HydrophobicContact CE1-CD1 4.2Å; A23-F66 HydrophobicContact CB-CD1 3.65Å; A23-F66 HydrophobicContact CB-CE1 3.52Å; A23-F66 HydrophobicContact CB-CG 4.33Å; A23-F66 HydrophobicContact CB-CZ 4.09Å; F35-F66 HydrophobicContact CB-CB 4.06Å; F35-F66 HydrophobicContact CB-CD2 3.55Å; F35-F66 HydrophobicContact CB-CE2 4.15Å; F35-F66 HydrophobicContact CB-CG 3.86Å; F35-F66 HydrophobicContact CD1-CB 3.7Å; F35-F66 HydrophobicContact CD1-CG 4.36Å; F35-F66 HydrophobicContact CD2-CB 3.57Å; F35-F66 AromaticContact CD2-CD2 3.99Å; F35-F66 HydrophobicContact CD2-CD2 3.99Å; F35-F66 HydrophobicContact CD2-CG 4.18Å; F35-F66 HydrophobicContact CE1-CB 3.98Å; F35-F66 HydrophobicContact CE2-CB 3.87Å; F35-F66 HydrophobicContact CG-CB 3.49Å; F35-F66 VanDerWaalsContact CG-CB 3.49Å; F35-F66 AromaticContact CG-CD2 3.88Å; F35-F66 HydrophobicContact CG-CD2 3.88Å; F35-F66 AromaticContact CG-CG 3.88Å; F35-F66 HydrophobicContact CG-CG 3.88Å; F35-F66 HydrophobicContact CZ-CB 4.06Å; T44-F66 HydrophobicContact CG2-CD2 4.28Å; T44-F66 HydrophobicContact CG2-CE2 3.76Å; T44-F66 VanDerWaalsContact OG1-CD2 3.25Å; T44-F66 WeakPolarHBondContact OG1-CD2 3.35Å; N62-F66 HydrophobicContact CB-CE2 4.39Å; N62-F66 WeakPolarHBondContact O-CD2 3.02Å; N62-F66 PolarHBondContact O-N 3.03Å; T63-F66 PolarHBondContact O-N 2.77Å; F66-N69 PolarHBondContact O-N 3.46Å; F66-T70 WeakPolarHBondContact O-CB 3.48Å; F66-T70 PolarHBondContact O-N 2.86Å; F66-T70 PolarHBondContact O-OG1 2.76Å
67K98.4Very high98.3Very high89 Ų8961.2 Ų61.239%0.38729%0.293SS..Hα-helixtrans-64.8-42.9171.2-76.6-179.8177.2-179.70112.1F35 P42 T63 Q64 I65 T70 Q71F35-K67 HydrophobicContact CE2-CG 4.21Å; F35-K67 HydrophobicContact CZ-CG 4.04Å; P42-K67 WeakPolarHBondContact O-CE 3.43Å; T63-K67 HydrophobicContact CG2-CD 4.22Å; T63-K67 WeakPolarHBondContact O-CB 3.46Å; T63-K67 WeakPolarHBondContact O-CG 3.37Å; T63-K67 PolarHBondContact O-N 3.43Å; Q64-K67 PolarHBondContact O-N 2.73Å; I65-K67 PolarHBondContact O-N 3.43Å; K67-T70 WeakPolarHBondContact O-CB 3.12Å; K67-T70 PolarHBondContact O-N 2.81Å; K67-Q71 PolarHBondContact O-N 2.95Å
68T98.4Very high98.2Very high73 Ų7359.3 Ų59.345%0.44828%0.278SS..Hα-helixtrans-61.8-48.7173.8-62.40000110.6Q64 I65 T70 Q71 T72Q64-T68 PolarHBondContact O-N 3.13Å; Q64-T68 PolarHBondContact O-OG1 3.02Å; Q64-T68 VanDerWaalsContact O-OG1 3.13Å; I65-T68 PolarHBondContact O-N 3.45Å; T68-T70 VanDerWaalsContact C-N 3.28Å; T68-T70 PolarHBondContact O-N 2.75Å; T68-Q71 PolarHBondContact O-N 3.42Å; T68-T72 PolarHBondContact O-N 3.46Å; T68-T72 PolarHBondContact O-OG1 3.14Å
69N98.1Very high98.2Very high26 Ų2660 Ų6014%0.13928%0.282CS..Hα-helixtrans-58-39.7176.6-78.9-36.6000112F21 I65 F66 Q71 T72 Y73F21-N69 HydrophobicContact CE1-CB 4.27Å; F21-N69 HydrophobicContact CE2-CB 4.29Å; F21-N69 HydrophobicContact CZ-CB 3.81Å; I65-N69 PolarHBondContact O-N 3.24Å; I65-N69 PolarHBondContact O-ND2 3.41Å; F66-N69 PolarHBondContact O-N 3.46Å; N69-Q71 PolarHBondContact O-N 3.15Å; N69-T72 PolarHBondContact O-N 3.3Å; N69-T72 VanDerWaalsContact O-N 3.11Å; N69-Y73 HydrophobicContact CB-CD2 4.24Å; N69-Y73 HydrophobicContact CB-CE2 4.39Å; N69-Y73 VanDerWaalsContact O-CD2 3.27Å; N69-Y73 WeakPolarHBondContact O-CD2 3.3Å; N69-Y73 PolarHBondContact O-N 2.83Å
70T98.3Very high98.2Very high12 Ų1258.3 Ų58.37%0.07428%0.278CS..Hα-helixtrans-53.7-39.9175.4-60.10000111.8F21 F66 K67 T68 R74F21-T70 HydrophobicContact CB-CG2 3.91Å; F21-T70 VanDerWaalsContact CD1-OG1 3.29Å; F21-T70 WeakPolarHBondContact CD1-OG1 3.46Å; F66-T70 WeakPolarHBondContact O-CB 3.48Å; F66-T70 PolarHBondContact O-N 2.86Å; F66-T70 PolarHBondContact O-OG1 2.76Å; K67-T70 WeakPolarHBondContact O-CB 3.12Å; K67-T70 PolarHBondContact O-N 2.81Å; T68-T70 VanDerWaalsContact C-N 3.28Å; T68-T70 PolarHBondContact O-N 2.75Å; T70-R74 WeakPolarHBondContact O-CB 3.47Å; T70-R74 PolarHBondContact O-N 3.01Å
71Q98.2Very high98.2Very high104 Ų10454.8 Ų54.849%0.48626%0.259SS..Hα-helixtrans-74.6-43.4176.2-58.4-52.9-43.600112.2K67 T68 N69 Y73 R74 E75K67-Q71 PolarHBondContact O-N 2.95Å; T68-Q71 PolarHBondContact O-N 3.42Å; N69-Q71 PolarHBondContact O-N 3.15Å; Q71-Y73 PolarHBondContact O-N 3.5Å; Q71-R74 WeakPolarHBondContact O-CB 3.49Å; Q71-R74 PolarHBondContact O-N 3.16Å; Q71-E75 PolarHBondContact O-N 2.84Å
72T98.2Very high98.2Very high57 Ų5755.5 Ų55.535%0.3526%0.261SS..Hα-helixtrans-57.8-46.5177-58.30000111.9T68 N69 R74 E75 N76T68-T72 PolarHBondContact O-N 3.46Å; T68-T72 PolarHBondContact O-OG1 3.14Å; N69-T72 PolarHBondContact O-N 3.3Å; N69-T72 VanDerWaalsContact O-N 3.11Å; T72-R74 VanDerWaalsContact C-N 3.34Å; T72-R74 PolarHBondContact O-N 3.14Å; T72-E75 PolarHBondContact O-N 2.73Å; T72-N76 PolarHBondContact O-N 2.84Å; T72-N76 PolarHBondContact O-ND2 2.86Å; T72-N76 PolarHBondContact O-OD1 3.35Å
73Y97.9Very high98.2Very high10 Ų1056.7 Ų56.74%0.03926%0.264CS..Hα-helixtrans-70.4-30.5-179.8-83.2-87.8000113.1Y8 A10 F21 N69 Q71 E75 N76 L77 I94 R96Y8-Y73 AromaticContact CD2-CE2 3.77Å; Y8-Y73 HydrophobicContact CD2-CE2 3.77Å; Y8-Y73 AromaticContact CD2-CZ 3.96Å; Y8-Y73 HydrophobicContact CE2-CE2 4.41Å; A10-Y73 HydrophobicContact CB-CD1 3.93Å; A10-Y73 HydrophobicContact CB-CG 4.04Å; F21-Y73 HydrophobicContact CD2-CD2 4.15Å; F21-Y73 HydrophobicContact CD2-CG 4.21Å; F21-Y73 AromaticContact CE2-CD2 3.56Å; F21-Y73 HydrophobicContact CE2-CD2 3.56Å; F21-Y73 AromaticContact CE2-CE2 3.99Å; F21-Y73 HydrophobicContact CE2-CE2 3.99Å; F21-Y73 HydrophobicContact CE2-CG 4Å; F21-Y73 HydrophobicContact CZ-CD2 4.45Å; N69-Y73 HydrophobicContact CB-CD2 4.24Å; N69-Y73 HydrophobicContact CB-CE2 4.39Å; N69-Y73 VanDerWaalsContact O-CD2 3.27Å; N69-Y73 WeakPolarHBondContact O-CD2 3.3Å; N69-Y73 PolarHBondContact O-N 2.83Å; Q71-Y73 PolarHBondContact O-N 3.5Å; Y73-E75 VanDerWaalsContact C-N 3.35Å; Y73-N76 PolarHBondContact O-N 2.9Å; Y73-L77 WeakPolarHBondContact O-CG 3.42Å; Y73-L77 PolarHBondContact O-N 2.76Å; Y73-I94 HydrophobicContact CD1-CB 4.15Å; Y73-I94 HydrophobicContact CD1-CG2 3.66Å; Y73-I94 HydrophobicContact CE1-CB 4.47Å; Y73-I94 HydrophobicContact CE1-CG2 3.53Å; Y73-R96 HydrophobicContact CE1-CB 4.49Å; Y73-R96 WeakPolarHBondContact OH-CB 3.39Å; Y73-R96 WeakPolarHBondContact OH-CD 3.49Å
74R97.9Very high98.2Very high48 Ų4859.2 Ų59.218%0.18127%0.273CS..Hα-helixtrans-62.2-43.5170.3177.8-174.9-62.8-179.5-3.6111.4E18 P19 T70 Q71 T72 R78E18-R74 VanDerWaalsContact CG-CZ 3.48Å; E18-R74 IonicContact OE1-NH1 3.52Å; E18-R74 WeakPolarHBondContact OE2-CD 3.35Å; E18-R74 IonicContact OE2-CZ 3.6Å; E18-R74 IonicContact OE2-NE 2.91Å; E18-R74 PolarHBondContact OE2-NE 3.25Å; E18-R74 IonicContact OE2-NH1 2.77Å; E18-R74 IonicContact OE2-NH2 3.37Å; P19-R74 HydrophobicContact CG-CG 4.16Å; T70-R74 WeakPolarHBondContact O-CB 3.47Å; T70-R74 PolarHBondContact O-N 3.01Å; Q71-R74 WeakPolarHBondContact O-CB 3.49Å; Q71-R74 PolarHBondContact O-N 3.16Å; T72-R74 VanDerWaalsContact C-N 3.34Å; T72-R74 PolarHBondContact O-N 3.14Å; R74-R78 PolarHBondContact O-N 3.26Å
75E98.2Very high98.1Very high115 Ų11561.2 Ų61.254%0.53729%0.287SS..Hα-helixtrans-66.4-43.3174.3-173.9174.9-176.400111.6Q71 T72 Y73 L77 R78 I79Q71-E75 PolarHBondContact O-N 2.84Å; T72-E75 PolarHBondContact O-N 2.73Å; Y73-E75 VanDerWaalsContact C-N 3.35Å; E75-L77 VanDerWaalsContact C-N 3.3Å; E75-L77 PolarHBondContact O-N 2.95Å; E75-R78 WeakPolarHBondContact O-CA 3.47Å; E75-R78 WeakPolarHBondContact O-CB 3.13Å; E75-R78 PolarHBondContact O-N 3.29Å; E75-I79 HydrophobicContact CG-CD1 3.99Å; E75-I79 HydrophobicContact CG-CG1 4.45Å; E75-I79 WeakPolarHBondContact O-CG1 3.38Å; E75-I79 PolarHBondContact O-N 2.91Å
76N98.3Very high98.1Very high56 Ų5661.1 Ų61.130%0.29929%0.286SS..Hα-helixtrans-59.8-38.2178.3-68.7-15.9000112.3T72 Y73 R78 I79 A80 I94T72-N76 PolarHBondContact O-N 2.84Å; T72-N76 PolarHBondContact O-ND2 2.86Å; T72-N76 PolarHBondContact O-OD1 3.35Å; Y73-N76 PolarHBondContact O-N 2.9Å; N76-R78 VanDerWaalsContact C-N 3.34Å; N76-R78 PolarHBondContact O-N 3.32Å; N76-I79 PolarHBondContact O-N 2.86Å; N76-A80 WeakPolarHBondContact O-CB 3.18Å; N76-A80 PolarHBondContact O-N 2.02Å; N76-I94 HydrophobicContact CB-CD1 3.68Å
77L98.5Very high98Very high6 Ų664.8 Ų64.83%0.03131%0.311CS..Hα-helixtrans-59.5-43.9173-78.3163000111.5A10 P19 Y73 E75 I79 A80 L81 H92 I94 Y117A10-L77 HydrophobicContact CB-CD1 4.2Å; P19-L77 HydrophobicContact CB-CD1 3.57Å; P19-L77 HydrophobicContact CG-CD1 3.73Å; Y73-L77 WeakPolarHBondContact O-CG 3.42Å; Y73-L77 PolarHBondContact O-N 2.76Å; E75-L77 VanDerWaalsContact C-N 3.3Å; E75-L77 PolarHBondContact O-N 2.95Å; L77-I79 VanDerWaalsContact C-N 3.33Å; L77-I79 PolarHBondContact O-N 3.06Å; L77-A80 PolarHBondContact O-N 3.17Å; L77-L81 WeakPolarHBondContact O-CG 3.41Å; L77-L81 PolarHBondContact O-N 2.77Å; L77-L81 VanDerWaalsContact O-N 3.1Å; L77-H92 HydrophobicContact CD2-CB 4.12Å; L77-I94 HydrophobicContact CD2-CD1 3.97Å; L77-I94 HydrophobicContact CD2-CG1 3.82Å; L77-I94 HydrophobicContact CG-CD1 3.9Å; L77-I94 HydrophobicContact CG-CG1 4.24Å; L77-Y117 HydrophobicContact CD2-CE2 4.4Å
78R97.9Very high97.8Very high128 Ų12868.4 Ų68.448%0.48333%0.33SS..Hα-helixtrans-66.5-35.2176.5-62.6172.2-174.3164.80.4112.2E18 R74 E75 N76 R82E18-R78 IonicContact OE1-NH2 3.64Å; E18-R78 IonicContact OE2-NH2 3.43Å; R74-R78 PolarHBondContact O-N 3.26Å; E75-R78 WeakPolarHBondContact O-CA 3.47Å; E75-R78 WeakPolarHBondContact O-CB 3.13Å; E75-R78 PolarHBondContact O-N 3.29Å; N76-R78 VanDerWaalsContact C-N 3.34Å; N76-R78 PolarHBondContact O-N 3.32Å; R78-R82 PolarHBondContact O-N 2.89Å
79I98.1Very high97.6Very high30 Ų3068.8 Ų68.815%0.15434%0.34CS..Hα-helixtrans-66.4-46.1174.6-69.8165.9000110.5E75 N76 L77 L81 R82 Y83E75-I79 HydrophobicContact CG-CD1 3.99Å; E75-I79 HydrophobicContact CG-CG1 4.45Å; E75-I79 WeakPolarHBondContact O-CG1 3.38Å; E75-I79 PolarHBondContact O-N 2.91Å; N76-I79 PolarHBondContact O-N 2.86Å; L77-I79 VanDerWaalsContact C-N 3.33Å; L77-I79 PolarHBondContact O-N 3.06Å; I79-L81 VanDerWaalsContact C-N 3.34Å; I79-L81 PolarHBondContact O-N 3.12Å; I79-R82 VanDerWaalsContact CG1-NH2 3.3Å; I79-R82 WeakPolarHBondContact O-CB 3.26Å; I79-R82 PolarHBondContact O-N 2.79Å; I79-R82 VanDerWaalsContact O-N 3.08Å; I79-Y83 HydrophobicContact CG2-CD1 4.19Å; I79-Y83 HydrophobicContact CG2-CD2 3.93Å; I79-Y83 HydrophobicContact CG2-CE1 3.73Å; I79-Y83 HydrophobicContact CG2-CE2 3.45Å; I79-Y83 VanDerWaalsContact CG2-CE2 3.45Å; I79-Y83 HydrophobicContact CG2-CG 4.28Å; I79-Y83 PolarHBondContact O-N 2.66Å
80A97.9Very high97.4Very high7 Ų768.8 Ų68.86%0.05835%0.347CS..Hα-helixtrans-60-43.7-179.500000111.5N76 L77 R82 Y83 Y84 Y117N76-A80 WeakPolarHBondContact O-CB 3.18Å; N76-A80 PolarHBondContact O-N 2.02Å; L77-A80 PolarHBondContact O-N 3.17Å; A80-R82 PolarHBondContact O-N 2.63Å; A80-Y83 PolarHBondContact O-N 2.83Å; A80-Y83 VanDerWaalsContact O-N 3.11Å; A80-Y84 WeakPolarHBondContact O-CD2 3.48Å; A80-Y84 PolarHBondContact O-N 2.92Å; A80-Y117 HydrophobicContact CB-CD2 3.98Å; A80-Y117 HydrophobicContact CB-CE1 4.13Å; A80-Y117 HydrophobicContact CB-CE2 3.48Å; A80-Y117 VanDerWaalsContact CB-CE2 3.48Å; A80-Y117 HydrophobicContact CB-CG 4.47Å
81L97.9Very high97.4Very high29 Ų2971.8 Ų71.815%0.15237%0.368CS..Hα-helixtrans-51.1-44.9172.9-72.7176.4000112.3L77 I79 N85 Q86 E88 H92L77-L81 WeakPolarHBondContact O-CG 3.41Å; L77-L81 PolarHBondContact O-N 2.77Å; L77-L81 VanDerWaalsContact O-N 3.1Å; I79-L81 VanDerWaalsContact C-N 3.34Å; I79-L81 PolarHBondContact O-N 3.12Å; L81-N85 WeakPolarHBondContact O-CA 3.32Å; L81-N85 PolarHBondContact O-N 2.81Å; L81-Q86 HydrophobicContact CD2-CB 3.65Å; L81-Q86 PolarHBondContact O-N 2.99Å; L81-E88 HydrophobicContact CD1-CG 4.47Å; L81-H92 WeakPolarHBondContact CD2-CD2 3.3Å; L81-H92 WeakPolarHBondContact CD2-NE2 3.32Å
82R97.9Very high97.4Very high160 Ų16067.6 Ų67.660%0.60435%0.348SS*.Hα-helixtrans-69.1-42.5178.6-67.7-172.6-66.2-1172.9112.6R78 I79 A80 Y84 N85R78-R82 PolarHBondContact O-N 2.89Å; I79-R82 VanDerWaalsContact CG1-NH2 3.3Å; I79-R82 WeakPolarHBondContact O-CB 3.26Å; I79-R82 PolarHBondContact O-N 2.79Å; I79-R82 VanDerWaalsContact O-N 3.08Å; A80-R82 PolarHBondContact O-N 2.63Å; R82-Y84 VanDerWaalsContact C-N 3.28Å; R82-Y84 PolarHBondContact O-N 2.84Å; R82-N85 PolarHBondContact O-N 3.18Å
83Y98.1Very high97.4Very high48 Ų4867.4 Ų67.419%0.18835%0.345CS..Hα-helixtrans-64.3-35.3-179.8-69.3-8.6000112.5I79 A80 A138 I141 K145I79-Y83 HydrophobicContact CG2-CD1 4.19Å; I79-Y83 HydrophobicContact CG2-CD2 3.93Å; I79-Y83 HydrophobicContact CG2-CE1 3.73Å; I79-Y83 HydrophobicContact CG2-CE2 3.45Å; I79-Y83 VanDerWaalsContact CG2-CE2 3.45Å; I79-Y83 HydrophobicContact CG2-CG 4.28Å; I79-Y83 PolarHBondContact O-N 2.66Å; A80-Y83 PolarHBondContact O-N 2.83Å; A80-Y83 VanDerWaalsContact O-N 3.11Å; Y83-A138 HydrophobicContact CD2-CB 4.44Å; Y83-I141 HydrophobicContact CD1-CD1 4.12Å; Y83-I141 HydrophobicContact CE1-CD1 4.24Å; Y83-I141 HydrophobicContact CE1-CG2 3.92Å; Y83-I141 HydrophobicContact CE2-CB 4.19Å; Y83-I141 HydrophobicContact CE2-CG2 4.17Å; Y83-I141 HydrophobicContact CG-CD1 4.35Å; Y83-I141 WeakPolarHBondContact OH-CG2 3.37Å; Y83-K145 PolarHBondContact OH-NZ 2.84Å
84Y98.1Very high97.5Very high66 Ų6667.8 Ų67.826%0.25935%0.347SS..THydrogen-bonded Turntrans-96.34.7-179.7-69.1-71.6000114.1A80 R82 Q86 Y117 Y122 D136 A138A80-Y84 WeakPolarHBondContact O-CD2 3.48Å; A80-Y84 PolarHBondContact O-N 2.92Å; R82-Y84 VanDerWaalsContact C-N 3.28Å; R82-Y84 PolarHBondContact O-N 2.84Å; Y84-Q86 PolarHBondContact O-N 2.83Å; Y84-Y117 AromaticContact CD2-CD1 3.68Å; Y84-Y117 HydrophobicContact CD2-CD1 3.68Å; Y84-Y117 AromaticContact CD2-CE1 3.48Å; Y84-Y117 HydrophobicContact CD2-CE1 3.48Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.48Å; Y84-Y117 AromaticContact CE2-CD1 3.45Å; Y84-Y117 HydrophobicContact CE2-CD1 3.45Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.45Å; Y84-Y117 AromaticContact CE2-CE1 3.79Å; Y84-Y117 HydrophobicContact CE2-CE1 3.79Å; Y84-Y117 HydrophobicContact CE2-CG 4.3Å; Y84-Y117 HydrophobicContact CG-CE1 4.28Å; Y84-Y122 HydrophobicContact CE2-CD2 4.39Å; Y84-Y122 HydrophobicContact CE2-CE2 4.08Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.29Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.4Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.48Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.46Å; Y84-D136 VanDerWaalsContact OH-CG 3.29Å; Y84-D136 PolarHBondContact OH-OD1 3Å; Y84-D136 PolarHBondContact OH-OD2 2.82Å; Y84-A138 HydrophobicContact CD1-CB 4.2Å; Y84-A138 HydrophobicContact CD2-CB 4.45Å; Y84-A138 HydrophobicContact CE1-CB 3.63Å; Y84-A138 HydrophobicContact CE2-CB 3.91Å; Y84-A138 VanDerWaalsContact CZ-CB 3.47Å
85N97.4Very high97.5Very high154 Ų15469.4 Ų69.482%0.82436%0.356SS*.THydrogen-bonded Turntrans51.741.3-176.2-55.8-60.9000113.2L81 R82L81-N85 WeakPolarHBondContact O-CA 3.32Å; L81-N85 PolarHBondContact O-N 2.81Å; R82-N85 PolarHBondContact O-N 3.18Å
86Q97.6Very high97.5Very high64 Ų6466.2 Ų66.230%0.29934%0.34SS..  trans-92.1154.9-176.8-70.4170.5-3600112.2L81 Y84 H92 Y117L81-Q86 HydrophobicContact CD2-CB 3.65Å; L81-Q86 PolarHBondContact O-N 2.99Å; Y84-Q86 PolarHBondContact O-N 2.83Å; Q86-H92 VanDerWaalsContact CD-CE1 3.43Å; Q86-H92 PolarHBondContact NE2-CE1 3.06Å; Q86-H92 PolarHBondContact OE1-CE1 3.28Å; Q86-Y117 VanDerWaalsContact OE1-CE1 3.32Å; Q86-Y117 PolarHBondContact OE1-OH 2.82Å
87S96Very high97.6Very high78 Ų7864.4 Ų64.455%0.54533%0.33SS..  trans-74.8145.9176.5166.30000112.1A89 G90S87-A89 PolarHBondContact O-N 2.94Å; S87-A89 WeakPolarHBondContact OG-CB 3.41Å; S87-A89 PolarHBondContact OG-N 2.8Å; S87-A89 VanDerWaalsContact OG-N 3.07Å; S87-G90 PolarHBondContact O-N 2.65Å
88E94.1Very high97.6Very high166 Ų16665.2 Ų65.278%0.77633%0.332SS*.THydrogen-bonded Turntrans-69.3-11.1173.1-61.5-171.7170.500113.8P14 L81 G90P14-E88 WeakPolarHBondContact CB-O 3.26Å; P14-E88 WeakPolarHBondContact CG-O 3.27Å; L81-E88 HydrophobicContact CD1-CG 4.47Å; E88-G90 VanDerWaalsContact C-N 3.31Å
89A94.7Very high97.6Very high81 Ų8159.1 Ų59.167%0.66931%0.309SS*.THydrogen-bonded Turntrans-77.7-17.7177.900000113.1S87S87-A89 PolarHBondContact O-N 2.94Å; S87-A89 WeakPolarHBondContact OG-CB 3.41Å; S87-A89 PolarHBondContact OG-N 2.8Å; S87-A89 VanDerWaalsContact OG-N 3.07Å
90G94.8Very high97.7Very high26 Ų2657.7 Ų57.727%0.26830%0.302SS..SBendtrans-77.3140.9-178.600000113.3P14 S87 E88 H92P14-G90 WeakPolarHBondContact CG-O 3.27Å; S87-G90 PolarHBondContact O-N 2.65Å; E88-G90 VanDerWaalsContact C-N 3.31Å; G90-H92 PolarHBondContact O-CD2 2.92Å
91S97.6Very high97.7Very high74 Ų7458.7 Ų58.752%0.51731%0.306SS..  trans-83.2130.3164.9-175.10000108.8S12S12-S91 PolarHBondContact O-OG 2.82Å
92H98.5Very high97.7Very high17 Ų1757.5 Ų57.58%0.07930%0.3CS..  trans-133.2153.1-175.6-64.8-76.8000110.8M11 S12 L77 L81 Q86 G90 Y117 D118M11-H92 WeakPolarHBondContact CA-O 3.38Å; S12-H92 PolarHBondContact N-O 3.28Å; S12-H92 PolarHBondContact OG-N 2.94Å; S12-H92 PolarHBondContact OG-O 2.98Å; L77-H92 HydrophobicContact CD2-CB 4.12Å; L81-H92 WeakPolarHBondContact CD2-CD2 3.3Å; L81-H92 WeakPolarHBondContact CD2-NE2 3.32Å; Q86-H92 VanDerWaalsContact CD-CE1 3.43Å; Q86-H92 PolarHBondContact NE2-CE1 3.06Å; Q86-H92 PolarHBondContact OE1-CE1 3.28Å; G90-H92 PolarHBondContact O-CD2 2.92Å; H92-Y117 HydrophobicContact CB-CE2 3.95Å; H92-Y117 VanDerWaalsContact CG-OH 3.29Å; H92-Y117 AromaticContact ND1-CZ 3.85Å; H92-Y117 PolarHBondContact ND1-OH 2.04Å; H92-D118 WeakPolarHBondContact CA-OD1 3.5Å; H92-D118 WeakPolarHBondContact CB-OD1 3.37Å; H92-D118 IonicContact CE1-OD2 2.84Å; H92-D118 IonicContact CG-OD1 3.53Å; H92-D118 IonicContact CG-OD2 2.68Å; H92-D118 IonicContact ND1-OD1 3.74Å; H92-D118 PolarHBondContact ND1-OD1 3.31Å; H92-D118 IonicContact ND1-OD2 3.61Å; H92-D118 PolarHBondContact ND1-OD2 3.06Å
93I98.7Very high97.6Very high53 Ų5350.3 Ų50.327%0.27228%0.276SS..EExtended strand (participates in β ladder)trans-127.7131.1-176.2-58.4176.5000109.7T9 A10 M11 Q95 Y117 D118T9-I93 HydrophobicContact CG2-CG2 3.97Å; A10-I93 CarbonylContact O-C 3.56Å; A10-I93 WeakPolarHBondContact O-CA 3.33Å; M11-I93 HydrophobicContact CB-CG1 4.27Å; M11-I93 HydrophobicContact CG-CD1 4.47Å; M11-I93 HydrophobicContact CG-CG1 3.97Å; M11-I93 HydrophobicContact SD-CD1 4.36Å; M11-I93 HydrophobicContact SD-CG1 4.5Å; I93-Q95 HydrophobicContact CG2-CG 3.88Å; I93-Y117 WeakPolarHBondContact O-CA 3.35Å; I93-Y117 WeakPolarHBondContact O-CD2 3.5Å; I93-D118 PolarHBondContact N-OD1 3.48Å; I93-D118 PolarHBondContact O-N 3.1Å
94I98.8Very high97.3Very high17 Ų1753.9 Ų53.99%0.08731%0.305CS..EExtended strand (participates in β ladder)trans-108.3133.1161.8-66.5173.3000108.1A10 Y73 N76 L77 A116 Y117A10-I94 PolarHBondContact N-O 3.2Å; A10-I94 PolarHBondContact O-N 3.02Å; Y73-I94 HydrophobicContact CD1-CB 4.15Å; Y73-I94 HydrophobicContact CD1-CG2 3.66Å; Y73-I94 HydrophobicContact CE1-CB 4.47Å; Y73-I94 HydrophobicContact CE1-CG2 3.53Å; N76-I94 HydrophobicContact CB-CD1 3.68Å; L77-I94 HydrophobicContact CD2-CD1 3.97Å; L77-I94 HydrophobicContact CD2-CG1 3.82Å; L77-I94 HydrophobicContact CG-CD1 3.9Å; L77-I94 HydrophobicContact CG-CG1 4.24Å; I94-A116 WeakPolarHBondContact CA-O 3.4Å; I94-Y117 HydrophobicContact CG1-CD2 3.67Å; I94-Y117 HydrophobicContact CG1-CE2 4.16Å
95Q98.8Very high97Very high82 Ų8255.6 Ų55.638%0.38332%0.319SS..EExtended strand (participates in β ladder)trans-118.4147.7170.9-65.3170.1-90.500110Y8 T9 I93 S115 A116Y8-Q95 CarbonylContact O-C 3.51Å; Y8-Q95 VanDerWaalsContact O-CA 3.25Å; Y8-Q95 WeakPolarHBondContact O-CA 3.17Å; T9-Q95 HydrophobicContact CG2-CG 4.33Å; I93-Q95 HydrophobicContact CG2-CG 3.88Å; Q95-S115 CarbonylContact O-C 3.57Å; Q95-S115 WeakPolarHBondContact O-CA 3.46Å; Q95-A116 HydrophobicContact CB-CB 4.38Å; Q95-A116 PolarHBondContact N-O 3.15Å; Q95-A116 PolarHBondContact O-N 3.19Å
96R98.7Very high96.7Very high49 Ų4949.2 Ų49.219%0.18529%0.289CS..EExtended strand (participates in β ladder)trans-137.1137.8168.4-178.6-179.3177.3-171.12.2110.1F7 Y8 Y73 Y98 D113 Q114F7-R96 WeakPolarHBondContact CA-O 3.5Å; Y8-R96 PolarHBondContact N-O 3.38Å; Y8-R96 PolarHBondContact O-N 2.77Å; Y73-R96 HydrophobicContact CE1-CB 4.49Å; Y73-R96 WeakPolarHBondContact OH-CB 3.39Å; Y73-R96 WeakPolarHBondContact OH-CD 3.49Å; R96-Y98 HydrophobicContact CG-CD1 4.28Å; R96-D113 IonicContact CZ-OD1 3.44Å; R96-D113 IonicContact NE-OD1 3.26Å; R96-D113 PolarHBondContact NE-OD1 3.48Å; R96-D113 IonicContact NE-OD2 2.76Å; R96-D113 IonicContact NH2-OD1 3.7Å; R96-D113 PolarHBondContact NH2-OD1 3.22Å; R96-D113 IonicContact NH2-OD2 3.65Å; R96-Q114 CarbonylContact C-O 3.5Å; R96-Q114 VanDerWaalsContact CA-O 3.27Å; R96-Q114 WeakPolarHBondContact CA-O 3.35Å; R96-Q114 WeakPolarHBondContact CG-O 3.19Å
97M98.8Very high96.6Very high18 Ų1854.5 Ų54.59%0.08931%0.306CS..EExtended strand (participates in β ladder)trans-122.3128.7168.3-175-77.2-68.300108.1R5 Y6 F7 H112 Q114R5-M97 HydrophobicContact CG-SD 4.49Å; R5-M97 PolarHBondContact NH1-SD 3.31Å; Y6-M97 WeakPolarHBondContact O-CA 3.29Å; F7-M97 HydrophobicContact CD1-CB 4.02Å; F7-M97 HydrophobicContact CD1-CG 3.66Å; F7-M97 HydrophobicContact CE1-CB 4.16Å; F7-M97 HydrophobicContact CE1-CG 3.37Å; F7-M97 HydrophobicContact CZ-CG 4.06Å; M97-H112 HydrophobicContact CE-CB 3.92Å; M97-H112 HydrophobicContact SD-CB 4.11Å; M97-Q114 HydrophobicContact CB-CG 4.24Å; M97-Q114 HydrophobicContact CE-CG 3.96Å; M97-Q114 VanDerWaalsContact CE-NE2 3.27Å; M97-Q114 PolarHBondContact N-O 3.19Å; M97-Q114 PolarHBondContact O-N 3.32Å
98Y98.8Very high96.7Very high23 Ų2353.3 Ų53.39%0.0929%0.294CS..EExtended strand (participates in β ladder)trans-145.4157.5172.673-85.9000110.7R5 Y6 Y8 R96 H112 D113 Y158R5-Y98 WeakPolarHBondContact CA-O 3.47Å; Y6-Y98 VanDerWaalsContact CB-CE1 3.47Å; Y6-Y98 VanDerWaalsContact CB-CZ 3.47Å; Y6-Y98 AromaticContact CD2-CE2 3.77Å; Y6-Y98 HydrophobicContact CD2-CE2 3.77Å; Y6-Y98 AromaticContact CD2-CZ 3.72Å; Y6-Y98 WeakPolarHBondContact CD2-OH 3.49Å; Y6-Y98 HydrophobicContact CG-CE1 4.25Å; Y6-Y98 HydrophobicContact CG-CE2 4.26Å; Y6-Y98 AromaticContact CG-CZ 3.74Å; Y6-Y98 PolarHBondContact N-O 3.21Å; Y6-Y98 PolarHBondContact O-N 3.44Å; Y6-Y98 VanDerWaalsContact O-N 3.16Å; Y8-Y98 HydrophobicContact CD2-CE1 4.41Å; Y8-Y98 AromaticContact CE1-CE1 3.84Å; Y8-Y98 HydrophobicContact CE1-CE1 3.84Å; Y8-Y98 AromaticContact CE2-CE1 3.78Å; Y8-Y98 HydrophobicContact CE2-CE1 3.78Å; Y8-Y98 AromaticContact CZ-CE1 3.45Å; Y8-Y98 VanDerWaalsContact CZ-CE1 3.45Å; Y8-Y98 AromaticContact CZ-CZ 3.93Å; Y8-Y98 PolarHBondContact OH-OH 3.4Å; R96-Y98 HydrophobicContact CG-CD1 4.28Å; Y98-H112 CarbonylContact C-O 3.59Å; Y98-H112 WeakPolarHBondContact CA-O 3.36Å; Y98-H112 VanDerWaalsContact CB-O 3.27Å; Y98-H112 WeakPolarHBondContact CB-O 3.45Å; Y98-D113 VanDerWaalsContact CB-OD1 3.24Å; Y98-D113 WeakPolarHBondContact CB-OD1 3.44Å; Y98-Y158 AromaticContact CD2-CE1 3.81Å; Y98-Y158 HydrophobicContact CD2-CE1 3.81Å; Y98-Y158 AromaticContact CE2-CE1 3.66Å; Y98-Y158 HydrophobicContact CE2-CE1 3.66Å; Y98-Y158 AromaticContact CE2-CZ 3.92Å
99G98.8Very high96.9Very high0 Ų051.5 Ų51.50%029%0.289CS..EExtended strand (participates in β ladder)trans156.5-173-178.500000113.9M4 H112 L159M4-G99 CarbonylContact O-C 3.59Å; M4-G99 WeakPolarHBondContact O-CA 3.32Å; G99-H112 PolarHBondContact N-O 2.92Å; G99-H112 PolarHBondContact O-N 3.46Å; G99-L159 WeakPolarHBondContact O-CD2 3.35Å
100C98.8Very high97Very high0 Ų052.5 Ų52.50%028%0.275CS..EExtended strand (participates in β ladder)trans-132.3146.8-173.250.60000111.2S3 M4 L108 R110 C163S3-C100 WeakPolarHBondContact CA-O 3.4Å; M4-C100 PolarHBondContact N-O 2.92Å; M4-C100 PolarHBondContact O-N 2.63Å; C100-L108 HydrophobicContact CB-CD1 3.61Å; C100-R110 WeakPolarHBondContact CA-O 3.39Å; C100-C163 HydrophobicContact CB-CB 3.92Å; C100-C163 WeakPolarHBondContact CB-SG 3.45Å; C100-C163 PolarHBondContact N-SG 2.9Å; C100-C163 WeakPolarHBondContact SG-CB 3.37Å; C100-C163 PolarHBondContact SG-O 3.24Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.09Å
101D98.6Very high97.2Very high28 Ų2851.4 Ų51.415%0.1526%0.264CS..EExtended strand (participates in β ladder)trans-111.1134.5173-55.4-27.2000109H2 S3 R5 L109 R110 H112H2-D101 CarbonylContact O-C 3.59Å; H2-D101 WeakPolarHBondContact O-CA 3.39Å; S3-D101 VanDerWaalsContact CB-OD1 3.22Å; S3-D101 WeakPolarHBondContact CB-OD1 3.44Å; R5-D101 IonicContact CZ-OD1 2.76Å; R5-D101 IonicContact NE-OD1 3.49Å; R5-D101 PolarHBondContact NE-OD1 3.25Å; R5-D101 IonicContact NH2-OD1 3.83Å; R5-D101 PolarHBondContact NH2-OD1 3.45Å; R5-D101 IonicContact NH2-OD2 2.62Å; R5-D101 PolarHBondContact NH2-OD2 2.8Å; R5-D101 VanDerWaalsContact NH2-OD2 3.14Å; D101-L109 PolarHBondContact O-N 2.85Å; D101-R110 HydrophobicContact CB-CB 4.45Å; D101-R110 PolarHBondContact N-O 3.07Å; D101-R110 PolarHBondContact O-N 2.86Å; D101-H112 IonicContact OD1-NE2 3.55Å; D101-H112 IonicContact OD2-CD2 3.84Å; D101-H112 IonicContact OD2-CE1 3.6Å; D101-H112 IonicContact OD2-NE2 3.52Å; D101-H112 PolarHBondContact OD2-NE2 3.08Å
102L98.1Very high97.2Very high3 Ų348.8 Ų48.82%0.01624%0.244CC..EExtended strand (participates in β ladder)trans-107.9136.1175.5-55.5-176.8000111.1S1 H2 R107 V164 L167 R168S1-L102 VanDerWaalsContact CA-O 3.27Å; S1-L102 WeakPolarHBondContact CA-O 3.07Å; S1-L102 VanDerWaalsContact CB-O 3.27Å; S1-L102 WeakPolarHBondContact CB-O 3.45Å; H2-L102 PolarHBondContact N-O 2.78Å; H2-L102 VanDerWaalsContact N-O 3.11Å; H2-L102 PolarHBondContact O-N 2.9Å; L102-R107 VanDerWaalsContact CA-O 3.26Å; L102-R107 WeakPolarHBondContact CA-O 3.33Å; L102-V164 HydrophobicContact CD2-CB 4.22Å; L102-V164 HydrophobicContact CD2-CG1 3.8Å; L102-V164 HydrophobicContact CD2-CG2 3.85Å; L102-L167 HydrophobicContact CD1-CB 4.28Å; L102-L167 HydrophobicContact CD1-CD2 3.64Å; L102-L167 HydrophobicContact CD1-CG 3.73Å; L102-L167 HydrophobicContact CG-CD2 3.58Å; L102-L167 HydrophobicContact CG-CG 4.26Å; L102-R168 HydrophobicContact CD1-CG 3.98Å
103G96.1Very high97.2Very high9 Ų948.1 Ų48.19%0.09324%0.241CC..  trans-67.6173.4166.900000112.3D105 G106 R107G103-D105 PolarHBondContact O-N 2.99Å; G103-G106 WeakPolarHBondContact O-CA 3.29Å; G103-G106 PolarHBondContact O-N 3.16Å; G103-R107 PolarHBondContact N-O 2.93Å
104P91.9Very high97.2Very high123 Ų12349.5 Ų49.580%0.79925%0.246SC*.THydrogen-bonded Turntrans-60.2-24.9175.7-22.934.1000114G106P104-G106 PolarHBondContact O-N 2.99Å
105D92.6Very high97.2Very high103 Ų10349.4 Ų49.455%0.55125%0.247SC*.THydrogen-bonded Turntrans-79.62.3174.268.5-13.4000113.2G103 R107G103-D105 PolarHBondContact O-N 2.99Å; D105-R107 PolarHBondContact O-N 2.91Å; D105-R107 WeakPolarHBondContact OD1-CB 3.11Å; D105-R107 PolarHBondContact OD1-N 3.43Å; D105-R107 VanDerWaalsContact OD2-CD 3.23Å; D105-R107 WeakPolarHBondContact OD2-CD 3.45Å; D105-R107 WeakPolarHBondContact OD2-CG 3.44Å; D105-R107 IonicContact OD2-NE 3.49Å; D105-R107 IonicContact OD2-NH1 2.63Å
106G90.8Very high97.2Very high20 Ų2046.2 Ų46.221%0.20623%0.234CC..SBendtrans72.18.7-178.800000114G103 P104 R168G103-G106 WeakPolarHBondContact O-CA 3.29Å; G103-G106 PolarHBondContact O-N 3.16Å; P104-G106 PolarHBondContact O-N 2.99Å; G106-R168 VanDerWaalsContact O-CZ 3.26Å; G106-R168 PolarHBondContact O-NE 3.37Å; G106-R168 PolarHBondContact O-NH2 2.87Å
107R95.6Very high97.3Very high174 Ų17444.5 Ų44.566%0.65723%0.228SC*.SBendtrans-86.7154.8176.7-63.2-173.5-179.9157.3-4111.1L102 G103 D105 L109L102-R107 VanDerWaalsContact CA-O 3.26Å; L102-R107 WeakPolarHBondContact CA-O 3.33Å; G103-R107 PolarHBondContact N-O 2.93Å; D105-R107 PolarHBondContact O-N 2.91Å; D105-R107 WeakPolarHBondContact OD1-CB 3.11Å; D105-R107 PolarHBondContact OD1-N 3.43Å; D105-R107 VanDerWaalsContact OD2-CD 3.23Å; D105-R107 WeakPolarHBondContact OD2-CD 3.45Å; D105-R107 WeakPolarHBondContact OD2-CG 3.44Å; D105-R107 IonicContact OD2-NE 3.49Å; D105-R107 IonicContact OD2-NH1 2.63Å; R107-L109 PolarHBondContact O-N 3.5Å; R107-L109 VanDerWaalsContact O-N 3.15Å
108L97.8Very high97.2Very high54 Ų5446.6 Ų46.628%0.28324%0.24SC..EExtended strand (participates in β ladder)trans-59.1119.3175.1-176.672000109.4C100 R110 L129 E160 V164C100-L108 HydrophobicContact CB-CD1 3.61Å; L108-R110 WeakPolarHBondContact CD1-O 3.37Å; L108-L129 HydrophobicContact CD2-CD1 4.29Å; L108-E160 HydrophobicContact CD2-CB 4.38Å; L108-E160 HydrophobicContact CD2-CG 3.66Å; L108-V164 HydrophobicContact CB-CG2 4.04Å; L108-V164 HydrophobicContact CD1-CG2 3.97Å
109L97.6Very high97.2Very high128 Ų12848.4 Ų48.467%0.6727%0.265SS*.EExtended strand (participates in β ladder)trans-89.9-44.6170.6-179.467.1000110.2D101 R107D101-L109 PolarHBondContact O-N 2.85Å; R107-L109 PolarHBondContact O-N 3.5Å; R107-L109 VanDerWaalsContact O-N 3.15Å
110R97.3Very high97.2Very high101 Ų10156 Ų5638%0.38130%0.298SS..EExtended strand (participates in β ladder)trans-156.8141.8-176.9-173.6172.2174.2146.17.8111.6C100 D101 L108 H112 E127C100-R110 WeakPolarHBondContact CA-O 3.39Å; D101-R110 HydrophobicContact CB-CB 4.45Å; D101-R110 PolarHBondContact N-O 3.07Å; D101-R110 PolarHBondContact O-N 2.86Å; L108-R110 WeakPolarHBondContact CD1-O 3.37Å; R110-H112 WeakPolarHBondContact CD-CE1 3.26Å; R110-H112 PolarHBondContact NE-CE1 3.45Å; R110-E127 VanDerWaalsContact CZ-CD 3.44Å; R110-E127 IonicContact CZ-OE1 2.77Å; R110-E127 IonicContact NE-OE1 2.73Å; R110-E127 IonicContact NH1-OE1 3.7Å; R110-E127 PolarHBondContact NH1-OE1 3.17Å; R110-E127 VanDerWaalsContact NH2-CG 3.3Å; R110-E127 IonicContact NH2-OE1 3.67Å; R110-E127 PolarHBondContact NH2-OE1 2.97Å
111G98.4Very high97.2Very high4 Ų462.1 Ų62.14%0.04133%0.331CS..EExtended strand (participates in β ladder)trans-106.2152.1167.300000111.1
112H98.6Very high97.2Very high19 Ų1962.1 Ų62.19%0.08833%0.329CS..EExtended strand (participates in β ladder)trans-134138.7-179.3-56.2-94.5000110.1R5 M97 Y98 G99 D101 R110R5-H112 PolarHBondContact NH2-NE2 2.61Å; R5-H112 VanDerWaalsContact NH2-NE2 3.14Å; M97-H112 HydrophobicContact CE-CB 3.92Å; M97-H112 HydrophobicContact SD-CB 4.11Å; Y98-H112 CarbonylContact C-O 3.59Å; Y98-H112 WeakPolarHBondContact CA-O 3.36Å; Y98-H112 VanDerWaalsContact CB-O 3.27Å; Y98-H112 WeakPolarHBondContact CB-O 3.45Å; G99-H112 PolarHBondContact N-O 2.92Å; G99-H112 PolarHBondContact O-N 3.46Å; D101-H112 IonicContact OD1-NE2 3.55Å; D101-H112 IonicContact OD2-CD2 3.84Å; D101-H112 IonicContact OD2-CE1 3.6Å; D101-H112 IonicContact OD2-NE2 3.52Å; D101-H112 PolarHBondContact OD2-NE2 3.08Å; R110-H112 WeakPolarHBondContact CD-CE1 3.26Å; R110-H112 PolarHBondContact NE-CE1 3.45Å
113D98.8Very high97.2Very high3 Ų362.2 Ų62.22%0.01633%0.329CS..EExtended strand (participates in β ladder)trans-152.6110.9162.8-173.877.5000108.5R96 Y98 L125 L155R96-D113 IonicContact CZ-OD1 3.44Å; R96-D113 IonicContact NE-OD1 3.26Å; R96-D113 PolarHBondContact NE-OD1 3.48Å; R96-D113 IonicContact NE-OD2 2.76Å; R96-D113 IonicContact NH2-OD1 3.7Å; R96-D113 PolarHBondContact NH2-OD1 3.22Å; R96-D113 IonicContact NH2-OD2 3.65Å; Y98-D113 VanDerWaalsContact CB-OD1 3.24Å; Y98-D113 WeakPolarHBondContact CB-OD1 3.44Å; D113-L125 HydrophobicContact CB-CB 3.94Å; D113-L125 HydrophobicContact CB-CD2 4.17Å; D113-L125 WeakPolarHBondContact O-CB 3.45Å; D113-L125 PolarHBondContact O-N 3.34Å; D113-L155 HydrophobicContact CB-CD1 4.17Å
114Q98.8Very high97.4Very high82 Ų8263 Ų6338%0.38334%0.335SS..EExtended strand (participates in β ladder)trans-142.9145-178.265.7-16922.100111.1R96 M97 I123 A124R96-Q114 CarbonylContact C-O 3.5Å; R96-Q114 VanDerWaalsContact CA-O 3.27Å; R96-Q114 WeakPolarHBondContact CA-O 3.35Å; R96-Q114 WeakPolarHBondContact CG-O 3.19Å; M97-Q114 HydrophobicContact CB-CG 4.24Å; M97-Q114 HydrophobicContact CE-CG 3.96Å; M97-Q114 VanDerWaalsContact CE-NE2 3.27Å; M97-Q114 PolarHBondContact N-O 3.19Å; M97-Q114 PolarHBondContact O-N 3.32Å; Q114-I123 WeakPolarHBondContact CA-O 3.22Å; Q114-A124 HydrophobicContact CB-CB 3.83Å
115S98.8Very high97.7Very high14 Ų1457.8 Ų57.810%0.09830%0.3CS..EExtended strand (participates in β ladder)trans-126.8148.2179.6-58.40000111.2Q95 Y122 I123Q95-S115 CarbonylContact O-C 3.57Å; Q95-S115 WeakPolarHBondContact O-CA 3.46Å; S115-Y122 WeakPolarHBondContact O-CB 3.27Å; S115-Y122 PolarHBondContact O-N 3.11Å; S115-I123 PolarHBondContact N-O 3.36Å; S115-I123 PolarHBondContact O-N 2.92Å
116A98.9Very high98Very high15 Ų1555 Ų5512%0.12429%0.285CS..EExtended strand (participates in β ladder)trans-126.9150.4176.200000110.6I94 Q95 K120I94-A116 WeakPolarHBondContact CA-O 3.4Å; Q95-A116 HydrophobicContact CB-CB 4.38Å; Q95-A116 PolarHBondContact N-O 3.15Å; Q95-A116 PolarHBondContact O-N 3.19Å; A116-K120 CarbonylContact C-O 3.59Å; A116-K120 WeakPolarHBondContact CA-O 3.15Å; A116-K120 WeakPolarHBondContact CB-O 3.3Å
117Y98.8Very high98.3Very high13 Ų1360.2 Ų60.25%0.05130%0.304CS..EExtended strand (participates in β ladder)trans-125126.7174.2-174.9-117.8000109.9L77 A80 Y84 Q86 H92 I93 I94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.4Å; A80-Y117 HydrophobicContact CB-CD2 3.98Å; A80-Y117 HydrophobicContact CB-CE1 4.13Å; A80-Y117 HydrophobicContact CB-CE2 3.48Å; A80-Y117 VanDerWaalsContact CB-CE2 3.48Å; A80-Y117 HydrophobicContact CB-CG 4.47Å; Y84-Y117 AromaticContact CD2-CD1 3.68Å; Y84-Y117 HydrophobicContact CD2-CD1 3.68Å; Y84-Y117 AromaticContact CD2-CE1 3.48Å; Y84-Y117 HydrophobicContact CD2-CE1 3.48Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.48Å; Y84-Y117 AromaticContact CE2-CD1 3.45Å; Y84-Y117 HydrophobicContact CE2-CD1 3.45Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.45Å; Y84-Y117 AromaticContact CE2-CE1 3.79Å; Y84-Y117 HydrophobicContact CE2-CE1 3.79Å; Y84-Y117 HydrophobicContact CE2-CG 4.3Å; Y84-Y117 HydrophobicContact CG-CE1 4.28Å; Q86-Y117 VanDerWaalsContact OE1-CE1 3.32Å; Q86-Y117 PolarHBondContact OE1-OH 2.82Å; H92-Y117 HydrophobicContact CB-CE2 3.95Å; H92-Y117 VanDerWaalsContact CG-OH 3.29Å; H92-Y117 AromaticContact ND1-CZ 3.85Å; H92-Y117 PolarHBondContact ND1-OH 2.04Å; I93-Y117 WeakPolarHBondContact O-CA 3.35Å; I93-Y117 WeakPolarHBondContact O-CD2 3.5Å; I94-Y117 HydrophobicContact CG1-CD2 3.67Å; I94-Y117 HydrophobicContact CG1-CE2 4.16Å; Y117-G119 PolarHBondContact O-N 2.92Å; Y117-K120 PolarHBondContact N-O 2.86Å; Y117-K120 PolarHBondContact O-N 3.19Å
118D98.4Very high98.4Very high63 Ų6355.8 Ų55.834%0.33729%0.294SS..THydrogen-bonded Turntrans48.840.7-176.1-65.7-21.3000113.6H92 I93 K120H92-D118 WeakPolarHBondContact CA-OD1 3.5Å; H92-D118 WeakPolarHBondContact CB-OD1 3.37Å; H92-D118 IonicContact CE1-OD2 2.84Å; H92-D118 IonicContact CG-OD1 3.53Å; H92-D118 IonicContact CG-OD2 2.68Å; H92-D118 IonicContact ND1-OD1 3.74Å; H92-D118 PolarHBondContact ND1-OD1 3.31Å; H92-D118 IonicContact ND1-OD2 3.61Å; H92-D118 PolarHBondContact ND1-OD2 3.06Å; I93-D118 PolarHBondContact N-OD1 3.48Å; I93-D118 PolarHBondContact O-N 3.1Å; D118-K120 VanDerWaalsContact C-N 3.31Å; D118-K120 PolarHBondContact O-N 2.91Å
119G97.8Very high98.4Very high60 Ų6053.6 Ų53.662%0.61928%0.282SS*.THydrogen-bonded Turntrans78.65.6177.800000115.3Y117Y117-G119 PolarHBondContact O-N 2.92Å
120K98.6Very high98.5Very high159 Ų15950.9 Ų50.969%0.69127%0.274SS*.EExtended strand (participates in β ladder)trans-111.8144.7175.4-63.5-179.2-179.1179.10110.9A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.59Å; A116-K120 WeakPolarHBondContact CA-O 3.15Å; A116-K120 WeakPolarHBondContact CB-O 3.3Å; Y117-K120 PolarHBondContact N-O 2.86Å; Y117-K120 PolarHBondContact O-N 3.19Å; D118-K120 VanDerWaalsContact C-N 3.31Å; D118-K120 PolarHBondContact O-N 2.91Å; K120-Y122 PolarHBondContact O-N 3.38Å
121D98.8Very high98.5Very high129 Ų12947.9 Ų47.969%0.6927%0.269SS*.EExtended strand (participates in β ladder)trans-52.9135.9173.9-68.6-20.6000110.6A135D121-A135 HydrophobicContact CB-CB 4.44Å; D121-A135 WeakPolarHBondContact O-CB 3.29Å
122Y98.8Very high98.5Very high29 Ų2948.3 Ų48.311%0.11427%0.269CS..EExtended strand (participates in β ladder)trans-113.9-62.2179.8-179.8-109.2000110Y84 S115 K120 A135 A138 A139 T142Y84-Y122 HydrophobicContact CE2-CD2 4.39Å; Y84-Y122 HydrophobicContact CE2-CE2 4.08Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.29Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.4Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.48Å; S115-Y122 WeakPolarHBondContact O-CB 3.27Å; S115-Y122 PolarHBondContact O-N 3.11Å; K120-Y122 PolarHBondContact O-N 3.38Å; Y122-A135 WeakPolarHBondContact O-CB 3.46Å; Y122-A135 PolarHBondContact O-N 3.01Å; Y122-A138 HydrophobicContact CE2-CB 4.39Å; Y122-A138 PolarHBondContact OH-O 3.2Å; Y122-A139 HydrophobicContact CD2-CB 3.86Å; Y122-A139 HydrophobicContact CE1-CB 4.43Å; Y122-A139 HydrophobicContact CE2-CB 3.72Å; Y122-A139 HydrophobicContact CG-CB 4.26Å; Y122-A139 WeakPolarHBondContact O-CB 3.44Å; Y122-T142 HydrophobicContact CE1-CG2 4.24Å; Y122-T142 PolarHBondContact OH-OG1 2.92Å
123I98.8Very high98.5Very high4 Ų451.1 Ų51.12%0.02129%0.287CS..EExtended strand (participates in β ladder)trans-150.5141.1179.5-161.5171.6000110.4Q114 S115 W132 T133 T142 Q143 W146Q114-I123 WeakPolarHBondContact CA-O 3.22Å; S115-I123 PolarHBondContact N-O 3.36Å; S115-I123 PolarHBondContact O-N 2.92Å; I123-W132 HydrophobicContact CD1-CB 4.38Å; I123-W132 HydrophobicContact CD1-CD2 4.41Å; I123-W132 HydrophobicContact CD1-CE3 4.18Å; I123-W132 HydrophobicContact CG1-CB 4.43Å; I123-W132 HydrophobicContact CG1-CE3 4Å; I123-T133 WeakPolarHBondContact CA-O 3.43Å; I123-T142 HydrophobicContact CD1-CG2 4.17Å; I123-Q143 HydrophobicContact CD1-CB 3.94Å; I123-W146 HydrophobicContact CD1-CE3 4.09Å; I123-W146 HydrophobicContact CD1-CZ3 4.36Å; I123-W146 HydrophobicContact CG2-CH2 4.15Å; I123-W146 HydrophobicContact CG2-CZ3 3.84Å
124A98.9Very high98.5Very high26 Ų2652 Ų5222%0.21530%0.295CS..EExtended strand (participates in β ladder)trans-134.5138.6178.300000111.5Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.83Å; A124-W132 WeakPolarHBondContact O-CA 3.35Å; A124-T133 PolarHBondContact N-O 2.79Å; A124-T133 PolarHBondContact O-N 2.8Å
125L98.9Very high98.5Very high14 Ų1451 Ų517%0.07330%0.301CS..EExtended strand (participates in β ladder)trans-71.9126.9168-175.667.9000108.2D113 L129 W132 A152 L155 L159D113-L125 HydrophobicContact CB-CB 3.94Å; D113-L125 HydrophobicContact CB-CD2 4.17Å; D113-L125 WeakPolarHBondContact O-CB 3.45Å; D113-L125 PolarHBondContact O-N 3.34Å; L125-L129 HydrophobicContact CD2-CB 4.46Å; L125-L129 HydrophobicContact CD2-CD2 3.78Å; L125-L129 HydrophobicContact CG-CD2 4.34Å; L125-W132 HydrophobicContact CB-CE3 4.03Å; L125-W132 HydrophobicContact CB-CH2 4.06Å; L125-W132 HydrophobicContact CB-CZ3 3.62Å; L125-W132 HydrophobicContact CD1-CD2 4.23Å; L125-W132 HydrophobicContact CD1-CE3 4.3Å; L125-W132 HydrophobicContact CD1-CH2 4Å; L125-W132 HydrophobicContact CD1-CZ2 3.91Å; L125-W132 HydrophobicContact CD1-CZ3 4.17Å; L125-W132 HydrophobicContact CG-CZ3 4.48Å; L125-A152 HydrophobicContact CD1-CB 3.92Å; L125-L155 HydrophobicContact CD2-CB 4.13Å; L125-L155 HydrophobicContact CD2-CD1 4.35Å; L125-L159 HydrophobicContact CD2-CD1 3.97Å
126N98.7Very high98.5Very high43 Ų4352.8 Ų52.823%0.2331%0.309CS..  trans-70.5163.1179.7-67.4-28.6000111.1D128 L129 S131 T133N126-D128 PolarHBondContact O-N 2.99Å; N126-L129 PolarHBondContact O-N 3.4Å; N126-S131 WeakPolarHBondContact CB-O 3.37Å; N126-S131 WeakPolarHBondContact CB-OG 3.41Å; N126-S131 PolarHBondContact N-O 2.98Å; N126-S131 PolarHBondContact ND2-OG 2.81Å; N126-T133 WeakPolarHBondContact OD1-CB 3.24Å; N126-T133 PolarHBondContact OD1-OG1 3.38Å
127E97.8Very high98.5Very high131 Ų13157.3 Ų57.361%0.61234%0.336SS*.THydrogen-bonded Turntrans-59-22.2-178.8-67.6-179.2-166.100113.6R110 L129R110-E127 VanDerWaalsContact CZ-CD 3.44Å; R110-E127 IonicContact CZ-OE1 2.77Å; R110-E127 IonicContact NE-OE1 2.73Å; R110-E127 IonicContact NH1-OE1 3.7Å; R110-E127 PolarHBondContact NH1-OE1 3.17Å; R110-E127 VanDerWaalsContact NH2-CG 3.3Å; R110-E127 IonicContact NH2-OE1 3.67Å; R110-E127 PolarHBondContact NH2-OE1 2.97Å; E127-L129 PolarHBondContact O-N 3.02Å
128D97.8Very high98.5Very high80 Ų8056.8 Ų56.843%0.42833%0.334SS..THydrogen-bonded Turntrans-71-7.9174.568.421.3000114.1N126 S130 S131N126-D128 PolarHBondContact O-N 2.99Å; D128-S130 PolarHBondContact O-N 3.46Å; D128-S130 VanDerWaalsContact O-N 3.17Å; D128-S130 WeakPolarHBondContact OD1-CA 3.42Å; D128-S130 PolarHBondContact OD1-N 3.43Å; D128-S130 PolarHBondContact OD1-OG 2.83Å; D128-S130 PolarHBondContact OD2-OG 3.32Å; D128-S131 VanDerWaalsContact CG-OG 3.28Å; D128-S131 PolarHBondContact OD1-N 3.18Å; D128-S131 PolarHBondContact OD1-OG 3.47Å; D128-S131 WeakPolarHBondContact OD2-CB 3.45Å; D128-S131 PolarHBondContact OD2-OG 2.97Å
129L98.3Very high98.5Very high9 Ų953.8 Ų53.85%0.04732%0.318CS..SBendtrans54.128.8-177.1-52.1-178000113.9L108 L125 N126 E127 R156 L159 E160L108-L129 HydrophobicContact CD2-CD1 4.29Å; L125-L129 HydrophobicContact CD2-CB 4.46Å; L125-L129 HydrophobicContact CD2-CD2 3.78Å; L125-L129 HydrophobicContact CG-CD2 4.34Å; N126-L129 PolarHBondContact O-N 3.4Å; E127-L129 PolarHBondContact O-N 3.02Å; L129-R156 HydrophobicContact CB-CB 4.07Å; L129-R156 HydrophobicContact CB-CG 3.9Å; L129-R156 HydrophobicContact CD1-CG 4.27Å; L129-L159 HydrophobicContact CD2-CD1 3.95Å; L129-E160 HydrophobicContact CD1-CG 4.22Å
130S98Very high98.5Very high70 Ų7054.5 Ų54.549%0.4931%0.306SS..SBendtrans-139.4-25.4-174.769.90000113.6D128 A152D128-S130 PolarHBondContact O-N 3.46Å; D128-S130 VanDerWaalsContact O-N 3.17Å; D128-S130 WeakPolarHBondContact OD1-CA 3.42Å; D128-S130 PolarHBondContact OD1-N 3.43Å; D128-S130 PolarHBondContact OD1-OG 2.83Å; D128-S130 PolarHBondContact OD2-OG 3.32Å; S130-A152 WeakPolarHBondContact O-CB 3.45Å
131S98.3Very high98.5Very high39 Ų3950 Ų5027%0.27329%0.288SS..  trans-121.8164.6-178.270.50000112.3N126 D128N126-S131 WeakPolarHBondContact CB-O 3.37Å; N126-S131 WeakPolarHBondContact CB-OG 3.41Å; N126-S131 PolarHBondContact N-O 2.98Å; N126-S131 PolarHBondContact ND2-OG 2.81Å; D128-S131 VanDerWaalsContact CG-OG 3.28Å; D128-S131 PolarHBondContact OD1-N 3.18Å; D128-S131 PolarHBondContact OD1-OG 3.47Å; D128-S131 WeakPolarHBondContact OD2-CB 3.45Å; D128-S131 PolarHBondContact OD2-OG 2.97Å
132W98.8Very high98.5Very high12 Ų1244.6 Ų44.65%0.04526%0.26CS..EExtended strand (participates in β ladder)trans-121.6144.8-174.3-61.494.6000111.6I123 A124 L125 Q143 W146 V151 A152 L155I123-W132 HydrophobicContact CD1-CB 4.38Å; I123-W132 HydrophobicContact CD1-CD2 4.41Å; I123-W132 HydrophobicContact CD1-CE3 4.18Å; I123-W132 HydrophobicContact CG1-CB 4.43Å; I123-W132 HydrophobicContact CG1-CE3 4Å; A124-W132 WeakPolarHBondContact O-CA 3.35Å; L125-W132 HydrophobicContact CB-CE3 4.03Å; L125-W132 HydrophobicContact CB-CH2 4.06Å; L125-W132 HydrophobicContact CB-CZ3 3.62Å; L125-W132 HydrophobicContact CD1-CD2 4.23Å; L125-W132 HydrophobicContact CD1-CE3 4.3Å; L125-W132 HydrophobicContact CD1-CH2 4Å; L125-W132 HydrophobicContact CD1-CZ2 3.91Å; L125-W132 HydrophobicContact CD1-CZ3 4.17Å; L125-W132 HydrophobicContact CG-CZ3 4.48Å; W132-Q143 HydrophobicContact CB-CG 4.03Å; W132-Q143 PolarHBondContact O-NE2 3.36Å; W132-W146 AromaticContact CD2-CE3 3.98Å; W132-W146 HydrophobicContact CD2-CE3 3.98Å; W132-W146 AromaticContact CE2-CE3 3.76Å; W132-W146 AromaticContact CE3-CE3 3.84Å; W132-W146 HydrophobicContact CE3-CE3 3.84Å; W132-W146 AromaticContact CE3-CZ3 3.95Å; W132-W146 HydrophobicContact CE3-CZ3 3.95Å; W132-W146 HydrophobicContact CH2-CD2 4.4Å; W132-W146 AromaticContact CH2-CE3 3.22Å; W132-W146 HydrophobicContact CH2-CE3 3.22Å; W132-W146 HydrophobicContact CH2-CH2 4.4Å; W132-W146 AromaticContact CH2-CZ3 3.23Å; W132-W146 HydrophobicContact CH2-CZ3 3.23Å; W132-W146 HydrophobicContact CZ2-CD2 4.3Å; W132-W146 AromaticContact CZ2-CE3 3.39Å; W132-W146 HydrophobicContact CZ2-CE3 3.39Å; W132-W146 AromaticContact CZ2-CZ3 3.93Å; W132-W146 HydrophobicContact CZ2-CZ3 3.93Å; W132-W146 AromaticContact CZ3-CE3 3.49Å; W132-W146 HydrophobicContact CZ3-CE3 3.49Å; W132-W146 VanDerWaalsContact CZ3-CE3 3.49Å; W132-W146 AromaticContact CZ3-CZ3 3.27Å; W132-W146 HydrophobicContact CZ3-CZ3 3.27Å; W132-V151 HydrophobicContact CH2-CG1 4.5Å; W132-V151 HydrophobicContact CZ2-CB 4.31Å; W132-V151 HydrophobicContact CZ2-CG1 4.07Å; W132-A152 HydrophobicContact CZ2-CB 4.23Å; W132-L155 HydrophobicContact CH2-CD1 3.36Å; W132-L155 HydrophobicContact CZ2-CD1 3.85Å; W132-L155 HydrophobicContact CZ3-CD1 4.46Å
133T98.8Very high98.5Very high78 Ų7845.1 Ų45.148%0.47926%0.263SS..EExtended strand (participates in β ladder)trans-106.8116.3163.8-65.90000108.9I123 A124 N126I123-T133 WeakPolarHBondContact CA-O 3.43Å; A124-T133 PolarHBondContact N-O 2.79Å; A124-T133 PolarHBondContact O-N 2.8Å; N126-T133 WeakPolarHBondContact OD1-CB 3.24Å; N126-T133 PolarHBondContact OD1-OG1 3.38Å
134A98.7Very high98.5Very high22 Ų2252.4 Ų52.418%0.18229%0.291CS..EExtended strand (participates in β ladder)trans-97.4131.317500000110.5A139 Q140 Q143A134-A139 HydrophobicContact CB-CB 3.75Å; A134-Q140 HydrophobicContact CB-CG 3.91Å; A134-Q143 HydrophobicContact CB-CB 4.41Å
135A98.6Very high98.4Very high62 Ų6256.7 Ų56.751%0.51231%0.305SS..SBendtrans-74-30.6-175.400000113.6D121 Y122D121-A135 HydrophobicContact CB-CB 4.44Å; D121-A135 WeakPolarHBondContact O-CB 3.29Å; Y122-A135 WeakPolarHBondContact O-CB 3.46Å; Y122-A135 PolarHBondContact O-N 3.01Å
136D98.4Very high98.4Very high50 Ų5059.1 Ų59.127%0.26731%0.313SS..SBendtrans-151.8-176.6-177.865.327.9000112.9Y84 A138 A139 Q140Y84-D136 WeakPolarHBondContact CE1-OD2 3.46Å; Y84-D136 VanDerWaalsContact OH-CG 3.29Å; Y84-D136 PolarHBondContact OH-OD1 3Å; Y84-D136 PolarHBondContact OH-OD2 2.82Å; D136-A138 VanDerWaalsContact C-N 3.28Å; D136-A138 PolarHBondContact O-N 2.94Å; D136-A138 WeakPolarHBondContact OD1-CA 3.09Å; D136-A138 WeakPolarHBondContact OD1-CB 3.5Å; D136-A138 PolarHBondContact OD1-N 2.77Å; D136-A139 PolarHBondContact O-N 3.35Å; D136-A139 PolarHBondContact OD1-N 3.22Å; D136-Q140 WeakPolarHBondContact O-CG 3.17Å; D136-Q140 PolarHBondContact O-N 2.73Å
137T98.4Very high98.4Very high110 Ų11061.7 Ų61.768%0.67532%0.323SS*.Hα-helixtrans-65.6-27.9-179.652.60000113.5
138A98.1Very high98.5Very high3 Ų359.6 Ų59.63%0.02533%0.328CS..Hα-helixtrans-72-41.7174.800000110.8Y83 Y84 Y122 D136 Q140 I141Y83-A138 HydrophobicContact CD2-CB 4.44Å; Y84-A138 HydrophobicContact CD1-CB 4.2Å; Y84-A138 HydrophobicContact CD2-CB 4.45Å; Y84-A138 HydrophobicContact CE1-CB 3.63Å; Y84-A138 HydrophobicContact CE2-CB 3.91Å; Y84-A138 VanDerWaalsContact CZ-CB 3.47Å; Y122-A138 HydrophobicContact CE2-CB 4.39Å; Y122-A138 PolarHBondContact OH-O 3.2Å; D136-A138 VanDerWaalsContact C-N 3.28Å; D136-A138 PolarHBondContact O-N 2.94Å; D136-A138 WeakPolarHBondContact OD1-CA 3.09Å; D136-A138 WeakPolarHBondContact OD1-CB 3.5Å; D136-A138 PolarHBondContact OD1-N 2.77Å; A138-Q140 VanDerWaalsContact C-N 3.33Å; A138-I141 WeakPolarHBondContact O-CB 3.45Å; A138-I141 PolarHBondContact O-N 3.33Å
139A98.5Very high98.5Very high0 Ų058.5 Ų58.50%033%0.33CS..Hα-helixtrans-64.8-34.8173.400000112.8Y122 A134 D136 I141 T142 Q143Y122-A139 HydrophobicContact CD2-CB 3.86Å; Y122-A139 HydrophobicContact CE1-CB 4.43Å; Y122-A139 HydrophobicContact CE2-CB 3.72Å; Y122-A139 HydrophobicContact CG-CB 4.26Å; Y122-A139 WeakPolarHBondContact O-CB 3.44Å; A134-A139 HydrophobicContact CB-CB 3.75Å; D136-A139 PolarHBondContact O-N 3.35Å; D136-A139 PolarHBondContact OD1-N 3.22Å; A139-I141 PolarHBondContact O-N 3.32Å; A139-T142 WeakPolarHBondContact O-CA 3.47Å; A139-T142 WeakPolarHBondContact O-CB 3.44Å; A139-T142 PolarHBondContact O-N 3.45Å; A139-Q143 PolarHBondContact O-N 2.87Å
140Q98.7Very high98.5Very high75 Ų7565.5 Ų65.535%0.3536%0.356SS..Hα-helixtrans-60.2-29.8174.2-74.1172.87.800112.9A134 D136 A138 T142 Q143 R144A134-Q140 HydrophobicContact CB-CG 3.91Å; D136-Q140 WeakPolarHBondContact O-CG 3.17Å; D136-Q140 PolarHBondContact O-N 2.73Å; A138-Q140 VanDerWaalsContact C-N 3.33Å; Q140-T142 VanDerWaalsContact C-N 3.34Å; Q140-Q143 PolarHBondContact O-N 2.65Å; Q140-R144 WeakPolarHBondContact O-CG 3.37Å; Q140-R144 PolarHBondContact O-N 2.9Å; Q140-R144 VanDerWaalsContact O-N 3.09Å
141I98.5Very high98.5Very high63 Ų6363.5 Ų63.532%0.32334%0.341SS..Hα-helixtrans-65.3-42.5173.8-58.5168.7000110Y83 A138 A139 K145Y83-I141 HydrophobicContact CD1-CD1 4.12Å; Y83-I141 HydrophobicContact CE1-CD1 4.24Å; Y83-I141 HydrophobicContact CE1-CG2 3.92Å; Y83-I141 HydrophobicContact CE2-CB 4.19Å; Y83-I141 HydrophobicContact CE2-CG2 4.17Å; Y83-I141 HydrophobicContact CG-CD1 4.35Å; Y83-I141 WeakPolarHBondContact OH-CG2 3.37Å; A138-I141 WeakPolarHBondContact O-CB 3.45Å; A138-I141 PolarHBondContact O-N 3.33Å; A139-I141 PolarHBondContact O-N 3.32Å; I141-K145 WeakPolarHBondContact O-CG 3.47Å; I141-K145 PolarHBondContact O-N 2.85Å
142T98.5Very high98.5Very high17 Ų1762 Ų6210%0.10433%0.331CS..Hα-helixtrans-66.9-44.2175.7-65.30000111.4Y122 I123 A139 Q140 R144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.24Å; Y122-T142 PolarHBondContact OH-OG1 2.92Å; I123-T142 HydrophobicContact CD1-CG2 4.17Å; A139-T142 WeakPolarHBondContact O-CA 3.47Å; A139-T142 WeakPolarHBondContact O-CB 3.44Å; A139-T142 PolarHBondContact O-N 3.45Å; Q140-T142 VanDerWaalsContact C-N 3.34Å; T142-R144 PolarHBondContact O-N 2.9Å; T142-K145 WeakPolarHBondContact O-CB 3.4Å; T142-K145 PolarHBondContact O-N 3.48Å; T142-K145 VanDerWaalsContact O-N 3.12Å; T142-W146 HydrophobicContact CG2-CD2 3.86Å; T142-W146 HydrophobicContact CG2-CE3 4.38Å; T142-W146 HydrophobicContact CG2-CG 4.17Å; T142-W146 HydrophobicContact CG2-CZ2 4.04Å; T142-W146 WeakPolarHBondContact O-CB 3.48Å; T142-W146 PolarHBondContact O-N 3.11Å
143Q98.7Very high98.5Very high39 Ų3966.6 Ų66.618%0.18235%0.353CS..Hα-helixtrans-51.9-52.5175.3176.5175.1800111.6I123 W132 A134 A139 Q140 K145 W146 E147I123-Q143 HydrophobicContact CD1-CB 3.94Å; W132-Q143 HydrophobicContact CB-CG 4.03Å; W132-Q143 PolarHBondContact O-NE2 3.36Å; A134-Q143 HydrophobicContact CB-CB 4.41Å; A139-Q143 PolarHBondContact O-N 2.87Å; Q140-Q143 PolarHBondContact O-N 2.65Å; Q143-K145 VanDerWaalsContact C-N 3.29Å; Q143-K145 PolarHBondContact O-N 2.85Å; Q143-W146 PolarHBondContact O-N 3.33Å; Q143-W146 VanDerWaalsContact O-N 3.07Å; Q143-E147 HydrophobicContact CG-CG 4.28Å; Q143-E147 VanDerWaalsContact CG-OE1 3.24Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.4Å; Q143-E147 PolarHBondContact NE2-OE1 3.02Å; Q143-E147 WeakPolarHBondContact O-CB 3.24Å; Q143-E147 WeakPolarHBondContact O-CG 3.38Å; Q143-E147 PolarHBondContact O-N 3.36Å
144R98.7Very high98.5Very high158 Ų15869.3 Ų69.360%0.59636%0.361SS*.Hα-helixtrans-58.6-39.5179.4-69.2171.2-167.5156.77.3112.6Q140 T142 A148Q140-R144 WeakPolarHBondContact O-CG 3.37Å; Q140-R144 PolarHBondContact O-N 2.9Å; Q140-R144 VanDerWaalsContact O-N 3.09Å; T142-R144 PolarHBondContact O-N 2.9Å; R144-A148 WeakPolarHBondContact O-CB 3.44Å; R144-A148 PolarHBondContact O-N 3.13Å
145K98.4Very high98.4Very high116 Ų11669.3 Ų69.350%0.50436%0.357SS..Hα-helixtrans-65.5-43.1176.1-71.9176.7175-177.50111.4Y83 I141 T142 Q143 A148 A149Y83-K145 PolarHBondContact OH-NZ 2.84Å; I141-K145 WeakPolarHBondContact O-CG 3.47Å; I141-K145 PolarHBondContact O-N 2.85Å; T142-K145 WeakPolarHBondContact O-CB 3.4Å; T142-K145 PolarHBondContact O-N 3.48Å; T142-K145 VanDerWaalsContact O-N 3.12Å; Q143-K145 VanDerWaalsContact C-N 3.29Å; Q143-K145 PolarHBondContact O-N 2.85Å; K145-A148 PolarHBondContact O-N 3.12Å; K145-A149 WeakPolarHBondContact O-CB 3.27Å; K145-A149 PolarHBondContact O-N 3.2Å
146W98.5Very high98.4Very high65 Ų6571.5 Ų71.525%0.24635%0.352CS..Hα-helixtrans-71.1-36.2-178.4-76.411.3000112.6I123 W132 T142 Q143 A149 R150 V151I123-W146 HydrophobicContact CD1-CE3 4.09Å; I123-W146 HydrophobicContact CD1-CZ3 4.36Å; I123-W146 HydrophobicContact CG2-CH2 4.15Å; I123-W146 HydrophobicContact CG2-CZ3 3.84Å; W132-W146 AromaticContact CD2-CE3 3.98Å; W132-W146 HydrophobicContact CD2-CE3 3.98Å; W132-W146 AromaticContact CE2-CE3 3.76Å; W132-W146 AromaticContact CE3-CE3 3.84Å; W132-W146 HydrophobicContact CE3-CE3 3.84Å; W132-W146 AromaticContact CE3-CZ3 3.95Å; W132-W146 HydrophobicContact CE3-CZ3 3.95Å; W132-W146 HydrophobicContact CH2-CD2 4.4Å; W132-W146 AromaticContact CH2-CE3 3.22Å; W132-W146 HydrophobicContact CH2-CE3 3.22Å; W132-W146 HydrophobicContact CH2-CH2 4.4Å; W132-W146 AromaticContact CH2-CZ3 3.23Å; W132-W146 HydrophobicContact CH2-CZ3 3.23Å; W132-W146 HydrophobicContact CZ2-CD2 4.3Å; W132-W146 AromaticContact CZ2-CE3 3.39Å; W132-W146 HydrophobicContact CZ2-CE3 3.39Å; W132-W146 AromaticContact CZ2-CZ3 3.93Å; W132-W146 HydrophobicContact CZ2-CZ3 3.93Å; W132-W146 AromaticContact CZ3-CE3 3.49Å; W132-W146 HydrophobicContact CZ3-CE3 3.49Å; W132-W146 VanDerWaalsContact CZ3-CE3 3.49Å; W132-W146 AromaticContact CZ3-CZ3 3.27Å; W132-W146 HydrophobicContact CZ3-CZ3 3.27Å; T142-W146 HydrophobicContact CG2-CD2 3.86Å; T142-W146 HydrophobicContact CG2-CE3 4.38Å; T142-W146 HydrophobicContact CG2-CG 4.17Å; T142-W146 HydrophobicContact CG2-CZ2 4.04Å; T142-W146 WeakPolarHBondContact O-CB 3.48Å; T142-W146 PolarHBondContact O-N 3.11Å; Q143-W146 PolarHBondContact O-N 3.33Å; Q143-W146 VanDerWaalsContact O-N 3.07Å; W146-A149 CarbonylContact O-C 3.51Å; W146-A149 PolarHBondContact O-N 3.25Å; W146-R150 PolarHBondContact O-N 2.79Å; W146-V151 HydrophobicContact CB-CB 3.96Å; W146-V151 HydrophobicContact CB-CG2 3.92Å; W146-V151 HydrophobicContact CD2-CB 4.45Å; W146-V151 HydrophobicContact CD2-CG1 4.22Å; W146-V151 HydrophobicContact CE3-CG1 4.44Å; W146-V151 HydrophobicContact CG-CB 4.09Å; W146-V151 HydrophobicContact CG-CG1 4.36Å; W146-V151 HydrophobicContact CG-CG2 3.87Å; W146-V151 PolarHBondContact O-N 2.88Å
147E98.6Very high98.5Very high96 Ų9672.3 Ų72.345%0.44937%0.366SS..Hα-helixtrans-63.8-49171.2-72.7169.2173.400111Q143 A149 R150Q143-E147 HydrophobicContact CG-CG 4.28Å; Q143-E147 VanDerWaalsContact CG-OE1 3.24Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.4Å; Q143-E147 PolarHBondContact NE2-OE1 3.02Å; Q143-E147 WeakPolarHBondContact O-CB 3.24Å; Q143-E147 WeakPolarHBondContact O-CG 3.38Å; Q143-E147 PolarHBondContact O-N 3.36Å; E147-A149 PolarHBondContact O-N 3.26Å; E147-R150 PolarHBondContact O-N 3.49Å
148A98.5Very high98.5Very high87 Ų8769.8 Ų69.872%0.71934%0.344SS*.Hα-helixtrans-60.5-34.5177.600000112.8R144 K145R144-A148 WeakPolarHBondContact O-CB 3.44Å; R144-A148 PolarHBondContact O-N 3.13Å; K145-A148 PolarHBondContact O-N 3.12Å
149A98.3Very high98.5Very high57 Ų5769.7 Ų69.747%0.47134%0.343SS..THydrogen-bonded Turntrans-90.83.5177.900000114.2K145 W146 E147 V151K145-A149 WeakPolarHBondContact O-CB 3.27Å; K145-A149 PolarHBondContact O-N 3.2Å; W146-A149 CarbonylContact O-C 3.51Å; W146-A149 PolarHBondContact O-N 3.25Å; E147-A149 PolarHBondContact O-N 3.26Å; A149-V151 VanDerWaalsContact C-N 3.25Å; A149-V151 HydrophobicContact CB-CG2 4.05Å; A149-V151 PolarHBondContact O-N 2.98Å
150R98.2Very high98.5Very high156 Ų15674 Ų7459%0.58936%0.363SS*.THydrogen-bonded Turntrans51.141.2-178.7-62.9175.2172.7-121.65.5113.5W146 E147 A152 E153W146-R150 PolarHBondContact O-N 2.79Å; E147-R150 PolarHBondContact O-N 3.49Å; R150-A152 PolarHBondContact O-N 2.71Å; R150-E153 HydrophobicContact CB-CG 4.3Å; R150-E153 WeakPolarHBondContact CD-OE1 3.34Å; R150-E153 IonicContact CZ-OE1 2.95Å; R150-E153 IonicContact NE-OE1 3.36Å; R150-E153 IonicContact NH1-OE1 3.58Å; R150-E153 PolarHBondContact NH1-OE1 2.67Å; R150-E153 IonicContact NH1-OE2 3.89Å; R150-E153 PolarHBondContact O-N 2.82Å
151V98.6Very high98.4Very high29 Ų2971.4 Ų71.418%0.17636%0.357CS..Hα-helixtrans-61.8-34.7-177.4175.90000111.8W132 W146 A149 E153 Q154 L155W132-V151 HydrophobicContact CH2-CG1 4.5Å; W132-V151 HydrophobicContact CZ2-CB 4.31Å; W132-V151 HydrophobicContact CZ2-CG1 4.07Å; W146-V151 HydrophobicContact CB-CB 3.96Å; W146-V151 HydrophobicContact CB-CG2 3.92Å; W146-V151 HydrophobicContact CD2-CB 4.45Å; W146-V151 HydrophobicContact CD2-CG1 4.22Å; W146-V151 HydrophobicContact CE3-CG1 4.44Å; W146-V151 HydrophobicContact CG-CB 4.09Å; W146-V151 HydrophobicContact CG-CG1 4.36Å; W146-V151 HydrophobicContact CG-CG2 3.87Å; W146-V151 PolarHBondContact O-N 2.88Å; A149-V151 VanDerWaalsContact C-N 3.25Å; A149-V151 HydrophobicContact CB-CG2 4.05Å; A149-V151 PolarHBondContact O-N 2.98Å; V151-E153 VanDerWaalsContact C-N 3.3Å; V151-E153 PolarHBondContact O-N 2.86Å; V151-Q154 PolarHBondContact O-N 3.16Å; V151-L155 HydrophobicContact CG1-CD1 3.96Å; V151-L155 HydrophobicContact CG1-CG 4.3Å; V151-L155 PolarHBondContact O-N 3.28Å; V151-L155 VanDerWaalsContact O-N 3.08Å
152A98.6Very high98.4Very high8 Ų871.4 Ų71.47%0.06636%0.357CS..Hα-helixtrans-59.6-38.5178.200000112.4L125 S130 W132 R150 Q154 L155 R156L125-A152 HydrophobicContact CD1-CB 3.92Å; S130-A152 WeakPolarHBondContact O-CB 3.45Å; W132-A152 HydrophobicContact CZ2-CB 4.23Å; R150-A152 PolarHBondContact O-N 2.71Å; A152-Q154 VanDerWaalsContact C-N 3.33Å; A152-Q154 PolarHBondContact O-N 3.38Å; A152-L155 PolarHBondContact O-N 2.9Å; A152-R156 VanDerWaalsContact O-CB 3.26Å; A152-R156 WeakPolarHBondContact O-CB 3.49Å; A152-R156 PolarHBondContact O-N 3.01Å
153E98.3Very high98.4Very high108 Ų10870.6 Ų70.651%0.50535%0.352SS..Hα-helixtrans-63.1-39.1178.1-63.5175.8-159.300111.7R150 V151 A157R150-E153 HydrophobicContact CB-CG 4.3Å; R150-E153 WeakPolarHBondContact CD-OE1 3.34Å; R150-E153 IonicContact CZ-OE1 2.95Å; R150-E153 IonicContact NE-OE1 3.36Å; R150-E153 IonicContact NH1-OE1 3.58Å; R150-E153 PolarHBondContact NH1-OE1 2.67Å; R150-E153 IonicContact NH1-OE2 3.89Å; R150-E153 PolarHBondContact O-N 2.82Å; V151-E153 VanDerWaalsContact C-N 3.3Å; V151-E153 PolarHBondContact O-N 2.86Å; E153-A157 WeakPolarHBondContact O-CB 3.4Å; E153-A157 PolarHBondContact O-N 3.08Å
154Q98Very high98.4Very high135 Ų13569 Ų6963%0.63135%0.345SS*.Hα-helixtrans-68.5-43.2177.7-60.317837.200111.7V151 A152 A157 Y158V151-Q154 PolarHBondContact O-N 3.16Å; A152-Q154 VanDerWaalsContact C-N 3.33Å; A152-Q154 PolarHBondContact O-N 3.38Å; Q154-A157 PolarHBondContact O-N 3.3Å; Q154-Y158 PolarHBondContact O-N 2.91Å; Q154-Y158 VanDerWaalsContact O-N 3.11Å
155L98.4Very high98.4Very high21 Ų2167.1 Ų67.111%0.1134%0.343CS..Hα-helixtrans-66.1-42.6177.3-69.4172000111.2D113 L125 W132 V151 A152 A157 Y158 L159D113-L155 HydrophobicContact CB-CD1 4.17Å; L125-L155 HydrophobicContact CD2-CB 4.13Å; L125-L155 HydrophobicContact CD2-CD1 4.35Å; W132-L155 HydrophobicContact CH2-CD1 3.36Å; W132-L155 HydrophobicContact CZ2-CD1 3.85Å; W132-L155 HydrophobicContact CZ3-CD1 4.46Å; V151-L155 HydrophobicContact CG1-CD1 3.96Å; V151-L155 HydrophobicContact CG1-CG 4.3Å; V151-L155 PolarHBondContact O-N 3.28Å; V151-L155 VanDerWaalsContact O-N 3.08Å; A152-L155 PolarHBondContact O-N 2.9Å; L155-A157 PolarHBondContact O-N 3.24Å; L155-Y158 PolarHBondContact O-N 2.98Å; L155-L159 WeakPolarHBondContact O-CB 3.36Å; L155-L159 WeakPolarHBondContact O-CG 3.49Å; L155-L159 PolarHBondContact O-N 2.8Å
156R98.6Very high98.4Very high109 Ų10964.5 Ų64.541%0.41133%0.33SS..Hα-helixtrans-57.5-48.2174.6-176.1175.7175.4179.91111.4L129 A152 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.07Å; L129-R156 HydrophobicContact CB-CG 3.9Å; L129-R156 HydrophobicContact CD1-CG 4.27Å; A152-R156 VanDerWaalsContact O-CB 3.26Å; A152-R156 WeakPolarHBondContact O-CB 3.49Å; A152-R156 PolarHBondContact O-N 3.01Å; R156-Y158 VanDerWaalsContact C-N 3.28Å; R156-Y158 PolarHBondContact O-N 3.06Å; R156-L159 PolarHBondContact O-N 2.88Å; R156-E160 HydrophobicContact CG-CG 4.14Å; R156-E160 IonicContact CZ-OE1 2.74Å; R156-E160 IonicContact CZ-OE2 3.12Å; R156-E160 VanDerWaalsContact NE-CD 3.28Å; R156-E160 IonicContact NE-OE1 3.57Å; R156-E160 PolarHBondContact NE-OE1 3.49Å; R156-E160 IonicContact NE-OE2 3.86Å; R156-E160 PolarHBondContact NE-OE2 3.06Å; R156-E160 VanDerWaalsContact NE-OE2 3.16Å; R156-E160 IonicContact NH2-OE1 3.62Å; R156-E160 PolarHBondContact NH2-OE1 3.46Å; R156-E160 VanDerWaalsContact NH2-OE1 3.07Å; R156-E160 IonicContact NH2-OE2 3.96Å; R156-E160 WeakPolarHBondContact O-CB 3.34Å; R156-E160 PolarHBondContact O-N 2.87Å
157A98.6Very high98.4Very high66 Ų6661.4 Ų61.455%0.54532%0.318SS..Hα-helixtrans-58.9-38.8177.300000112.6E153 Q154 L155 G161E153-A157 WeakPolarHBondContact O-CB 3.4Å; E153-A157 PolarHBondContact O-N 3.08Å; Q154-A157 PolarHBondContact O-N 3.3Å; L155-A157 PolarHBondContact O-N 3.24Å; A157-G161 PolarHBondContact O-N 2.83Å; A157-G161 VanDerWaalsContact O-N 3.14Å
158Y98.4Very high98.4Very high58 Ų5862.6 Ų62.623%0.22732%0.318CS..Iπ-helixtrans-67.8-47.8173.7170-97.8000112.5Y98 Q154 L155 R156 G161 L162 C163Y98-Y158 AromaticContact CD2-CE1 3.81Å; Y98-Y158 HydrophobicContact CD2-CE1 3.81Å; Y98-Y158 AromaticContact CE2-CE1 3.66Å; Y98-Y158 HydrophobicContact CE2-CE1 3.66Å; Y98-Y158 AromaticContact CE2-CZ 3.92Å; Q154-Y158 PolarHBondContact O-N 2.91Å; Q154-Y158 VanDerWaalsContact O-N 3.11Å; L155-Y158 PolarHBondContact O-N 2.98Å; R156-Y158 VanDerWaalsContact C-N 3.28Å; R156-Y158 PolarHBondContact O-N 3.06Å; Y158-G161 CarbonylContact O-C 3.53Å; Y158-G161 PolarHBondContact O-N 3.07Å; Y158-L162 HydrophobicContact CD2-CB 3.87Å; Y158-L162 HydrophobicContact CD2-CD1 4.31Å; Y158-L162 HydrophobicContact CE2-CB 4.07Å; Y158-L162 PolarHBondContact O-N 2.96Å; Y158-L162 VanDerWaalsContact O-N 3.16Å; Y158-C163 HydrophobicContact CD1-CB 4.3Å; Y158-C163 HydrophobicContact CE1-CB 3.85Å; Y158-C163 WeakPolarHBondContact O-CB 3.05Å; Y158-C163 PolarHBondContact O-N 2.85Å
159L98.6Very high98.4Very high1 Ų163.8 Ų63.81%0.00530%0.304CS..Iπ-helixtrans-69.3-37.8-174-71.2171.5000112.5G99 L125 L129 L155 R156 V164G99-L159 WeakPolarHBondContact O-CD2 3.35Å; L125-L159 HydrophobicContact CD2-CD1 3.97Å; L129-L159 HydrophobicContact CD2-CD1 3.95Å; L155-L159 WeakPolarHBondContact O-CB 3.36Å; L155-L159 WeakPolarHBondContact O-CG 3.49Å; L155-L159 PolarHBondContact O-N 2.8Å; R156-L159 PolarHBondContact O-N 2.88Å; L159-V164 WeakPolarHBondContact O-CG2 3.35Å
160E98.3Very high98.4Very high90 Ų9061.1 Ų61.142%0.42128%0.282SS..Iπ-helixtrans-81.2-25.3176.5-68.7179.7163.200113.1L108 L129 R156L108-E160 HydrophobicContact CD2-CB 4.38Å; L108-E160 HydrophobicContact CD2-CG 3.66Å; L129-E160 HydrophobicContact CD1-CG 4.22Å; R156-E160 HydrophobicContact CG-CG 4.14Å; R156-E160 IonicContact CZ-OE1 2.74Å; R156-E160 IonicContact CZ-OE2 3.12Å; R156-E160 VanDerWaalsContact NE-CD 3.28Å; R156-E160 IonicContact NE-OE1 3.57Å; R156-E160 PolarHBondContact NE-OE1 3.49Å; R156-E160 IonicContact NE-OE2 3.86Å; R156-E160 PolarHBondContact NE-OE2 3.06Å; R156-E160 VanDerWaalsContact NE-OE2 3.16Å; R156-E160 IonicContact NH2-OE1 3.62Å; R156-E160 PolarHBondContact NH2-OE1 3.46Å; R156-E160 VanDerWaalsContact NH2-OE1 3.07Å; R156-E160 IonicContact NH2-OE2 3.96Å; R156-E160 WeakPolarHBondContact O-CB 3.34Å; R156-E160 PolarHBondContact O-N 2.87Å
161G98.1Very high98.4Very high20 Ų2054.4 Ų54.421%0.20626%0.258CS..Iπ-helixtrans-104.9-96-178.300000112.8A157 Y158 C163 V164 E165A157-G161 PolarHBondContact O-N 2.83Å; A157-G161 VanDerWaalsContact O-N 3.14Å; Y158-G161 CarbonylContact O-C 3.53Å; Y158-G161 PolarHBondContact O-N 3.07Å; G161-C163 VanDerWaalsContact C-N 3.28Å; G161-C163 PolarHBondContact O-N 3.28Å; G161-V164 PolarHBondContact O-N 2.93Å; G161-E165 WeakPolarHBondContact O-CG 3.37Å; G161-E165 PolarHBondContact O-N 2.93Å
162L98.1Very high98.4Very high64 Ų6458 Ų5834%0.33527%0.273SS..Iπ-helixtrans-55.1-39-170.2-72.1175.8000113.6Y158 V164 E165 W166Y158-L162 HydrophobicContact CD2-CB 3.87Å; Y158-L162 HydrophobicContact CD2-CD1 4.31Å; Y158-L162 HydrophobicContact CE2-CB 4.07Å; Y158-L162 PolarHBondContact O-N 2.96Å; Y158-L162 VanDerWaalsContact O-N 3.16Å; L162-V164 PolarHBondContact O-N 3.4Å; L162-E165 PolarHBondContact O-N 3.03Å; L162-W166 WeakPolarHBondContact O-CB 2.95Å; L162-W166 PolarHBondContact O-N 2.83Å
163C98.6Very high98.3Very high0 Ų060 Ų600%028%0.282CS..Hα-helixtrans-60.2-48.5178.8-170.60000111.2M4 C100 Y158 G161 L167M4-C163 HydrophobicContact CE-CB 4.13Å; M4-C163 WeakPolarHBondContact CE-O 3.36Å; M4-C163 WeakPolarHBondContact CE-SG 3.34Å; C100-C163 HydrophobicContact CB-CB 3.92Å; C100-C163 WeakPolarHBondContact CB-SG 3.45Å; C100-C163 PolarHBondContact N-SG 2.9Å; C100-C163 WeakPolarHBondContact SG-CB 3.37Å; C100-C163 PolarHBondContact SG-O 3.24Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.09Å; Y158-C163 HydrophobicContact CD1-CB 4.3Å; Y158-C163 HydrophobicContact CE1-CB 3.85Å; Y158-C163 WeakPolarHBondContact O-CB 3.05Å; Y158-C163 PolarHBondContact O-N 2.85Å; G161-C163 VanDerWaalsContact C-N 3.28Å; G161-C163 PolarHBondContact O-N 3.28Å; C163-L167 VanDerWaalsContact O-CB 3.32Å; C163-L167 WeakPolarHBondContact O-CB 3.42Å; C163-L167 PolarHBondContact O-N 3.03Å
164V98.5Very high98.3Very high6 Ų655 Ų554%0.03626%0.26CS..Hα-helixtrans-64.3-45178.7175.10000110.9L102 L108 L159 G161 L162 L167 R168L102-V164 HydrophobicContact CD2-CB 4.22Å; L102-V164 HydrophobicContact CD2-CG1 3.8Å; L102-V164 HydrophobicContact CD2-CG2 3.85Å; L108-V164 HydrophobicContact CB-CG2 4.04Å; L108-V164 HydrophobicContact CD1-CG2 3.97Å; L159-V164 WeakPolarHBondContact O-CG2 3.35Å; G161-V164 PolarHBondContact O-N 2.93Å; L162-V164 PolarHBondContact O-N 3.4Å; V164-L167 PolarHBondContact O-N 3.16Å; V164-R168 WeakPolarHBondContact O-CG 3.42Å; V164-R168 PolarHBondContact O-N 2.8Å
165E98.3Very high98.2Very high117 Ų11753.4 Ų53.455%0.54725%0.251SS..Hα-helixtrans-60.4-48.5179.5-71.1174.5-178.100111.9G161 L162 R168 R169G161-E165 WeakPolarHBondContact O-CG 3.37Å; G161-E165 PolarHBondContact O-N 2.93Å; L162-E165 PolarHBondContact O-N 3.03Å; E165-R168 PolarHBondContact O-N 2.99Å; E165-R169 PolarHBondContact O-N 2.96Å
166W98.4Very high98.1Very high61 Ų6160 Ų6023%0.23128%0.281CS..Hα-helixtrans-67.2-42179-82.1107.8000112.3M4 Y58 L162 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.13Å; M4-W166 HydrophobicContact SD-CB 4.44Å; Y58-W166 AromaticContact CD2-CH2 3.56Å; Y58-W166 HydrophobicContact CD2-CH2 3.56Å; Y58-W166 HydrophobicContact CD2-CZ2 4.13Å; Y58-W166 AromaticContact CD2-CZ3 3.93Å; Y58-W166 HydrophobicContact CD2-CZ3 3.93Å; Y58-W166 HydrophobicContact CE2-CE3 4.3Å; Y58-W166 AromaticContact CE2-CH2 3.86Å; Y58-W166 HydrophobicContact CE2-CH2 3.86Å; Y58-W166 HydrophobicContact CE2-CZ2 4.33Å; Y58-W166 AromaticContact CE2-CZ3 3.82Å; Y58-W166 HydrophobicContact CE2-CZ3 3.82Å; L162-W166 WeakPolarHBondContact O-CB 2.95Å; L162-W166 PolarHBondContact O-N 2.83Å; W166-R168 VanDerWaalsContact C-N 3.34Å; W166-R168 PolarHBondContact O-N 3.04Å; W166-R169 WeakPolarHBondContact O-CB 3.28Å; W166-R169 PolarHBondContact O-N 2.74Å; W166-Y170 HydrophobicContact CB-CE2 4.04Å; W166-Y170 HydrophobicContact CD2-CE1 4.48Å; W166-Y170 HydrophobicContact CE3-CD1 4.33Å; W166-Y170 AromaticContact CE3-CE1 3.42Å; W166-Y170 HydrophobicContact CE3-CE1 3.42Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.42Å; W166-Y170 HydrophobicContact CE3-CE2 4.44Å; W166-Y170 AromaticContact CE3-CZ 3.49Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.49Å; W166-Y170 VanDerWaalsContact CE3-OH 3.31Å; W166-Y170 AromaticContact CZ3-CE1 3.87Å; W166-Y170 HydrophobicContact CZ3-CE1 3.87Å; W166-Y170 VanDerWaalsContact O-CD2 3.3Å; W166-Y170 WeakPolarHBondContact O-CD2 3.35Å; W166-Y170 PolarHBondContact O-N 2.89Å
167L98.7Very high97.9Very high0 Ų056.9 Ų56.90%027%0.274CS..Hα-helixtrans-60.5-44.2176.6174.451.5000111.3H2 M4 V27 L102 C163 V164 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.44Å; M4-L167 HydrophobicContact CB-CB 4.02Å; M4-L167 HydrophobicContact CB-CD1 4.03Å; M4-L167 HydrophobicContact CB-CD2 3.93Å; M4-L167 HydrophobicContact CB-CG 4.2Å; M4-L167 HydrophobicContact CE-CB 4.36Å; M4-L167 HydrophobicContact SD-CB 4.41Å; V27-L167 HydrophobicContact CG1-CD1 3.6Å; V27-L167 HydrophobicContact CG2-CD1 4.2Å; L102-L167 HydrophobicContact CD1-CB 4.28Å; L102-L167 HydrophobicContact CD1-CD2 3.64Å; L102-L167 HydrophobicContact CD1-CG 3.73Å; L102-L167 HydrophobicContact CG-CD2 3.58Å; L102-L167 HydrophobicContact CG-CG 4.26Å; C163-L167 VanDerWaalsContact O-CB 3.32Å; C163-L167 WeakPolarHBondContact O-CB 3.42Å; C163-L167 PolarHBondContact O-N 3.03Å; V164-L167 PolarHBondContact O-N 3.16Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 2.85Å; L167-Y170 PolarHBondContact O-N 3.33Å; L167-L171 HydrophobicContact CD1-CD1 3.9Å; L167-L171 HydrophobicContact CD1-CD2 4.39Å; L167-L171 HydrophobicContact CD1-CG 3.87Å; L167-L171 HydrophobicContact CG-CD1 4.08Å; L167-L171 HydrophobicContact CG-CG 4.5Å; L167-L171 VanDerWaalsContact O-CG 3.28Å; L167-L171 WeakPolarHBondContact O-CG 3.14Å; L167-L171 PolarHBondContact O-N 2.72Å
168R98.3Very high97.9Very high121 Ų12153.9 Ų53.946%0.45725%0.249SC..Hα-helixtrans-59.8-43.5174.6-72.8176.3-175.4158.70.3112.2L102 G106 V164 E165 W166 L171 E172L102-R168 HydrophobicContact CD1-CG 3.98Å; G106-R168 VanDerWaalsContact O-CZ 3.26Å; G106-R168 PolarHBondContact O-NE 3.37Å; G106-R168 PolarHBondContact O-NH2 2.87Å; V164-R168 WeakPolarHBondContact O-CG 3.42Å; V164-R168 PolarHBondContact O-N 2.8Å; E165-R168 PolarHBondContact O-N 2.99Å; W166-R168 VanDerWaalsContact C-N 3.34Å; W166-R168 PolarHBondContact O-N 3.04Å; R168-L171 PolarHBondContact O-N 3.1Å; R168-E172 PolarHBondContact O-N 3.32Å; R168-E172 VanDerWaalsContact O-N 3.09Å
169R98.1Very high97.7Very high112 Ų11256.4 Ų56.442%0.42326%0.263SS..Hα-helixtrans-60.5-45.5176177.2177.5171.992.6-5.7111.5E54 E165 W166 L167 E172 N173E54-R169 IonicContact OE1-CZ 3.91Å; E54-R169 IonicContact OE1-NE 3.4Å; E54-R169 PolarHBondContact OE1-NE 2.96Å; E54-R169 IonicContact OE1-NH2 3.14Å; E54-R169 PolarHBondContact OE1-NH2 2.87Å; E54-R169 VanDerWaalsContact OE1-NH2 3.11Å; E54-R169 IonicContact OE2-CZ 3.84Å; E54-R169 IonicContact OE2-NE 3.16Å; E54-R169 IonicContact OE2-NH2 3.79Å; E54-R169 PolarHBondContact OE2-NH2 2.92Å; E165-R169 PolarHBondContact O-N 2.96Å; W166-R169 WeakPolarHBondContact O-CB 3.28Å; W166-R169 PolarHBondContact O-N 2.74Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 2.85Å; R169-E172 PolarHBondContact O-N 2.85Å; R169-N173 VanDerWaalsContact O-CB 3.26Å; R169-N173 WeakPolarHBondContact O-CB 2.86Å; R169-N173 PolarHBondContact O-N 3Å; R169-N173 PolarHBondContact O-OD1 3.14Å
170Y98.5Very high97.6Very high2 Ų261.7 Ų61.71%0.00828%0.283CS..Hα-helixtrans-65.3-39178.8-60.6-27.6000112.3M4 V27 F32 W50 I51 Y58 W166 L167 E172 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.75Å; M4-Y170 HydrophobicContact SD-CE2 3.49Å; M4-Y170 WeakPolarHBondContact SD-CE2 3.36Å; V27-Y170 HydrophobicContact CG2-CD2 3.91Å; V27-Y170 HydrophobicContact CG2-CG 4.47Å; F32-Y170 HydrophobicContact CE2-CD2 4.46Å; F32-Y170 AromaticContact CE2-CE2 3.77Å; F32-Y170 HydrophobicContact CE2-CE2 3.77Å; F32-Y170 HydrophobicContact CZ-CD2 4.44Å; F32-Y170 AromaticContact CZ-CE2 3.84Å; F32-Y170 HydrophobicContact CZ-CE2 3.84Å; W50-Y170 HydrophobicContact CE3-CD1 4.31Å; W50-Y170 HydrophobicContact CE3-CG 4.48Å; W50-Y170 HydrophobicContact CH2-CD2 4.37Å; W50-Y170 HydrophobicContact CH2-CG 4.06Å; W50-Y170 AromaticContact CZ3-CD1 3.62Å; W50-Y170 HydrophobicContact CZ3-CD1 3.62Å; W50-Y170 HydrophobicContact CZ3-CD2 4.21Å; W50-Y170 HydrophobicContact CZ3-CE1 4.33Å; W50-Y170 AromaticContact CZ3-CG 3.56Å; W50-Y170 HydrophobicContact CZ3-CG 3.56Å; I51-Y170 HydrophobicContact CD1-CD1 3.84Å; I51-Y170 HydrophobicContact CD1-CE1 3.27Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.29Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.29Å; Y58-Y170 PolarHBondContact OH-OH 3.12Å; W166-Y170 HydrophobicContact CB-CE2 4.04Å; W166-Y170 HydrophobicContact CD2-CE1 4.48Å; W166-Y170 HydrophobicContact CE3-CD1 4.33Å; W166-Y170 AromaticContact CE3-CE1 3.42Å; W166-Y170 HydrophobicContact CE3-CE1 3.42Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.42Å; W166-Y170 HydrophobicContact CE3-CE2 4.44Å; W166-Y170 AromaticContact CE3-CZ 3.49Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.49Å; W166-Y170 VanDerWaalsContact CE3-OH 3.31Å; W166-Y170 AromaticContact CZ3-CE1 3.87Å; W166-Y170 HydrophobicContact CZ3-CE1 3.87Å; W166-Y170 VanDerWaalsContact O-CD2 3.3Å; W166-Y170 WeakPolarHBondContact O-CD2 3.35Å; W166-Y170 PolarHBondContact O-N 2.89Å; L167-Y170 PolarHBondContact O-N 3.33Å; Y170-E172 VanDerWaalsContact C-N 3.33Å; Y170-E172 PolarHBondContact O-N 3.18Å; Y170-N173 PolarHBondContact O-N 3.25Å; Y170-G174 PolarHBondContact O-N 2.81Å; Y170-L178 WeakPolarHBondContact O-CD1 3.34Å
171L98.1Very high97.6Very high15 Ų1559 Ų598%0.07928%0.275CS..Hα-helixtrans-63.6-36.5175.5-71.1169.6000112.7H2 V27 L167 R168 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.74Å; H2-L171 HydrophobicContact CB-CD2 3.98Å; H2-L171 HydrophobicContact CB-CG 4.44Å; H2-L171 VanDerWaalsContact CG-CD2 3.48Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.4Å; V27-L171 HydrophobicContact CG1-CD2 4.11Å; L167-L171 HydrophobicContact CD1-CD1 3.9Å; L167-L171 HydrophobicContact CD1-CD2 4.39Å; L167-L171 HydrophobicContact CD1-CG 3.87Å; L167-L171 HydrophobicContact CG-CD1 4.08Å; L167-L171 HydrophobicContact CG-CG 4.5Å; L167-L171 VanDerWaalsContact O-CG 3.28Å; L167-L171 WeakPolarHBondContact O-CG 3.14Å; L167-L171 PolarHBondContact O-N 2.72Å; R168-L171 PolarHBondContact O-N 3.1Å; L171-K175 VanDerWaalsContact O-CA 3.24Å; L171-K175 WeakPolarHBondContact O-CA 3.43Å; L171-K175 WeakPolarHBondContact O-CB 3.41Å; L171-K175 PolarHBondContact O-N 3.38Å; L171-K175 VanDerWaalsContact O-N 3.13Å; L171-L178 HydrophobicContact CD2-CB 4.1Å; L171-L178 HydrophobicContact CD2-CD1 4.41Å; L171-Q179 PolarHBondContact O-NE2 2.94Å
172E97.9Very high97.7Very high105 Ų10559.6 Ų59.649%0.49127%0.274SS..Hα-helixtrans-71.2-49.3173.8-178.255.4-141.900111.1R168 R169 Y170 G174 K175R168-E172 PolarHBondContact O-N 3.32Å; R168-E172 VanDerWaalsContact O-N 3.09Å; R169-E172 PolarHBondContact O-N 2.85Å; Y170-E172 VanDerWaalsContact C-N 3.33Å; Y170-E172 PolarHBondContact O-N 3.18Å; E172-G174 VanDerWaalsContact C-N 3.28Å; E172-G174 PolarHBondContact O-N 3.49Å; E172-K175 WeakPolarHBondContact O-CB 3.43Å; E172-K175 WeakPolarHBondContact O-CG 3.33Å; E172-K175 PolarHBondContact O-N 2.86Å; E172-K175 IonicContact OE1-NZ 2.67Å; E172-K175 PolarHBondContact OE1-NZ 3.22Å
173N98.1Very high97.7Very high48 Ų4859.6 Ų59.626%0.25728%0.278SS..Hα-helixtrans-59.2-38.4-179.8-78.31.2000112.7Q53 E54 R169 Y170Q53-N173 PolarHBondContact NE2-ND2 3.24Å; E54-N173 PolarHBondContact OE1-ND2 2.98Å; R169-N173 VanDerWaalsContact O-CB 3.26Å; R169-N173 WeakPolarHBondContact O-CB 2.86Å; R169-N173 PolarHBondContact O-N 3Å; R169-N173 PolarHBondContact O-OD1 3.14Å; Y170-N173 PolarHBondContact O-N 3.25Å
174G97.8Very high97.7Very high3 Ų360 Ų603%0.03128%0.281CS..THydrogen-bonded Turntrans-105.919.2-177.200000114.1Y170 E172 E176 T177 L178Y170-G174 PolarHBondContact O-N 2.81Å; E172-G174 VanDerWaalsContact C-N 3.28Å; E172-G174 PolarHBondContact O-N 3.49Å; G174-E176 VanDerWaalsContact C-N 3.26Å; G174-E176 PolarHBondContact O-N 3.03Å; G174-E176 VanDerWaalsContact O-N 3.15Å; G174-T177 CarbonylContact O-C 3.56Å; G174-T177 PolarHBondContact O-N 3.28Å; G174-T177 PolarHBondContact O-OG1 3.38Å; G174-L178 WeakPolarHBondContact O-CB 3.2Å; G174-L178 PolarHBondContact O-N 2.88Å
175K96.8Very high97.7Very high102 Ų10267.2 Ų67.244%0.44331%0.312SS..Hα-helixtrans-53.6-37.2-170.965.8-173.7170.1-161.60114.9L171 E172 T177 Q179L171-K175 VanDerWaalsContact O-CA 3.24Å; L171-K175 WeakPolarHBondContact O-CA 3.43Å; L171-K175 WeakPolarHBondContact O-CB 3.41Å; L171-K175 PolarHBondContact O-N 3.38Å; L171-K175 VanDerWaalsContact O-N 3.13Å; E172-K175 WeakPolarHBondContact O-CB 3.43Å; E172-K175 WeakPolarHBondContact O-CG 3.33Å; E172-K175 PolarHBondContact O-N 2.86Å; E172-K175 IonicContact OE1-NZ 2.67Å; E172-K175 PolarHBondContact OE1-NZ 3.22Å; K175-T177 PolarHBondContact O-N 2.62Å; K175-Q179 PolarHBondContact O-N 3.29Å
176E95.4Very high97.7Very high160 Ų16063.4 Ų63.475%0.74830%0.296SS*.Hα-helixtrans-62.8-26.7-179.2-63.7-174.8170.500112.8G174 R180G174-E176 VanDerWaalsContact C-N 3.26Å; G174-E176 PolarHBondContact O-N 3.03Å; G174-E176 VanDerWaalsContact O-N 3.15Å; E176-R180 PolarHBondContact O-NH1 2.92Å; E176-R180 VanDerWaalsContact O-NH1 3.15Å
177T95.3Very high97.7Very high43 Ų4364.3 Ų64.326%0.26430%0.303SS..Hα-helixtrans-102.7-63.1176.8520000110.6G174 K175 Q179 R180 R238G174-T177 CarbonylContact O-C 3.56Å; G174-T177 PolarHBondContact O-N 3.28Å; G174-T177 PolarHBondContact O-OG1 3.38Å; K175-T177 PolarHBondContact O-N 2.62Å; T177-Q179 VanDerWaalsContact C-N 3.3Å; T177-Q179 PolarHBondContact O-N 3.13Å; T177-R180 WeakPolarHBondContact O-CB 3.18Å; T177-R180 PolarHBondContact O-N 3.4Å; T177-R238 VanDerWaalsContact CB-NH1 3.28Å; T177-R238 PolarHBondContact O-NH1 3.43Å; T177-R238 PolarHBondContact O-NH2 2.93Å
178L96.6Very high97.7Very high4 Ų465.3 Ų65.32%0.02131%0.309CS..Hα-helixtrans-66.5-27.4-165.6-63.6173.4000113.8V27 T30 W50 Y170 L171 G174V27-L178 HydrophobicContact CB-CD1 4.31Å; V27-L178 HydrophobicContact CB-CD2 4.19Å; V27-L178 HydrophobicContact CG1-CD1 3.94Å; V27-L178 HydrophobicContact CG1-CD2 4.1Å; T30-L178 HydrophobicContact CG2-CD2 4.09Å; W50-L178 HydrophobicContact CD2-CD1 4.41Å; W50-L178 HydrophobicContact CH2-CD1 4.44Å; W50-L178 HydrophobicContact CZ2-CD1 3.86Å; W50-L178 HydrophobicContact CZ2-CD2 4.28Å; Y170-L178 WeakPolarHBondContact O-CD1 3.34Å; L171-L178 HydrophobicContact CD2-CB 4.1Å; L171-L178 HydrophobicContact CD2-CD1 4.41Å; G174-L178 WeakPolarHBondContact O-CB 3.2Å; G174-L178 PolarHBondContact O-N 2.88Å
179Q95.8Very high97.7Very high110 Ų11061.1 Ų61.151%0.51430%0.297SS..THydrogen-bonded Turntrans-99.712.6178-58.3-175.542.600112.5L171 K175 T177L171-Q179 PolarHBondContact O-NE2 2.94Å; K175-Q179 PolarHBondContact O-N 3.29Å; T177-Q179 VanDerWaalsContact C-N 3.3Å; T177-Q179 PolarHBondContact O-N 3.13Å
180R97Very high97.7Very high113 Ų11358 Ų5843%0.42629%0.287SS..  trans-109119.3177.4-169.2-175.377.8-142.85.9110.1E176 T177 D182 Y208E176-R180 PolarHBondContact O-NH1 2.92Å; E176-R180 VanDerWaalsContact O-NH1 3.15Å; T177-R180 WeakPolarHBondContact O-CB 3.18Å; T177-R180 PolarHBondContact O-N 3.4Å; R180-D182 IonicContact CZ-OD1 3.77Å; R180-D182 IonicContact CZ-OD2 3.68Å; R180-D182 IonicContact NE-OD1 3.91Å; R180-D182 PolarHBondContact NE-OD1 2.71Å; R180-D182 IonicContact NE-OD2 3.07Å; R180-D182 IonicContact NH2-OD1 2.73Å; R180-D182 PolarHBondContact NH2-OD1 3.23Å; R180-D182 IonicContact NH2-OD2 2.84Å; R180-D182 PolarHBondContact NH2-OD2 2.97Å; R180-Y208 WeakPolarHBondContact O-CD1 3.22Å
181A98.1Very high97.7Very high32 Ų3261.7 Ų61.726%0.26430%0.304SS..  trans-86.9125.8166.400000109.8Y208 E263A181-Y208 CarbonylContact C-O 3.53Å; A181-Y208 VanDerWaalsContact CA-O 3.28Å; A181-Y208 WeakPolarHBondContact CA-O 3.25Å; A181-E263 HydrophobicContact CB-CG 3.95Å; A181-E263 WeakPolarHBondContact CB-OE1 3.46Å
182D98.4Very high97.5Very high33 Ų3365.7 Ų65.718%0.17633%0.331CS..BIsolated β-bridgetrans-96.9114.9174.3-67.5-35.3000107.7R180 F207 Y208 H262R180-D182 IonicContact CZ-OD1 3.77Å; R180-D182 IonicContact CZ-OD2 3.68Å; R180-D182 IonicContact NE-OD1 3.91Å; R180-D182 PolarHBondContact NE-OD1 2.71Å; R180-D182 IonicContact NE-OD2 3.07Å; R180-D182 IonicContact NH2-OD1 2.73Å; R180-D182 PolarHBondContact NH2-OD1 3.23Å; R180-D182 IonicContact NH2-OD2 2.84Å; R180-D182 PolarHBondContact NH2-OD2 2.97Å; D182-F207 CarbonylContact O-C 3.53Å; D182-F207 WeakPolarHBondContact O-CA 3.45Å; D182-F207 WeakPolarHBondContact O-CB 3.42Å; D182-Y208 PolarHBondContact N-O 2.92Å; D182-Y208 PolarHBondContact O-N 3.33Å; D182-H262 PolarHBondContact O-CE1 3.13Å
183P98.6Very high97.3Very high64 Ų6465.2 Ų65.242%0.41634%0.335SS..  trans-70.1149.7-176.926.2-33.1000112.3L265P183-L265 HydrophobicContact CB-CD2 3.9Å; P183-L265 HydrophobicContact CB-CG 4.41Å
184P98.8Very high97.2Very high10 Ų1065.4 Ų65.47%0.06534%0.34CS..  trans-66.6136179.128.3-35.4000111.9T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 3.96Å; P184-T186 HydrophobicContact CG-CG2 4.13Å; P184-T186 PolarHBondContact O-N 3.43Å; P184-A204 HydrophobicContact CB-CB 3.85Å; P184-F207 HydrophobicContact CB-CB 3.86Å; P184-F207 HydrophobicContact CB-CD1 3.98Å; P184-F207 HydrophobicContact CB-CG 4.2Å; P184-I212 HydrophobicContact CB-CD1 4.02Å; P184-I212 HydrophobicContact CG-CD1 4.08Å; P184-V260 HydrophobicContact CG-CG1 3.95Å; P184-H262 HydrophobicContact CG-CB 4.06Å; P184-L265 HydrophobicContact CG-CD1 3.9Å; P184-L265 HydrophobicContact CG-CD2 4.49Å; P184-L265 HydrophobicContact CG-CG 4.27Å
185K98.8Very high96.9Very high157 Ų15772.3 Ų72.368%0.68338%0.376SS*.EExtended strand (participates in β ladder)trans-81.8112.3162.9-63.1174.6-172.9170.50107.9L205K185-L205 PolarHBondContact N-O 3.19Å; K185-L205 PolarHBondContact O-N 3.11Å
186T98.8Very high96.8Very high37 Ų3774.4 Ų74.423%0.22739%0.387CS..EExtended strand (participates in β ladder)trans-112140.7-171.454.20000112.6P184 W203 A204 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 3.96Å; P184-T186 HydrophobicContact CG-CG2 4.13Å; P184-T186 PolarHBondContact O-N 3.43Å; T186-W203 WeakPolarHBondContact CA-O 3.46Å; T186-A204 HydrophobicContact CG2-CB 4.35Å; T186-V260 HydrophobicContact CG2-CB 4.35Å; T186-V260 HydrophobicContact CG2-CG1 4.08Å; T186-V260 HydrophobicContact CG2-CG2 3.99Å; T186-L269 HydrophobicContact CG2-CD1 4.3Å; T186-L271 WeakPolarHBondContact OG1-CD2 3.39Å
187H98.6Very high96.8Very high79 Ų7971.1 Ų71.137%0.36637%0.372SS..EExtended strand (participates in β ladder)trans-155.7160.4171.263.4-76.7000110.4W203H187-W203 VanDerWaalsContact CE1-CB 3.45Å; H187-W203 WeakPolarHBondContact CE1-CB 3.2Å; H187-W203 AromaticContact CE1-CD1 3.99Å; H187-W203 AromaticContact CE1-CG 3.73Å; H187-W203 PolarHBondContact N-O 2.82Å; H187-W203 AromaticContact NE2-CD1 3.55Å; H187-W203 AromaticContact NE2-CG 3.75Å; H187-W203 PolarHBondContact O-N 2.99Å
188V98.7Very high96.9Very high22 Ų2269.1 Ų69.113%0.13336%0.36CS..EExtended strand (participates in β ladder)trans-110.8130.7175.2-179.40000108.8L200 R201 C202 W216 L271 W273V188-L200 HydrophobicContact CG1-CB 4.41Å; V188-L200 HydrophobicContact CG1-CD2 4.41Å; V188-R201 CarbonylContact C-O 3.56Å; V188-R201 WeakPolarHBondContact CA-O 3.12Å; V188-C202 HydrophobicContact CG2-CB 4.5Å; V188-W216 HydrophobicContact CG1-CH2 3.87Å; V188-W216 HydrophobicContact CG1-CZ2 4.26Å; V188-W216 HydrophobicContact CG2-CH2 4.23Å; V188-L271 HydrophobicContact CG2-CB 3.86Å; V188-W273 HydrophobicContact CG1-CB 3.94Å
189T98.4Very high97Very high32 Ų3270 Ų7020%0.19637%0.365CS..EExtended strand (participates in β ladder)trans-107.2148.417164.90000110.5H191 L200 R201T189-H191 PolarHBondContact OG1-NE2 3.4Å; T189-L200 WeakPolarHBondContact O-CA 3.22Å; T189-R201 PolarHBondContact N-O 3.24Å; T189-R201 PolarHBondContact O-N 3.46Å
190H98Very high97.1Very high48 Ų4864.8 Ų64.822%0.22234%0.341CS..EExtended strand (participates in β ladder)trans-119.3128.7179.9170.8-95.1000109.6A198 T199 L200 E253 W273H190-A198 WeakPolarHBondContact NE2-CB 3.29Å; H190-T199 WeakPolarHBondContact CA-O 3.42Å; H190-L200 HydrophobicContact CB-CD2 4.07Å; H190-E253 IonicContact NE2-OE1 3.11Å; H190-W273 HydrophobicContact CB-CD2 3.89Å; H190-W273 VanDerWaalsContact CB-CE2 3.48Å; H190-W273 HydrophobicContact CB-CG 3.99Å; H190-W273 HydrophobicContact CB-CZ2 4Å; H190-W273 VanDerWaalsContact CB-NE1 3.33Å; H190-W273 AromaticContact CG-CE2 3.74Å; H190-W273 AromaticContact CG-CZ2 3.82Å; H190-W273 AromaticContact ND1-CZ2 3.85Å
191H96.8Very high97.2Very high79 Ų7961.9 Ų61.937%0.36633%0.33SS..EExtended strand (participates in β ladder)trans-131.7104.4-178.3-56.6-71.4000109.8T189 V193 A198 T199 R201T189-H191 PolarHBondContact OG1-NE2 3.4Å; H191-V193 PolarHBondContact O-N 3.48Å; H191-A198 CarbonylContact O-C 3.58Å; H191-A198 WeakPolarHBondContact O-CA 3.39Å; H191-T199 PolarHBondContact N-O 2.97Å; H191-T199 PolarHBondContact O-N 2.88Å; H191-R201 PolarHBondContact CD2-NH1 2.86Å; H191-R201 PolarHBondContact NE2-NH1 2.79Å
192P95.7Very high97.3Very high99 Ų9960.4 Ų60.464%0.64332%0.317SS*.EExtended strand (participates in β ladder)trans-57.2130.6172.8-22.732.7000110.9
193V93.9Very high97.3Very high94 Ų9461 Ų6157%0.5732%0.317SS*.  trans-104.8-40.7176.7-178.90000110.1H191 E197 T199H191-V193 PolarHBondContact O-N 3.48Å; V193-E197 PolarHBondContact N-O 3.1Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.41Å
194S94.3Very high97.3Very high52 Ų5258 Ų5836%0.36430%0.298SS..SBendtrans-146.5-179.2174.473.50000110.4H196 E197S194-H196 PolarHBondContact O-N 2.95Å; S194-H196 PolarHBondContact OG-N 3.29Å; S194-H196 VanDerWaalsContact OG-N 3.15Å; S194-E197 PolarHBondContact N-O 2.82Å; S194-E197 VanDerWaalsContact O-O 3.1Å; S194-E197 PolarHBondContact OG-N 2.95Å
195D91.9Very high97.3Very high148 Ų14860 Ų6079%0.79131%0.308SS*.SBendtrans-62.4-20.1172.3-66.1-20.5000112.5S250D195-S250 PolarHBondContact O-OG 3.1Å; D195-S250 VanDerWaalsContact O-OG 3.1Å
196H94.6Very high97.3Very high146 Ų14653.7 Ų53.768%0.67629%0.287SS*.SBendtrans-106.6-15.1-174.4-54.3-50000113.9S194 P249 S250S194-H196 PolarHBondContact O-N 2.95Å; S194-H196 PolarHBondContact OG-N 3.29Å; S194-H196 VanDerWaalsContact OG-N 3.15Å; H196-P249 CarbonylContact O-C 3.56Å; H196-P249 WeakPolarHBondContact O-CA 3.46Å; H196-S250 PolarHBondContact O-N 3.03Å; H196-S250 PolarHBondContact O-OG 3.35Å
197E96.3Very high97.3Very high92 Ų9252 Ų5243%0.4328%0.276SS..EExtended strand (participates in β ladder)trans-143.7145.1-170.4-66.6178.9164.600112.6V193 S194 V247 V248 S250V193-E197 PolarHBondContact N-O 3.1Å; S194-E197 PolarHBondContact N-O 2.82Å; S194-E197 VanDerWaalsContact O-O 3.1Å; S194-E197 PolarHBondContact OG-N 2.95Å; E197-V247 HydrophobicContact CB-CG1 3.97Å; E197-V247 HydrophobicContact CG-CG1 4.2Å; E197-V248 VanDerWaalsContact CA-O 3.32Å; E197-V248 WeakPolarHBondContact CA-O 3.12Å; E197-S250 PolarHBondContact N-OG 3.33Å
198A97.4Very high97.3Very high1 Ų148.3 Ų48.31%0.00826%0.26CS..EExtended strand (participates in β ladder)trans-134154.7170.600000111.2H190 H191 V247 V248H190-A198 WeakPolarHBondContact NE2-CB 3.29Å; H191-A198 CarbonylContact O-C 3.58Å; H191-A198 WeakPolarHBondContact O-CA 3.39Å; A198-V247 WeakPolarHBondContact O-CA 3.33Å; A198-V248 PolarHBondContact N-O 2.62Å; A198-V248 PolarHBondContact O-N 3.45Å
199T98.4Very high97.3Very high22 Ų2248 Ų4814%0.13526%0.258CS..EExtended strand (participates in β ladder)trans-94.2123.4170-54.70000109.8H190 H191 V193 A245 V246H190-T199 WeakPolarHBondContact CA-O 3.42Å; H191-T199 PolarHBondContact N-O 2.97Å; H191-T199 PolarHBondContact O-N 2.88Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.41Å; T199-A245 HydrophobicContact CG2-CB 3.9Å; T199-V246 WeakPolarHBondContact CA-O 3.4Å
200L98.6Very high97.3Very high0 Ų047.4 Ų47.40%026%0.256CS..EExtended strand (participates in β ladder)trans-94.2124.7164-62.9-176.6000108.9V188 T189 H190 W216 A245 V246 V248 E253 Y256 W273V188-L200 HydrophobicContact CG1-CB 4.41Å; V188-L200 HydrophobicContact CG1-CD2 4.41Å; T189-L200 WeakPolarHBondContact O-CA 3.22Å; H190-L200 HydrophobicContact CB-CD2 4.07Å; L200-W216 HydrophobicContact CB-CH2 3.7Å; L200-W216 HydrophobicContact CB-CZ2 3.76Å; L200-W216 HydrophobicContact CB-CZ3 4.47Å; L200-W216 HydrophobicContact CD1-CH2 4.05Å; L200-W216 HydrophobicContact CD1-CZ3 4.19Å; L200-A245 CarbonylContact O-C 3.56Å; L200-A245 WeakPolarHBondContact O-CA 3.23Å; L200-V246 HydrophobicContact CB-CG2 4.2Å; L200-V246 PolarHBondContact N-O 2.92Å; L200-V246 PolarHBondContact O-N 3.48Å; L200-V248 HydrophobicContact CD1-CG1 4.02Å; L200-V248 HydrophobicContact CD1-CG2 4.04Å; L200-V248 HydrophobicContact CG-CG1 4.19Å; L200-V248 HydrophobicContact CG-CG2 3.86Å; L200-E253 HydrophobicContact CD1-CB 4.16Å; L200-E253 HydrophobicContact CD2-CB 4.49Å; L200-E253 HydrophobicContact CD2-CG 4.33Å; L200-Y256 HydrophobicContact CD1-CG 4.49Å; L200-W273 HydrophobicContact CD2-CB 3.9Å; L200-W273 HydrophobicContact CD2-CG 4.16Å
201R98.7Very high97.3Very high53 Ų5352 Ų5220%0.228%0.278CS..EExtended strand (participates in β ladder)trans-120.3117.2177.3-175.7177.9-66.5114.80.5110.5V188 T189 H191 W203 W243 A245V188-R201 CarbonylContact C-O 3.56Å; V188-R201 WeakPolarHBondContact CA-O 3.12Å; T189-R201 PolarHBondContact N-O 3.24Å; T189-R201 PolarHBondContact O-N 3.46Å; H191-R201 PolarHBondContact CD2-NH1 2.86Å; H191-R201 PolarHBondContact NE2-NH1 2.79Å; R201-W203 VanDerWaalsContact CD-CE2 3.41Å; R201-W203 VanDerWaalsContact CD-CZ2 3.42Å; R201-W203 VanDerWaalsContact CD-NE1 3.34Å; R201-W203 HydrophobicContact CG-CZ2 4.44Å; R201-W243 HydrophobicContact CG-CB 3.98Å; R201-W243 HydrophobicContact CG-CD2 4.15Å; R201-W243 HydrophobicContact CG-CE3 3.96Å; R201-W243 HydrophobicContact CG-CG 4.21Å; R201-A245 HydrophobicContact CB-CB 4.11Å; R201-A245 HydrophobicContact CG-CB 4.17Å
202C98.8Very high97.4Very high0 Ų048.8 Ų48.80%026%0.263CS..EExtended strand (participates in β ladder)trans-90.3122.1174.5-173.10000109.9V188 W216 W243 A244 C258V188-C202 HydrophobicContact CG2-CB 4.5Å; C202-W216 HydrophobicContact CB-CZ2 3.65Å; C202-W243 CarbonylContact O-C 3.53Å; C202-W243 WeakPolarHBondContact O-CA 3.46Å; C202-W243 VanDerWaalsContact O-CB 3.25Å; C202-W243 WeakPolarHBondContact O-CB 3.49Å; C202-A244 PolarHBondContact N-O 2.95Å; C202-A244 PolarHBondContact O-N 3.43Å; C202-C258 HydrophobicContact CB-CB 3.48Å; C202-C258 VanDerWaalsContact CB-CB 3.48Å; C202-C258 WeakPolarHBondContact CB-SG 3.46Å; C202-C258 WeakPolarHBondContact SG-CB 3.16Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 3.27Å
203W98.8Very high97.5Very high46 Ų4646.8 Ų46.817%0.17425%0.249CC..EExtended strand (participates in β ladder)trans-104142.4179.7-71.589.8000111.1T186 H187 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.46Å; H187-W203 VanDerWaalsContact CE1-CB 3.45Å; H187-W203 WeakPolarHBondContact CE1-CB 3.2Å; H187-W203 AromaticContact CE1-CD1 3.99Å; H187-W203 AromaticContact CE1-CG 3.73Å; H187-W203 PolarHBondContact N-O 2.82Å; H187-W203 AromaticContact NE2-CD1 3.55Å; H187-W203 AromaticContact NE2-CG 3.75Å; H187-W203 PolarHBondContact O-N 2.99Å; R201-W203 VanDerWaalsContact CD-CE2 3.41Å; R201-W203 VanDerWaalsContact CD-CZ2 3.42Å; R201-W203 VanDerWaalsContact CD-NE1 3.34Å; R201-W203 HydrophobicContact CG-CZ2 4.44Å; W203-L205 HydrophobicContact CE3-CD2 3.86Å; W203-L205 HydrophobicContact CZ3-CD2 4.37Å; W203-W243 HydrophobicContact CD2-CB 3.93Å; W203-W243 HydrophobicContact CD2-CG 4.48Å; W203-W243 HydrophobicContact CE3-CB 3.88Å; W203-W243 AromaticContact CE3-CD1 3.93Å; W203-W243 HydrophobicContact CE3-CG 4.25Å; W203-W243 HydrophobicContact CG-CB 4.38Å; W203-W243 AromaticContact CH2-CD1 3.54Å; W203-W243 HydrophobicContact CH2-CG 4.22Å; W203-W243 HydrophobicContact CZ2-CG 4.44Å; W203-W243 HydrophobicContact CZ3-CB 4.27Å; W203-W243 AromaticContact CZ3-CD1 3.42Å; W203-W243 VanDerWaalsContact CZ3-CD1 3.42Å; W203-W243 HydrophobicContact CZ3-CG 4.13Å
204A98.8Very high97.7Very high0 Ų042.7 Ų42.70%022%0.224CC..EExtended strand (participates in β ladder)trans-125.8123.2162.200000108.2P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.85Å; T186-A204 HydrophobicContact CG2-CB 4.35Å; A204-F207 HydrophobicContact CB-CD1 4.07Å; A204-F207 HydrophobicContact CB-CE1 3.85Å; A204-F207 WeakPolarHBondContact O-CE1 3.49Å; A204-I212 HydrophobicContact CB-CD1 3.61Å; A204-L214 HydrophobicContact CB-CD1 3.89Å; A204-L214 HydrophobicContact CB-CD2 4.1Å; A204-Q241 VanDerWaalsContact O-CA 3.3Å; A204-Q241 WeakPolarHBondContact O-CA 3.22Å; A204-K242 PolarHBondContact N-O 3.3Å; A204-K242 PolarHBondContact O-N 2.89Å; A204-K242 VanDerWaalsContact O-O 3.13Å
205L98.8Very high97.9Very high54 Ų5442 Ų4228%0.28322%0.218SC..EExtended strand (participates in β ladder)trans-130.1148.7-174.9-59.3177.1000111.2K185 W203 F207 Q241K185-L205 PolarHBondContact N-O 3.19Å; K185-L205 PolarHBondContact O-N 3.11Å; W203-L205 HydrophobicContact CE3-CD2 3.86Å; W203-L205 HydrophobicContact CZ3-CD2 4.37Å; L205-F207 VanDerWaalsContact C-N 3.32Å; L205-F207 PolarHBondContact O-N 2.83Å; L205-Q241 HydrophobicContact CD2-CB 3.57Å
206G98.4Very high98.2Very high24 Ų2435 Ų3525%0.24718%0.18CC..EExtended strand (participates in β ladder)trans70.726.5167.600000114.1F240G206-F240 PolarHBondContact N-O 3.05Å
207F98.8Very high98.4Very high0 Ų030 Ų300%016%0.157CC..EExtended strand (participates in β ladder)trans-98153.4-179.260.7-88.6000112.7D182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262D182-F207 CarbonylContact O-C 3.53Å; D182-F207 WeakPolarHBondContact O-CA 3.45Å; D182-F207 WeakPolarHBondContact O-CB 3.42Å; P184-F207 HydrophobicContact CB-CB 3.86Å; P184-F207 HydrophobicContact CB-CD1 3.98Å; P184-F207 HydrophobicContact CB-CG 4.2Å; A204-F207 HydrophobicContact CB-CD1 4.07Å; A204-F207 HydrophobicContact CB-CE1 3.85Å; A204-F207 WeakPolarHBondContact O-CE1 3.49Å; L205-F207 VanDerWaalsContact C-N 3.32Å; L205-F207 PolarHBondContact O-N 2.83Å; F207-P209 VanDerWaalsContact CD2-O 3.29Å; F207-P209 WeakPolarHBondContact CD2-O 3.36Å; F207-I212 HydrophobicContact CD1-CD1 3.85Å; F207-I212 HydrophobicContact CD2-CB 4.26Å; F207-I212 HydrophobicContact CD2-CD1 3.95Å; F207-I212 HydrophobicContact CE1-CD1 3.77Å; F207-I212 HydrophobicContact CE1-CG2 4.47Å; F207-I212 HydrophobicContact CE2-CB 3.75Å; F207-I212 HydrophobicContact CE2-CD1 3.91Å; F207-I212 HydrophobicContact CE2-CG1 4.4Å; F207-I212 HydrophobicContact CE2-CG2 3.62Å; F207-I212 HydrophobicContact CG-CD1 3.95Å; F207-I212 HydrophobicContact CZ-CB 4.14Å; F207-I212 HydrophobicContact CZ-CD1 3.83Å; F207-I212 HydrophobicContact CZ-CG2 3.59Å; F207-T232 HydrophobicContact CE2-CG2 4.08Å; F207-T232 HydrophobicContact CZ-CG2 3.9Å; F207-T239 CarbonylContact O-C 3.59Å; F207-T239 WeakPolarHBondContact O-CA 3.35Å; F207-F240 VanDerWaalsContact CD1-O 3.29Å; F207-F240 WeakPolarHBondContact CD1-O 3.36Å; F207-F240 HydrophobicContact CD2-CB 3.94Å; F207-F240 HydrophobicContact CE1-CB 4.22Å; F207-F240 WeakPolarHBondContact CE1-O 3.33Å; F207-F240 HydrophobicContact CE2-CB 3.48Å; F207-F240 VanDerWaalsContact CE2-CB 3.48Å; F207-F240 HydrophobicContact CE2-CG 4.46Å; F207-F240 HydrophobicContact CG-CB 4.46Å; F207-F240 HydrophobicContact CZ-CB 3.62Å; F207-F240 PolarHBondContact N-O 3.25Å; F207-F240 PolarHBondContact O-N 2.68Å; F207-K242 HydrophobicContact CE1-CB 4.36Å; F207-K242 HydrophobicContact CZ-CB 4.13Å; F207-H262 AromaticContact CD2-CD2 3.83Å; F207-H262 AromaticContact CD2-NE2 3.79Å
208Y98.6Very high98.5Very high3 Ų327.4 Ų27.41%0.01215%0.145CC..BIsolated β-bridgetrans-149.3136.9171.9177.7-85.1000108.2D29 T30 R180 A181 D182 R238 F240 H262D29-Y208 HydrophobicContact CB-CE2 3.77Å; T30-Y208 PolarHBondContact OG1-OH 3.3Å; R180-Y208 WeakPolarHBondContact O-CD1 3.22Å; A181-Y208 CarbonylContact C-O 3.53Å; A181-Y208 VanDerWaalsContact CA-O 3.28Å; A181-Y208 WeakPolarHBondContact CA-O 3.25Å; D182-Y208 PolarHBondContact N-O 2.92Å; D182-Y208 PolarHBondContact O-N 3.33Å; Y208-R238 HydrophobicContact CD2-CG 3.9Å; Y208-R238 HydrophobicContact CE2-CG 4.08Å; Y208-R238 VanDerWaalsContact CZ-NH2 3.27Å; Y208-F240 HydrophobicContact CD2-CD2 4.5Å; Y208-F240 HydrophobicContact CD2-CE2 4.04Å; Y208-F240 HydrophobicContact CE2-CE2 4.47Å; Y208-H262 PolarHBondContact O-CE1 3.03Å; Y208-H262 PolarHBondContact O-NE2 3.02Å
209P98.4Very high98.4Very high16 Ų1632.3 Ų32.310%0.10417%0.171CC..SBendcis-71.2-176.70.730.3-37.3000113.6D29 F207 E211 H262 E263D29-P209 WeakPolarHBondContact OD2-CB 3.25Å; F207-P209 VanDerWaalsContact CD2-O 3.29Å; F207-P209 WeakPolarHBondContact CD2-O 3.36Å; P209-E211 VanDerWaalsContact C-N 3.31Å; P209-E211 PolarHBondContact O-N 2.86Å; P209-H262 PolarHBondContact O-NE2 2.87Å; P209-E263 VanDerWaalsContact CD-CD 3.4Å; P209-E263 WeakPolarHBondContact CD-OE1 3.12Å; P209-E263 HydrophobicContact CG-CG 3.84Å; P209-E263 VanDerWaalsContact CG-OE1 3.27Å; P209-E263 WeakPolarHBondContact CG-OE1 3.29Å
210A98.4Very high98.2Very high18 Ų1833.5 Ų33.515%0.14919%0.188CC..SBendtrans-71.6-23.3-176.200000113.9D29 I212 T232 F240D29-A210 WeakPolarHBondContact OD2-CB 3.44Å; D29-A210 PolarHBondContact OD2-N 3.43Å; A210-I212 PolarHBondContact O-N 3.48Å; A210-T232 HydrophobicContact CB-CG2 4.31Å; A210-F240 HydrophobicContact CB-CD1 3.79Å; A210-F240 HydrophobicContact CB-CD2 3.77Å; A210-F240 HydrophobicContact CB-CE1 3.7Å; A210-F240 HydrophobicContact CB-CE2 3.69Å; A210-F240 HydrophobicContact CB-CG 3.83Å; A210-F240 HydrophobicContact CB-CZ 3.67Å
211E98.4Very high98.1Very high145 Ų14540.5 Ų40.568%0.67822%0.22SC*.  trans-66.6118.5-178.8-173.457.9-14400110.6P209 H262P209-E211 VanDerWaalsContact C-N 3.31Å; P209-E211 PolarHBondContact O-N 2.86Å; E211-H262 PolarHBondContact O-CD2 3.01Å; E211-H262 VanDerWaalsContact O-CD2 3.3Å
212I98.7Very high98Very high12 Ų1242.5 Ų42.56%0.06224%0.235CC..  trans-153.9144.6-178.4-161.6172.5000109.7P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 4.02Å; P184-I212 HydrophobicContact CG-CD1 4.08Å; A204-I212 HydrophobicContact CB-CD1 3.61Å; F207-I212 HydrophobicContact CD1-CD1 3.85Å; F207-I212 HydrophobicContact CD2-CB 4.26Å; F207-I212 HydrophobicContact CD2-CD1 3.95Å; F207-I212 HydrophobicContact CE1-CD1 3.77Å; F207-I212 HydrophobicContact CE1-CG2 4.47Å; F207-I212 HydrophobicContact CE2-CB 3.75Å; F207-I212 HydrophobicContact CE2-CD1 3.91Å; F207-I212 HydrophobicContact CE2-CG1 4.4Å; F207-I212 HydrophobicContact CE2-CG2 3.62Å; F207-I212 HydrophobicContact CG-CD1 3.95Å; F207-I212 HydrophobicContact CZ-CB 4.14Å; F207-I212 HydrophobicContact CZ-CD1 3.83Å; F207-I212 HydrophobicContact CZ-CG2 3.59Å; A210-I212 PolarHBondContact O-N 3.48Å; I212-L214 HydrophobicContact CB-CD1 4.42Å; I212-L214 HydrophobicContact CD1-CD1 3.6Å; I212-L214 HydrophobicContact CG1-CD1 3.67Å; I212-L214 HydrophobicContact CG2-CD1 3.96Å; I212-K242 HydrophobicContact CG2-CB 4.31Å; I212-K242 HydrophobicContact CG2-CD 3.63Å; I212-V260 HydrophobicContact CD1-CG1 4.06Å; I212-V260 HydrophobicContact CG1-CG1 4.34Å; I212-Q261 VanDerWaalsContact CG1-O 3.24Å; I212-Q261 WeakPolarHBondContact CG1-O 3.45Å; I212-H262 HydrophobicContact CD1-CB 4.43Å; I212-H262 HydrophobicContact CG1-CB 4.14Å
213T98.6Very high97.9Very high57 Ų5743.8 Ų43.835%0.3524%0.241SC..EExtended strand (participates in β ladder)trans-114.2123.7172.7-50.80000109.9T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 4.09Å; T213-V260 WeakPolarHBondContact O-CA 3.21Å; T213-Q261 PolarHBondContact N-O 3.17Å; T213-Q261 PolarHBondContact O-N 3.3Å
214L98.5Very high97.7Very high7 Ų746.6 Ų46.64%0.03726%0.263CS..EExtended strand (participates in β ladder)trans-119.9123.3172.6-87.574.2000108A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 3.89Å; A204-L214 HydrophobicContact CB-CD2 4.1Å; I212-L214 HydrophobicContact CB-CD1 4.42Å; I212-L214 HydrophobicContact CD1-CD1 3.6Å; I212-L214 HydrophobicContact CG1-CD1 3.67Å; I212-L214 HydrophobicContact CG2-CD1 3.96Å; L214-L229 HydrophobicContact CB-CD1 4.27Å; L214-K242 HydrophobicContact CD1-CD 4.18Å; L214-A244 HydrophobicContact CB-CB 4.04Å; L214-A244 HydrophobicContact CD2-CB 4.34Å; L214-H259 WeakPolarHBondContact CA-O 3.42Å; L214-V260 HydrophobicContact CD1-CG1 4.24Å; L214-V260 HydrophobicContact CG-CG2 4.36Å
215T98.4Very high97.4Very high38 Ų3855.7 Ų55.723%0.23331%0.306CS..EExtended strand (participates in β ladder)trans-136145.7179.946.30000110.4T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 4.09Å; T215-C258 CarbonylContact O-C 3.54Å; T215-C258 WeakPolarHBondContact O-CA 3.46Å; T215-H259 PolarHBondContact N-O 2.59Å; T215-H259 PolarHBondContact O-N 2.87Å; T215-H259 WeakPolarHBondContact OG1-CB 3.49Å
216W98.6Very high97.2Very high1 Ų158.6 Ų58.60%0.00432%0.322CS..EExtended strand (participates in β ladder)trans-103.3137.7169-82.8105.7000109.6V188 L200 C202 Q223 A244 V246 T257 C258V188-W216 HydrophobicContact CG1-CH2 3.87Å; V188-W216 HydrophobicContact CG1-CZ2 4.26Å; V188-W216 HydrophobicContact CG2-CH2 4.23Å; L200-W216 HydrophobicContact CB-CH2 3.7Å; L200-W216 HydrophobicContact CB-CZ2 3.76Å; L200-W216 HydrophobicContact CB-CZ3 4.47Å; L200-W216 HydrophobicContact CD1-CH2 4.05Å; L200-W216 HydrophobicContact CD1-CZ3 4.19Å; C202-W216 HydrophobicContact CB-CZ2 3.65Å; W216-Q223 HydrophobicContact CB-CB 4.3Å; W216-Q223 PolarHBondContact O-N 3.23Å; W216-A244 PolarHBondContact NE1-O 2.93Å; W216-V246 HydrophobicContact CB-CG1 3.7Å; W216-V246 HydrophobicContact CB-CG2 4.38Å; W216-V246 HydrophobicContact CD2-CG1 4.46Å; W216-V246 HydrophobicContact CD2-CG2 3.68Å; W216-V246 HydrophobicContact CE3-CG2 4.11Å; W216-V246 HydrophobicContact CG-CB 4.41Å; W216-V246 HydrophobicContact CG-CG1 3.69Å; W216-V246 HydrophobicContact CG-CG2 3.81Å; W216-V246 HydrophobicContact CZ2-CG2 4.43Å; W216-T257 WeakPolarHBondContact CA-O 3.2Å; W216-C258 HydrophobicContact CD2-CB 4.15Å; W216-C258 HydrophobicContact CE3-CB 4.1Å; W216-C258 HydrophobicContact CH2-CB 3.99Å; W216-C258 HydrophobicContact CZ2-CB 4.04Å; W216-C258 HydrophobicContact CZ3-CB 4.02Å
217Q98.4Very high97.1Very high41 Ų4158.5 Ų58.519%0.19232%0.316CS..EExtended strand (participates in β ladder)trans-120.4142.8171.5-69.3-173.9-9.800110.1E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.54Å; Q217-E221 WeakPolarHBondContact CA-O 3.49Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.39Å; Q217-D222 PolarHBondContact NE2-OD1 2.76Å; Q217-Y256 CarbonylContact O-C 3.54Å; Q217-Y256 VanDerWaalsContact O-CA 3.24Å; Q217-Y256 WeakPolarHBondContact O-CA 3.33Å; Q217-T257 PolarHBondContact N-O 2.98Å; Q217-T257 PolarHBondContact O-N 3.04Å; Q217-H259 PolarHBondContact OE1-CE1 3.44Å; Q217-H259 PolarHBondContact OE1-NE2 3.19Å
218Q97.9Very high97.1Very high38 Ų3863.9 Ų63.918%0.17834%0.341CS..EExtended strand (participates in β ladder)trans-112.8118.9167.1-174.8-178.511.100107.9G220 E221 Q223 R255 Y256Q218-G220 PolarHBondContact O-N 2.85Å; Q218-E221 PolarHBondContact N-O 3.46Å; Q218-E221 PolarHBondContact O-N 2.84Å; Q218-Q223 HydrophobicContact CB-CG 4.01Å; Q218-R255 WeakPolarHBondContact CA-O 3.5Å; Q218-R255 HydrophobicContact CG-CB 4.36Å; Q218-Y256 HydrophobicContact CB-CD1 4.05Å; Q218-Y256 HydrophobicContact CB-CE1 3.78Å; Q218-Y256 VanDerWaalsContact CD-OH 3.26Å; Q218-Y256 HydrophobicContact CG-CD1 4.41Å; Q218-Y256 HydrophobicContact CG-CE1 3.96Å; Q218-Y256 HydrophobicContact CG-CE2 4.13Å; Q218-Y256 PolarHBondContact NE2-OH 2.86Å; Q218-Y256 PolarHBondContact OE1-OH 2.89Å
219D96.3Very high97.1Very high104 Ų10468 Ų6856%0.55636%0.363SS*.THydrogen-bonded Turntrans50.927.7-175.5-57-41.5000114.5R255D219-R255 PolarHBondContact N-O 3.23Å; D219-R255 IonicContact OD1-NE 3.61Å; D219-R255 PolarHBondContact OD1-NE 2.87Å; D219-R255 IonicContact OD2-CZ 3.81Å; D219-R255 IonicContact OD2-NE 2.84Å; D219-R255 PolarHBondContact OD2-NE 3.22Å; D219-R255 IonicContact OD2-NH2 2.77Å; D219-R255 PolarHBondContact OD2-NH2 3.47Å
220G93.2Very high97.1Very high47 Ų4768.8 Ų68.849%0.48537%0.368SS..THydrogen-bonded Turntrans93.1-1.4-178.200000115.5Q218Q218-G220 PolarHBondContact O-N 2.85Å
221E96.9Very high97Very high147 Ų14776.1 Ų76.169%0.68740%0.399SS*.EExtended strand (participates in β ladder)trans-99.3128.6177.4-62.7-169.4172.400112.4Q217 Q218 Q223Q217-E221 CarbonylContact C-O 3.54Å; Q217-E221 WeakPolarHBondContact CA-O 3.49Å; Q218-E221 PolarHBondContact N-O 3.46Å; Q218-E221 PolarHBondContact O-N 2.84Å; E221-Q223 PolarHBondContact O-N 2.84Å; E221-Q223 PolarHBondContact O-NE2 3.43Å
222D97Very high97Very high94 Ų9471.4 Ų71.450%0.50338%0.38SS..EExtended strand (participates in β ladder)trans-64.1126.9-177.1-70.6-17.1000112.8Q217 T224Q217-D222 WeakPolarHBondContact CG-OD1 3.39Å; Q217-D222 PolarHBondContact NE2-OD1 2.76Å; D222-T224 VanDerWaalsContact C-N 3.33Å; D222-T224 PolarHBondContact O-N 3.35Å
223Q96.4Very high97Very high27 Ų2775.5 Ų75.513%0.12640%0.395CS..  trans-94.943.6-177.6-59.6-59-58.500112.4W216 Q218 E221 Q225 D226 T227 V246 Y256W216-Q223 HydrophobicContact CB-CB 4.3Å; W216-Q223 PolarHBondContact O-N 3.23Å; Q218-Q223 HydrophobicContact CB-CG 4.01Å; E221-Q223 PolarHBondContact O-N 2.84Å; E221-Q223 PolarHBondContact O-NE2 3.43Å; Q223-Q225 VanDerWaalsContact C-N 3.32Å; Q223-Q225 PolarHBondContact O-N 3.49Å; Q223-D226 PolarHBondContact O-N 3.41Å; Q223-T227 VanDerWaalsContact O-CB 3.3Å; Q223-T227 WeakPolarHBondContact O-CB 3.37Å; Q223-T227 PolarHBondContact O-N 3.08Å; Q223-T227 PolarHBondContact O-OG1 3.17Å; Q223-V246 HydrophobicContact CB-CG1 4.34Å; Q223-Y256 HydrophobicContact CG-CE1 4.39Å
224T93.3Very high97Very high106 Ų10677.4 Ų77.465%0.6541%0.408SS*.THydrogen-bonded Turntrans-61.8-35.9-168.8-57.80000113.3D222D222-T224 VanDerWaalsContact C-N 3.33Å; D222-T224 PolarHBondContact O-N 3.35Å
225Q94.3Very high97Very high191 Ų19179.5 Ų79.589%0.89343%0.427SS*.THydrogen-bonded Turntrans-76.3-30.4-178.9-65.9-174.30.600112.8Q223Q223-Q225 VanDerWaalsContact C-N 3.32Å; Q223-Q225 PolarHBondContact O-N 3.49Å
226D93.7Very high96.9Very high114 Ų11481.4 Ų81.461%0.6145%0.454SS*.THydrogen-bonded Turntrans-96.9-2-176.1-54.5-64.8000112.7Q223Q223-D226 PolarHBondContact O-N 3.41Å
227T97.2Very high96.7Very high23 Ų2386.5 Ų86.514%0.14148%0.481CS..  trans-89.2119.2178.3-63.40000111Q223 L229 A244 A245 V246Q223-T227 VanDerWaalsContact O-CB 3.3Å; Q223-T227 WeakPolarHBondContact O-CB 3.37Å; Q223-T227 PolarHBondContact O-N 3.08Å; Q223-T227 PolarHBondContact O-OG1 3.17Å; T227-L229 HydrophobicContact CG2-CB 4.37Å; T227-L229 PolarHBondContact O-N 3.24Å; T227-A244 HydrophobicContact CG2-CB 3.87Å; T227-A245 CarbonylContact C-O 3.52Å; T227-A245 WeakPolarHBondContact CA-O 3.33Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.43Å
228E98Very high96.6Very high112 Ų11287.3 Ų87.352%0.52348%0.482SS..EExtended strand (participates in β ladder)trans-75.6110.9162.4-172.5-174.4-172.200109W243 A244 A245E228-W243 HydrophobicContact CB-CZ3 4.16Å; E228-W243 HydrophobicContact CG-CH2 3.84Å; E228-W243 HydrophobicContact CG-CZ3 3.82Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.41Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.42Å; E228-A244 CarbonylContact O-C 3.54Å; E228-A244 WeakPolarHBondContact O-CA 3.5Å; E228-A245 HydrophobicContact CB-CB 4.46Å; E228-A245 PolarHBondContact N-O 2.87Å; E228-A245 PolarHBondContact O-N 3.42Å
229L97.9Very high96.6Very high89 Ų8986.3 Ų86.347%0.46648%0.478SS..EExtended strand (participates in β ladder)trans-117.5118.5-179.1-171.868.8000110.4L214 T227 K242 A244L214-L229 HydrophobicContact CB-CD1 4.27Å; T227-L229 HydrophobicContact CG2-CB 4.37Å; T227-L229 PolarHBondContact O-N 3.24Å; L229-K242 HydrophobicContact CD1-CD 4.49Å; L229-A244 HydrophobicContact CD1-CB 3.61Å
230V97.9Very high96.8Very high33 Ų3382.7 Ų82.720%0.246%0.458CS..PPolyproline II helixtrans-82.4154.2175.7-65.60000112.4K242 W243V230-K242 HydrophobicContact CG2-CG 4.43Å; V230-K242 WeakPolarHBondContact O-CE 3.4Å; V230-K242 PolarHBondContact O-NZ 3.44Å; V230-W243 HydrophobicContact CB-CZ2 4.4Å; V230-W243 HydrophobicContact CG1-CD2 3.97Å; V230-W243 HydrophobicContact CG1-CE3 4.34Å; V230-W243 HydrophobicContact CG1-CH2 3.62Å; V230-W243 HydrophobicContact CG1-CZ2 3.15Å; V230-W243 HydrophobicContact CG1-CZ3 4.17Å; V230-W243 HydrophobicContact CG2-CD2 3.79Å; V230-W243 HydrophobicContact CG2-CG 3.75Å; V230-W243 HydrophobicContact CG2-CZ2 4.44Å; V230-W243 WeakPolarHBondContact CG2-O 3.29Å; V230-W243 PolarHBondContact N-O 3.37Å
231E97.9Very high97Very high173 Ų17382.6 Ų82.681%0.80845%0.445SS*.PPolyproline II helixtrans-56.2145.8166.9-68.3-173.9172.100111.2R233E231-R233 PolarHBondContact O-N 2.9Å
232T98.6Very high97.1Very high46 Ų4676.6 Ų76.628%0.28242%0.417SS..PPolyproline II helixtrans-66.4128172.3-56.80000108.3F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.08Å; F207-T232 HydrophobicContact CZ-CG2 3.9Å; A210-T232 HydrophobicContact CB-CG2 4.31Å; T232-F240 HydrophobicContact CG2-CB 3.82Å; T232-F240 HydrophobicContact CG2-CD1 3.92Å; T232-F240 HydrophobicContact CG2-CG 4.14Å; T232-K242 WeakPolarHBondContact OG1-CD 3.38Å; T232-K242 PolarHBondContact OG1-NZ 2.88Å
233R98.4Very high97.2Very high98 Ų9873.3 Ų73.337%0.3740%0.397SS..EExtended strand (participates in β ladder)trans-126.1144.6-173.868.2-169.8-177-167.81111.5E231 F240 Q241E231-R233 PolarHBondContact O-N 2.9Å; R233-F240 WeakPolarHBondContact O-CA 3.37Å; R233-Q241 HydrophobicContact CG-CG 3.57Å; R233-Q241 PolarHBondContact N-O 3.28Å; R233-Q241 VanDerWaalsContact NE-NE2 3.16Å; R233-Q241 WeakPolarHBondContact O-CG 3.27Å; R233-Q241 PolarHBondContact O-N 3.43Å
234P98.3Very high97.3Very high97 Ų9772 Ų7263%0.6339%0.391SS*.EExtended strand (participates in β ladder)trans-69.8145.217929.4-35000111.2F240P234-F240 HydrophobicContact CB-CD1 4.5Å; P234-F240 HydrophobicContact CB-CE1 4.31Å
235A97.8Very high97.6Very high51 Ų5167.1 Ų67.142%0.42136%0.361SS..  trans-89.4-15.5173.200000113.1D237 T239A235-D237 WeakPolarHBondContact CB-OD1 3.43Å; A235-T239 WeakPolarHBondContact CB-O 3.39Å; A235-T239 WeakPolarHBondContact CB-OG1 3.43Å; A235-T239 PolarHBondContact N-O 3.19Å
236G96.1Very high97.7Very high78 Ų7858.2 Ų58.280%0.80432%0.32SS*.SBendtrans94.6-4.6179.900000114.7
237D96.2Very high98Very high107 Ų10756.7 Ų56.757%0.57232%0.315SS*.SBendtrans-116.229.6-179.565.1-2.9000112.2A235 T239A235-D237 WeakPolarHBondContact CB-OD1 3.43Å; D237-T239 PolarHBondContact O-N 2.95Å; D237-T239 WeakPolarHBondContact OD1-CB 3.43Å; D237-T239 PolarHBondContact OD1-N 3.36Å; D237-T239 VanDerWaalsContact OD1-N 3.08Å; D237-T239 PolarHBondContact OD1-OG1 2.84Å
238R95.8Very high98Very high59 Ų5955.7 Ų55.722%0.22331%0.308CS..SBendtrans77.1-22.4-169.3-174.1-176.7174.5-134.6-10.6115.2T30 T177 Y208T30-R238 PolarHBondContact OG1-NE 3.21Å; T177-R238 VanDerWaalsContact CB-NH1 3.28Å; T177-R238 PolarHBondContact O-NH1 3.43Å; T177-R238 PolarHBondContact O-NH2 2.93Å; Y208-R238 HydrophobicContact CD2-CG 3.9Å; Y208-R238 HydrophobicContact CE2-CG 4.08Å; Y208-R238 VanDerWaalsContact CZ-NH2 3.27Å
239T98.4Very high97.9Very high16 Ų1652.8 Ų52.810%0.09830%0.299CS..  trans-85.3169.4-177.774.60000112.9F207 A235 D237F207-T239 CarbonylContact O-C 3.59Å; F207-T239 WeakPolarHBondContact O-CA 3.35Å; A235-T239 WeakPolarHBondContact CB-O 3.39Å; A235-T239 WeakPolarHBondContact CB-OG1 3.43Å; A235-T239 PolarHBondContact N-O 3.19Å; D237-T239 PolarHBondContact O-N 2.95Å; D237-T239 WeakPolarHBondContact OD1-CB 3.43Å; D237-T239 PolarHBondContact OD1-N 3.36Å; D237-T239 VanDerWaalsContact OD1-N 3.08Å; D237-T239 PolarHBondContact OD1-OG1 2.84Å
240F98.8Very high97.8Very high28 Ų2851.2 Ų51.212%0.12330%0.296CS..EExtended strand (participates in β ladder)trans-119.2163.2179.5-64.3-87.5000111.7D29 G206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.78Å; D29-F240 HydrophobicContact CB-CZ 3.77Å; G206-F240 PolarHBondContact N-O 3.05Å; F207-F240 VanDerWaalsContact CD1-O 3.29Å; F207-F240 WeakPolarHBondContact CD1-O 3.36Å; F207-F240 HydrophobicContact CD2-CB 3.94Å; F207-F240 HydrophobicContact CE1-CB 4.22Å; F207-F240 WeakPolarHBondContact CE1-O 3.33Å; F207-F240 HydrophobicContact CE2-CB 3.48Å; F207-F240 VanDerWaalsContact CE2-CB 3.48Å; F207-F240 HydrophobicContact CE2-CG 4.46Å; F207-F240 HydrophobicContact CG-CB 4.46Å; F207-F240 HydrophobicContact CZ-CB 3.62Å; F207-F240 PolarHBondContact N-O 3.25Å; F207-F240 PolarHBondContact O-N 2.68Å; Y208-F240 HydrophobicContact CD2-CD2 4.5Å; Y208-F240 HydrophobicContact CD2-CE2 4.04Å; Y208-F240 HydrophobicContact CE2-CE2 4.47Å; A210-F240 HydrophobicContact CB-CD1 3.79Å; A210-F240 HydrophobicContact CB-CD2 3.77Å; A210-F240 HydrophobicContact CB-CE1 3.7Å; A210-F240 HydrophobicContact CB-CE2 3.69Å; A210-F240 HydrophobicContact CB-CG 3.83Å; A210-F240 HydrophobicContact CB-CZ 3.67Å; T232-F240 HydrophobicContact CG2-CB 3.82Å; T232-F240 HydrophobicContact CG2-CD1 3.92Å; T232-F240 HydrophobicContact CG2-CG 4.14Å; R233-F240 WeakPolarHBondContact O-CA 3.37Å; P234-F240 HydrophobicContact CB-CD1 4.5Å; P234-F240 HydrophobicContact CB-CE1 4.31Å
241Q98.7Very high97.7Very high45 Ų4552.8 Ų52.821%0.2132%0.319CS..EExtended strand (participates in β ladder)trans-140.6146.5173.945.7168.2-19.200110.1A204 L205 R233A204-Q241 VanDerWaalsContact O-CA 3.3Å; A204-Q241 WeakPolarHBondContact O-CA 3.22Å; L205-Q241 HydrophobicContact CD2-CB 3.57Å; R233-Q241 HydrophobicContact CG-CG 3.57Å; R233-Q241 PolarHBondContact N-O 3.28Å; R233-Q241 VanDerWaalsContact NE-NE2 3.16Å; R233-Q241 WeakPolarHBondContact O-CG 3.27Å; R233-Q241 PolarHBondContact O-N 3.43Å
242K98.8Very high97.7Very high22 Ų2247.6 Ų47.610%0.09630%0.295CS..EExtended strand (participates in β ladder)trans-150.9154.2176.9-163.6-177.7-172.371.60108.9A204 F207 I212 L214 L229 V230 T232A204-K242 PolarHBondContact N-O 3.3Å; A204-K242 PolarHBondContact O-N 2.89Å; A204-K242 VanDerWaalsContact O-O 3.13Å; F207-K242 HydrophobicContact CE1-CB 4.36Å; F207-K242 HydrophobicContact CZ-CB 4.13Å; I212-K242 HydrophobicContact CG2-CB 4.31Å; I212-K242 HydrophobicContact CG2-CD 3.63Å; L214-K242 HydrophobicContact CD1-CD 4.18Å; L229-K242 HydrophobicContact CD1-CD 4.49Å; V230-K242 HydrophobicContact CG2-CG 4.43Å; V230-K242 WeakPolarHBondContact O-CE 3.4Å; V230-K242 PolarHBondContact O-NZ 3.44Å; T232-K242 WeakPolarHBondContact OG1-CD 3.38Å; T232-K242 PolarHBondContact OG1-NZ 2.88Å
243W98.7Very high97.6Very high25 Ų2546.5 Ų46.510%0.09529%0.286CS..EExtended strand (participates in β ladder)trans-142.1156.2168.259.8-99.6000111.5R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 3.98Å; R201-W243 HydrophobicContact CG-CD2 4.15Å; R201-W243 HydrophobicContact CG-CE3 3.96Å; R201-W243 HydrophobicContact CG-CG 4.21Å; C202-W243 CarbonylContact O-C 3.53Å; C202-W243 WeakPolarHBondContact O-CA 3.46Å; C202-W243 VanDerWaalsContact O-CB 3.25Å; C202-W243 WeakPolarHBondContact O-CB 3.49Å; W203-W243 HydrophobicContact CD2-CB 3.93Å; W203-W243 HydrophobicContact CD2-CG 4.48Å; W203-W243 HydrophobicContact CE3-CB 3.88Å; W203-W243 AromaticContact CE3-CD1 3.93Å; W203-W243 HydrophobicContact CE3-CG 4.25Å; W203-W243 HydrophobicContact CG-CB 4.38Å; W203-W243 AromaticContact CH2-CD1 3.54Å; W203-W243 HydrophobicContact CH2-CG 4.22Å; W203-W243 HydrophobicContact CZ2-CG 4.44Å; W203-W243 HydrophobicContact CZ3-CB 4.27Å; W203-W243 AromaticContact CZ3-CD1 3.42Å; W203-W243 VanDerWaalsContact CZ3-CD1 3.42Å; W203-W243 HydrophobicContact CZ3-CG 4.13Å; E228-W243 HydrophobicContact CB-CZ3 4.16Å; E228-W243 HydrophobicContact CG-CH2 3.84Å; E228-W243 HydrophobicContact CG-CZ3 3.82Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.41Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.42Å; V230-W243 HydrophobicContact CB-CZ2 4.4Å; V230-W243 HydrophobicContact CG1-CD2 3.97Å; V230-W243 HydrophobicContact CG1-CE3 4.34Å; V230-W243 HydrophobicContact CG1-CH2 3.62Å; V230-W243 HydrophobicContact CG1-CZ2 3.15Å; V230-W243 HydrophobicContact CG1-CZ3 4.17Å; V230-W243 HydrophobicContact CG2-CD2 3.79Å; V230-W243 HydrophobicContact CG2-CG 3.75Å; V230-W243 HydrophobicContact CG2-CZ2 4.44Å; V230-W243 WeakPolarHBondContact CG2-O 3.29Å; V230-W243 PolarHBondContact N-O 3.37Å; W243-A245 HydrophobicContact CE3-CB 3.93Å; W243-A245 HydrophobicContact CZ3-CB 3.65Å
244A98.6Very high97.5Very high0 Ų047 Ų470%029%0.293CS..EExtended strand (participates in β ladder)trans-128.7133.3173.500000108.4C202 L214 W216 T227 E228 L229C202-A244 PolarHBondContact N-O 2.95Å; C202-A244 PolarHBondContact O-N 3.43Å; L214-A244 HydrophobicContact CB-CB 4.04Å; L214-A244 HydrophobicContact CD2-CB 4.34Å; W216-A244 PolarHBondContact NE1-O 2.93Å; T227-A244 HydrophobicContact CG2-CB 3.87Å; E228-A244 CarbonylContact O-C 3.54Å; E228-A244 WeakPolarHBondContact O-CA 3.5Å; L229-A244 HydrophobicContact CD1-CB 3.61Å
245A98.6Very high97.5Very high3 Ų347.2 Ų47.23%0.02528%0.281CS..EExtended strand (participates in β ladder)trans-127.9146.4-179.800000112.2T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.9Å; L200-A245 CarbonylContact O-C 3.56Å; L200-A245 WeakPolarHBondContact O-CA 3.23Å; R201-A245 HydrophobicContact CB-CB 4.11Å; R201-A245 HydrophobicContact CG-CB 4.17Å; T227-A245 CarbonylContact C-O 3.52Å; T227-A245 WeakPolarHBondContact CA-O 3.33Å; E228-A245 HydrophobicContact CB-CB 4.46Å; E228-A245 PolarHBondContact N-O 2.87Å; E228-A245 PolarHBondContact O-N 3.42Å; W243-A245 HydrophobicContact CE3-CB 3.93Å; W243-A245 HydrophobicContact CZ3-CB 3.65Å
246V98.3Very high97.5Very high4 Ų445.4 Ų45.42%0.02426%0.263CS..EExtended strand (participates in β ladder)trans-131145.7172.7-72.60000109T199 L200 W216 Q223 T227 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.4Å; L200-V246 HydrophobicContact CB-CG2 4.2Å; L200-V246 PolarHBondContact N-O 2.92Å; L200-V246 PolarHBondContact O-N 3.48Å; W216-V246 HydrophobicContact CB-CG1 3.7Å; W216-V246 HydrophobicContact CB-CG2 4.38Å; W216-V246 HydrophobicContact CD2-CG1 4.46Å; W216-V246 HydrophobicContact CD2-CG2 3.68Å; W216-V246 HydrophobicContact CE3-CG2 4.11Å; W216-V246 HydrophobicContact CG-CB 4.41Å; W216-V246 HydrophobicContact CG-CG1 3.69Å; W216-V246 HydrophobicContact CG-CG2 3.81Å; W216-V246 HydrophobicContact CZ2-CG2 4.43Å; Q223-V246 HydrophobicContact CB-CG1 4.34Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.43Å; V246-V248 HydrophobicContact CB-CG1 4.38Å; V246-V248 HydrophobicContact CG2-CG1 3.77Å; V246-Y256 HydrophobicContact CG2-CD1 4.07Å; V246-Y256 HydrophobicContact CG2-CE1 4.48Å
247V98.1Very high97.7Very high82 Ų8242.1 Ų42.150%0.49723%0.227SC..EExtended strand (participates in β ladder)trans-88.8128.5168.1-178.30000107.4E197 A198E197-V247 HydrophobicContact CB-CG1 3.97Å; E197-V247 HydrophobicContact CG-CG1 4.2Å; A198-V247 WeakPolarHBondContact O-CA 3.33Å
248V97.5Very high97.8Very high1 Ų137 Ų371%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-127.2147.4-175.1-52.50000110.2E197 A198 L200 V246 E253 Y256E197-V248 VanDerWaalsContact CA-O 3.32Å; E197-V248 WeakPolarHBondContact CA-O 3.12Å; A198-V248 PolarHBondContact N-O 2.62Å; A198-V248 PolarHBondContact O-N 3.45Å; L200-V248 HydrophobicContact CD1-CG1 4.02Å; L200-V248 HydrophobicContact CD1-CG2 4.04Å; L200-V248 HydrophobicContact CG-CG1 4.19Å; L200-V248 HydrophobicContact CG-CG2 3.86Å; V246-V248 HydrophobicContact CB-CG1 4.38Å; V246-V248 HydrophobicContact CG2-CG1 3.77Å; V248-E253 HydrophobicContact CG2-CG 4.05Å; V248-Y256 HydrophobicContact CB-CD2 3.99Å; V248-Y256 HydrophobicContact CB-CE2 3.66Å; V248-Y256 HydrophobicContact CG1-CD1 3.78Å; V248-Y256 HydrophobicContact CG1-CD2 3.56Å; V248-Y256 HydrophobicContact CG1-CE1 3.7Å; V248-Y256 HydrophobicContact CG1-CE2 3.49Å; V248-Y256 VanDerWaalsContact CG1-CE2 3.49Å; V248-Y256 HydrophobicContact CG1-CG 3.71Å
249P97.4Very high97.9Very high51 Ų5136 Ų3633%0.33120%0.198SC..EExtended strand (participates in β ladder)trans-63.2140171.2-20.632.7000111.4H196 G251 E252H196-P249 CarbonylContact O-C 3.56Å; H196-P249 WeakPolarHBondContact O-CA 3.46Å; P249-G251 PolarHBondContact O-N 3.41Å; P249-E252 HydrophobicContact CB-CB 4.28Å; P249-E252 HydrophobicContact CB-CG 4.04Å; P249-E252 HydrophobicContact CG-CG 4.42Å; P249-E252 WeakPolarHBondContact O-CB 3.47Å; P249-E252 PolarHBondContact O-N 2.83Å
250S95.3Very high97.9Very high57 Ų5735.2 Ų35.240%0.39919%0.193SC..THydrogen-bonded Turntrans-55.7125.4174.4-63.20000110.6D195 H196 E197D195-S250 PolarHBondContact O-OG 3.1Å; D195-S250 VanDerWaalsContact O-OG 3.1Å; H196-S250 PolarHBondContact O-N 3.03Å; H196-S250 PolarHBondContact O-OG 3.35Å; E197-S250 PolarHBondContact N-OG 3.33Å
251G95.2Very high97.9Very high66 Ų6638.8 Ų38.868%0.6821%0.21SC*.THydrogen-bonded Turntrans91.5-5.5-178.100000115P249 E253P249-G251 PolarHBondContact O-N 3.41Å; G251-E253 WeakPolarHBondContact CA-OE2 3.5Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 2.89Å; G251-E253 PolarHBondContact N-OE2 2.99Å
252E97.3Very high97.9Very high64 Ų6437.3 Ų37.330%0.29920%0.203SC..  trans-100.35176-65.4-163.7-164.900113.6P249 Q254 R255 Y256P249-E252 HydrophobicContact CB-CB 4.28Å; P249-E252 HydrophobicContact CB-CG 4.04Å; P249-E252 HydrophobicContact CG-CG 4.42Å; P249-E252 WeakPolarHBondContact O-CB 3.47Å; P249-E252 PolarHBondContact O-N 2.83Å; E252-Q254 PolarHBondContact O-N 3.08Å; E252-R255 WeakPolarHBondContact O-CB 3.42Å; E252-R255 PolarHBondContact O-N 3.44Å; E252-R255 IonicContact OE1-NH1 3.82Å; E252-R255 IonicContact OE2-CZ 3.15Å; E252-R255 IonicContact OE2-NH1 2.86Å; E252-R255 PolarHBondContact OE2-NH1 3.49Å; E252-Y256 HydrophobicContact CB-CE2 4.39Å; E252-Y256 WeakPolarHBondContact O-CD2 3.43Å
253E97.1Very high97.9Very high22 Ų2242.7 Ų42.710%0.10323%0.229CC..G310 helixtrans-57.5-33.5-169.6-57.282179.600112.8H190 L200 V248 G251 R255 Y256 W273H190-E253 IonicContact NE2-OE1 3.11Å; L200-E253 HydrophobicContact CD1-CB 4.16Å; L200-E253 HydrophobicContact CD2-CB 4.49Å; L200-E253 HydrophobicContact CD2-CG 4.33Å; V248-E253 HydrophobicContact CG2-CG 4.05Å; G251-E253 WeakPolarHBondContact CA-OE2 3.5Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 2.89Å; G251-E253 PolarHBondContact N-OE2 2.99Å; E253-R255 VanDerWaalsContact C-N 3.27Å; E253-R255 PolarHBondContact O-N 3.11Å; E253-Y256 PolarHBondContact O-N 2.87Å; E253-W273 HydrophobicContact CB-CE3 3.65Å; E253-W273 HydrophobicContact CB-CZ3 4.16Å; E253-W273 HydrophobicContact CG-CE3 3.75Å; E253-W273 HydrophobicContact CG-CZ3 3.91Å
254Q97.2Very high97.8Very high110 Ų11042.5 Ų42.551%0.51424%0.235SC..G310 helixtrans-73.1-16.1-178.8-64.1-58.9-47.600114.1E252 R272 W273E252-Q254 PolarHBondContact O-N 3.08Å; Q254-R272 PolarHBondContact O-NE 3.37Å; Q254-R272 VanDerWaalsContact O-NE 3.15Å; Q254-W273 PolarHBondContact NE2-O 3.32Å
255R97.8Very high97.8Very high100 Ų10043.8 Ų43.838%0.37724%0.241SC..G310 helixtrans-72.8-19.7172.1-63.5175.767.1-171.92.8111.9Q218 D219 E252 E253Q218-R255 WeakPolarHBondContact CA-O 3.5Å; Q218-R255 HydrophobicContact CG-CB 4.36Å; D219-R255 PolarHBondContact N-O 3.23Å; D219-R255 IonicContact OD1-NE 3.61Å; D219-R255 PolarHBondContact OD1-NE 2.87Å; D219-R255 IonicContact OD2-CZ 3.81Å; D219-R255 IonicContact OD2-NE 2.84Å; D219-R255 PolarHBondContact OD2-NE 3.22Å; D219-R255 IonicContact OD2-NH2 2.77Å; D219-R255 PolarHBondContact OD2-NH2 3.47Å; E252-R255 WeakPolarHBondContact O-CB 3.42Å; E252-R255 PolarHBondContact O-N 3.44Å; E252-R255 IonicContact OE1-NH1 3.82Å; E252-R255 IonicContact OE2-CZ 3.15Å; E252-R255 IonicContact OE2-NH1 2.86Å; E252-R255 PolarHBondContact OE2-NH1 3.49Å; E253-R255 VanDerWaalsContact C-N 3.27Å; E253-R255 PolarHBondContact O-N 3.11Å
256Y98.4Very high97.8Very high14 Ų1449.9 Ų49.96%0.05528%0.281CS..EExtended strand (participates in β ladder)trans-96.1130.3-176.5-67.9-96.2000111.7L200 Q217 Q218 Q223 V246 V248 E252 E253L200-Y256 HydrophobicContact CD1-CG 4.49Å; Q217-Y256 CarbonylContact O-C 3.54Å; Q217-Y256 VanDerWaalsContact O-CA 3.24Å; Q217-Y256 WeakPolarHBondContact O-CA 3.33Å; Q218-Y256 HydrophobicContact CB-CD1 4.05Å; Q218-Y256 HydrophobicContact CB-CE1 3.78Å; Q218-Y256 VanDerWaalsContact CD-OH 3.26Å; Q218-Y256 HydrophobicContact CG-CD1 4.41Å; Q218-Y256 HydrophobicContact CG-CE1 3.96Å; Q218-Y256 HydrophobicContact CG-CE2 4.13Å; Q218-Y256 PolarHBondContact NE2-OH 2.86Å; Q218-Y256 PolarHBondContact OE1-OH 2.89Å; Q223-Y256 HydrophobicContact CG-CE1 4.39Å; V246-Y256 HydrophobicContact CG2-CD1 4.07Å; V246-Y256 HydrophobicContact CG2-CE1 4.48Å; V248-Y256 HydrophobicContact CB-CD2 3.99Å; V248-Y256 HydrophobicContact CB-CE2 3.66Å; V248-Y256 HydrophobicContact CG1-CD1 3.78Å; V248-Y256 HydrophobicContact CG1-CD2 3.56Å; V248-Y256 HydrophobicContact CG1-CE1 3.7Å; V248-Y256 HydrophobicContact CG1-CE2 3.49Å; V248-Y256 VanDerWaalsContact CG1-CE2 3.49Å; V248-Y256 HydrophobicContact CG1-CG 3.71Å; E252-Y256 HydrophobicContact CB-CE2 4.39Å; E252-Y256 WeakPolarHBondContact O-CD2 3.43Å; E253-Y256 PolarHBondContact O-N 2.87Å
257T98.5Very high97.7Very high8 Ų857.4 Ų57.45%0.04931%0.313CS..EExtended strand (participates in β ladder)trans-124.3132.7174.345.20000111.3W216 Q217 H259 T270 L271 R272W216-T257 WeakPolarHBondContact CA-O 3.2Å; Q217-T257 PolarHBondContact N-O 2.98Å; Q217-T257 PolarHBondContact O-N 3.04Å; T257-H259 WeakPolarHBondContact CB-NE2 3.38Å; T257-H259 PolarHBondContact O-CD2 3.41Å; T257-H259 PolarHBondContact OG1-NE2 3.35Å; T257-T270 HydrophobicContact CG2-CG2 3.81Å; T257-L271 CarbonylContact C-O 3.59Å; T257-L271 VanDerWaalsContact CA-O 3.29Å; T257-L271 WeakPolarHBondContact CA-O 3.47Å; T257-R272 HydrophobicContact CG2-CG 3.59Å; T257-R272 VanDerWaalsContact CG2-NE 3.29Å
258C98.6Very high97.7Very high0 Ų057.4 Ų57.40%032%0.315CS..EExtended strand (participates in β ladder)trans-89.9131.4168.4175.60000110C202 T215 W216 T270 L271C202-C258 HydrophobicContact CB-CB 3.48Å; C202-C258 VanDerWaalsContact CB-CB 3.48Å; C202-C258 WeakPolarHBondContact CB-SG 3.46Å; C202-C258 WeakPolarHBondContact SG-CB 3.16Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 3.27Å; T215-C258 CarbonylContact O-C 3.54Å; T215-C258 WeakPolarHBondContact O-CA 3.46Å; W216-C258 HydrophobicContact CD2-CB 4.15Å; W216-C258 HydrophobicContact CE3-CB 4.1Å; W216-C258 HydrophobicContact CH2-CB 3.99Å; W216-C258 HydrophobicContact CZ2-CB 4.04Å; W216-C258 HydrophobicContact CZ3-CB 4.02Å; C258-T270 CarbonylContact O-C 3.56Å; C258-T270 WeakPolarHBondContact O-CA 3.43Å; C258-L271 HydrophobicContact CB-CB 4.36Å; C258-L271 PolarHBondContact N-O 3.25Å; C258-L271 PolarHBondContact O-N 3.07Å
259H98.6Very high97.8Very high37 Ų3760.1 Ų60.117%0.17133%0.329CS..EExtended strand (participates in β ladder)trans-112.3128.7177.1-64.3-110.5000110.1L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.42Å; T215-H259 PolarHBondContact N-O 2.59Å; T215-H259 PolarHBondContact O-N 2.87Å; T215-H259 WeakPolarHBondContact OG1-CB 3.49Å; Q217-H259 PolarHBondContact OE1-CE1 3.44Å; Q217-H259 PolarHBondContact OE1-NE2 3.19Å; T257-H259 WeakPolarHBondContact CB-NE2 3.38Å; T257-H259 PolarHBondContact O-CD2 3.41Å; T257-H259 PolarHBondContact OG1-NE2 3.35Å; H259-L269 WeakPolarHBondContact CA-O 3.34Å; H259-T270 PolarHBondContact CE1-OG1 3.24Å; H259-T270 PolarHBondContact ND1-OG1 3.33Å
260V98.8Very high97.8Very high0 Ų061.7 Ų61.70%034%0.338CS..EExtended strand (participates in β ladder)trans-122.7124.2-177.1-172.40000110.1P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 3.95Å; T186-V260 HydrophobicContact CG2-CB 4.35Å; T186-V260 HydrophobicContact CG2-CG1 4.08Å; T186-V260 HydrophobicContact CG2-CG2 3.99Å; I212-V260 HydrophobicContact CD1-CG1 4.06Å; I212-V260 HydrophobicContact CG1-CG1 4.34Å; T213-V260 WeakPolarHBondContact O-CA 3.21Å; L214-V260 HydrophobicContact CD1-CG1 4.24Å; L214-V260 HydrophobicContact CG-CG2 4.36Å; V260-L265 HydrophobicContact CG1-CD1 4.28Å; V260-P268 WeakPolarHBondContact O-CA 3.1Å; V260-L269 HydrophobicContact CB-CB 4.36Å; V260-L269 PolarHBondContact N-O 2.9Å; V260-L269 PolarHBondContact O-N 3.28Å; V260-L271 HydrophobicContact CG2-CD1 3.74Å
261Q98.7Very high98Very high103 Ų10360.3 Ų60.348%0.48133%0.326SS..EExtended strand (participates in β ladder)trans-120131.9173.7-54.3-176.19.400109.8I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.24Å; I212-Q261 WeakPolarHBondContact CG1-O 3.45Å; T213-Q261 PolarHBondContact N-O 3.17Å; T213-Q261 PolarHBondContact O-N 3.3Å; Q261-P268 HydrophobicContact CG-CB 4.1Å; Q261-P268 HydrophobicContact CG-CG 4.15Å
262H98.7Very high98Very high15 Ų1563.9 Ų63.97%0.06932%0.319CS..  trans-157.4146.1179.7-177.5-97.5000108.8D182 P184 F207 Y208 P209 E211 I212 G264 L265D182-H262 PolarHBondContact O-CE1 3.13Å; P184-H262 HydrophobicContact CG-CB 4.06Å; F207-H262 AromaticContact CD2-CD2 3.83Å; F207-H262 AromaticContact CD2-NE2 3.79Å; Y208-H262 PolarHBondContact O-CE1 3.03Å; Y208-H262 PolarHBondContact O-NE2 3.02Å; P209-H262 PolarHBondContact O-NE2 2.87Å; E211-H262 PolarHBondContact O-CD2 3.01Å; E211-H262 VanDerWaalsContact O-CD2 3.3Å; I212-H262 HydrophobicContact CD1-CB 4.43Å; I212-H262 HydrophobicContact CG1-CB 4.14Å; H262-G264 PolarHBondContact ND1-N 2.73Å; H262-G264 PolarHBondContact O-N 2.7Å; H262-L265 HydrophobicContact CB-CD1 3.97Å; H262-L265 HydrophobicContact CB-CG 4.16Å; H262-L265 WeakPolarHBondContact O-CB 3.39Å; H262-L265 PolarHBondContact O-N 3.06Å
263E97.8Very high97.9Very high135 Ų13567.6 Ų67.663%0.63133%0.33SS*.THydrogen-bonded Turntrans-63.3-28.7-176.660.9159.7-149.700114A181 P209 L265A181-E263 HydrophobicContact CB-CG 3.95Å; A181-E263 WeakPolarHBondContact CB-OE1 3.46Å; P209-E263 VanDerWaalsContact CD-CD 3.4Å; P209-E263 WeakPolarHBondContact CD-OE1 3.12Å; P209-E263 HydrophobicContact CG-CG 3.84Å; P209-E263 VanDerWaalsContact CG-OE1 3.27Å; P209-E263 WeakPolarHBondContact CG-OE1 3.29Å; E263-L265 PolarHBondContact O-N 3.38Å
264G97.6Very high97.9Very high21 Ų2169.9 Ų69.922%0.21634%0.341CS..THydrogen-bonded Turntrans-71.4-8.8174.300000114.3H262H262-G264 PolarHBondContact ND1-N 2.73Å; H262-G264 PolarHBondContact O-N 2.7Å
265L98.4Very high97.9Very high26 Ų2667.8 Ų67.814%0.13633%0.332CS..  trans-94.6127.6176.9-66.3170.7000110.3P183 P184 V260 H262 E263 K267 L269P183-L265 HydrophobicContact CB-CD2 3.9Å; P183-L265 HydrophobicContact CB-CG 4.41Å; P184-L265 HydrophobicContact CG-CD1 3.9Å; P184-L265 HydrophobicContact CG-CD2 4.49Å; P184-L265 HydrophobicContact CG-CG 4.27Å; V260-L265 HydrophobicContact CG1-CD1 4.28Å; H262-L265 HydrophobicContact CB-CD1 3.97Å; H262-L265 HydrophobicContact CB-CG 4.16Å; H262-L265 WeakPolarHBondContact O-CB 3.39Å; H262-L265 PolarHBondContact O-N 3.06Å; E263-L265 PolarHBondContact O-N 3.38Å; L265-K267 WeakPolarHBondContact CB-O 3.2Å; L265-K267 PolarHBondContact O-N 2.82Å; L265-L269 HydrophobicContact CD1-CD1 4.06Å; L265-L269 HydrophobicContact CD1-CG 3.94Å; L265-L269 HydrophobicContact CD2-CD1 3.8Å; L265-L269 HydrophobicContact CD2-CG 4.04Å
266P97.6Very high97.9Very high131 Ų13166 Ų6685%0.85133%0.33SS*.SBendtrans-67.5-24.3177.327.7-34.7000112.7
267K97.6Very high97.9Very high162 Ų16269.1 Ų69.170%0.70435%0.346SS*.SBendtrans-147.1150.3173.7-63.1-176.1-176.9178.60108.9L265L265-K267 WeakPolarHBondContact CB-O 3.2Å; L265-K267 PolarHBondContact O-N 2.82Å
268P98.1Very high97.9Very high83 Ų8372.9 Ų72.954%0.53937%0.365SS..  trans-53145171.5-26.735.8000112.2V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.1Å; Q261-P268 HydrophobicContact CG-CB 4.1Å; Q261-P268 HydrophobicContact CG-CG 4.15Å
269L98.4Very high97.8Very high58 Ų5877.7 Ų77.730%0.30439%0.389SS..EExtended strand (participates in β ladder)trans-95.8144.3174.4-60.6178.2000110.2T186 H259 V260 L265 L271T186-L269 HydrophobicContact CG2-CD1 4.3Å; H259-L269 WeakPolarHBondContact CA-O 3.34Å; V260-L269 HydrophobicContact CB-CB 4.36Å; V260-L269 PolarHBondContact N-O 2.9Å; V260-L269 PolarHBondContact O-N 3.28Å; L265-L269 HydrophobicContact CD1-CD1 4.06Å; L265-L269 HydrophobicContact CD1-CG 3.94Å; L265-L269 HydrophobicContact CD2-CD1 3.8Å; L265-L269 HydrophobicContact CD2-CG 4.04Å; L269-L271 HydrophobicContact CB-CD1 4.09Å
270T98.5Very high97.8Very high83 Ų8380.6 Ų80.651%0.50940%0.404SS..EExtended strand (participates in β ladder)trans-122.1120.3170.3-59.80000108.1T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.81Å; C258-T270 CarbonylContact O-C 3.56Å; C258-T270 WeakPolarHBondContact O-CA 3.43Å; H259-T270 PolarHBondContact CE1-OG1 3.24Å; H259-T270 PolarHBondContact ND1-OG1 3.33Å
271L98.1Very high97.7Very high29 Ų2986.8 Ų86.815%0.15244%0.436CS..EExtended strand (participates in β ladder)trans-117.1147.5-177.5-58.1103.8000110.7T186 V188 T257 C258 V260 L269T186-L271 WeakPolarHBondContact OG1-CD2 3.39Å; V188-L271 HydrophobicContact CG2-CB 3.86Å; T257-L271 CarbonylContact C-O 3.59Å; T257-L271 VanDerWaalsContact CA-O 3.29Å; T257-L271 WeakPolarHBondContact CA-O 3.47Å; C258-L271 HydrophobicContact CB-CB 4.36Å; C258-L271 PolarHBondContact N-O 3.25Å; C258-L271 PolarHBondContact O-N 3.07Å; V260-L271 HydrophobicContact CG2-CD1 3.74Å; L269-L271 HydrophobicContact CB-CD1 4.09Å
272R96.8Very high97.6Very high140 Ų14085.5 Ų85.553%0.52843%0.432SS..  trans-124.2165.9165.5-67.1-171172.292.63.2108.5Q254 T257Q254-R272 PolarHBondContact O-NE 3.37Å; Q254-R272 VanDerWaalsContact O-NE 3.15Å; T257-R272 HydrophobicContact CG2-CG 3.59Å; T257-R272 VanDerWaalsContact CG2-NE 3.29Å
273W93.9Very high97.5Very high143 Ų14391.9 Ų91.954%0.54247%0.465SS..  trans-710166.3175.154.8000111V188 H190 L200 E253 Q254V188-W273 HydrophobicContact CG1-CB 3.94Å; H190-W273 HydrophobicContact CB-CD2 3.89Å; H190-W273 VanDerWaalsContact CB-CE2 3.48Å; H190-W273 HydrophobicContact CB-CG 3.99Å; H190-W273 HydrophobicContact CB-CZ2 4Å; H190-W273 VanDerWaalsContact CB-NE1 3.33Å; H190-W273 AromaticContact CG-CE2 3.74Å; H190-W273 AromaticContact CG-CZ2 3.82Å; H190-W273 AromaticContact ND1-CZ2 3.85Å; L200-W273 HydrophobicContact CD2-CB 3.9Å; L200-W273 HydrophobicContact CD2-CG 4.16Å; E253-W273 HydrophobicContact CB-CE3 3.65Å; E253-W273 HydrophobicContact CB-CZ3 4.16Å; E253-W273 HydrophobicContact CG-CE3 3.75Å; E253-W273 HydrophobicContact CG-CZ3 3.91Å; Q254-W273 PolarHBondContact NE2-O 3.32Å

Retrieved 273 of 273 residues in 247.5 ms (Link to these results)

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