A0A061CKU3_HUMAN Loading...

MHC class I antigen

AlphaFold DB (W8XWP2), UniProt , Accession A0A061CKU3, 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
1S96Very high98.5Very high103 Ų10339 Ų3972%0.7221%0.209SC*.  0160.4038.50000107.3V102S1-V102 WeakPolarHBondContact CA-O 3.41Å; S1-V102 VanDerWaalsContact CB-O 3.3Å; S1-V102 WeakPolarHBondContact CB-O 3.24Å
2H98.6Very high98.4Very high41 Ų4137.1 Ų37.119%0.1920%0.201CC..EExtended strand (participates in β ladder)trans-139.5160.2-179.7-65.8-75.4000110.6D28 D101 V102 L167 L171H2-D28 WeakPolarHBondContact CA-OD1 3.49Å; H2-D28 IonicContact CE1-OD2 3.61Å; H2-D28 IonicContact CG-OD2 3.66Å; H2-D28 IonicContact ND1-OD1 3.74Å; H2-D28 IonicContact ND1-OD2 3.46Å; H2-D28 PolarHBondContact ND1-OD2 3.36Å; H2-D101 CarbonylContact O-C 3.6Å; H2-D101 WeakPolarHBondContact O-CA 3.41Å; H2-V102 HydrophobicContact CB-CG2 4.12Å; H2-V102 PolarHBondContact N-O 2.84Å; H2-V102 PolarHBondContact O-N 2.85Å; H2-L167 HydrophobicContact CB-CD1 4.35Å; H2-L171 HydrophobicContact CB-CD1 3.74Å; H2-L171 HydrophobicContact CB-CD2 3.98Å; H2-L171 HydrophobicContact CB-CG 4.43Å; H2-L171 VanDerWaalsContact CG-CD2 3.47Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.5Å
3S98.8Very high98.3Very high23 Ų2340.3 Ų40.316%0.16121%0.208CC..EExtended strand (participates in β ladder)trans-134.4148.6177.164.30000111.2V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.57Å; S3-V27 VanDerWaalsContact O-CA 3.3Å; S3-V27 WeakPolarHBondContact O-CA 3.32Å; S3-D28 PolarHBondContact N-OD1 3.09Å; S3-D28 PolarHBondContact O-N 3.06Å; S3-D28 PolarHBondContact OG-OD1 3.35Å; S3-C100 WeakPolarHBondContact CA-O 3.39Å; S3-D101 WeakPolarHBondContact CB-OD1 3.39Å
4M98.9Very high98Very high1 Ų141.6 Ų41.61%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-121.5125.5165.3-174170.764.500108.4Y6 Y26 V27 F32 G99 C100 C163 W166 L167M4-Y6 HydrophobicContact CE-CE2 4.33Å; M4-Y6 HydrophobicContact CG-CE2 4.39Å; M4-Y6 HydrophobicContact SD-CE2 4.34Å; M4-Y26 CarbonylContact C-O 3.59Å; M4-Y26 WeakPolarHBondContact CA-O 3.34Å; M4-V27 HydrophobicContact CG-CG2 4.29Å; M4-F32 HydrophobicContact CG-CE1 4.36Å; M4-F32 HydrophobicContact CG-CZ 4.48Å; M4-F32 HydrophobicContact SD-CZ 4.23Å; M4-G99 CarbonylContact O-C 3.55Å; M4-G99 WeakPolarHBondContact O-CA 3.38Å; M4-C100 PolarHBondContact N-O 2.87Å; M4-C100 PolarHBondContact O-N 3.28Å; M4-C163 HydrophobicContact CE-CB 4.24Å; M4-C163 WeakPolarHBondContact CE-O 3.14Å; M4-C163 VanDerWaalsContact CE-SG 3.59Å; M4-W166 HydrophobicContact CE-CB 4.02Å; M4-W166 HydrophobicContact SD-CB 4.39Å; M4-L167 HydrophobicContact CB-CB 4Å; M4-L167 HydrophobicContact CB-CD1 3.99Å; M4-L167 HydrophobicContact CB-CD2 4.11Å; M4-L167 HydrophobicContact CB-CG 4.24Å; M4-L167 HydrophobicContact CE-CB 4.42Å; M4-L167 HydrophobicContact SD-CB 4.44Å
5R98.8Very high97.7Very high48 Ų4844.7 Ų44.718%0.18127%0.266CS..EExtended strand (participates in β ladder)trans-131.6139.3-177-57.1-62-177.482.45.7111.3F7 G25 Y26 M97 Y98 D101 H112R5-F7 HydrophobicContact CB-CD2 4.36Å; R5-F7 HydrophobicContact CB-CE2 3.55Å; R5-F7 HydrophobicContact CB-CZ 3.84Å; R5-F7 HydrophobicContact CG-CZ 4.43Å; R5-G25 CarbonylContact O-C 3.52Å; R5-G25 WeakPolarHBondContact O-CA 3.38Å; R5-Y26 PolarHBondContact N-O 3.28Å; R5-Y26 PolarHBondContact O-N 3.41Å; R5-M97 PolarHBondContact NH1-SD 2.74Å; R5-Y98 WeakPolarHBondContact CA-O 3.1Å; R5-D101 IonicContact CZ-OD1 3.84Å; R5-D101 IonicContact NE-OD1 3.65Å; R5-D101 PolarHBondContact NE-OD1 3.14Å; R5-D101 VanDerWaalsContact NH2-CG 3.35Å; R5-D101 IonicContact NH2-OD1 3.62Å; R5-D101 PolarHBondContact NH2-OD1 3.35Å; R5-D101 IonicContact NH2-OD2 3.87Å; R5-D101 PolarHBondContact NH2-OD2 2.97Å; R5-D101 VanDerWaalsContact NH2-OD2 3.14Å; R5-H112 PolarHBondContact NH2-NE2 2.62Å; R5-H112 VanDerWaalsContact NH2-NE2 3.15Å
6Y98.9Very high97.6Very high13 Ų1354.9 Ų54.95%0.05130%0.299CS..EExtended strand (participates in β ladder)trans-111.9134.7167.2-71.8-87.5000109.6M4 Y8 V24 F32 V33 F66 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.33Å; M4-Y6 HydrophobicContact CG-CE2 4.39Å; M4-Y6 HydrophobicContact SD-CE2 4.34Å; Y6-Y8 HydrophobicContact CD1-CE1 4.25Å; Y6-Y8 HydrophobicContact CG-CE1 4.41Å; Y6-V24 WeakPolarHBondContact CA-O 3.48Å; Y6-F32 HydrophobicContact CE1-CZ 4.14Å; Y6-F32 AromaticContact CZ-CZ 3.83Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.36Å; Y6-V33 HydrophobicContact CE1-CG2 3.99Å; Y6-F66 HydrophobicContact CD1-CZ 4.47Å; Y6-F66 HydrophobicContact CE1-CZ 4.31Å; Y6-M97 WeakPolarHBondContact O-CA 3.43Å; Y6-Y98 AromaticContact CD2-CE2 3.76Å; Y6-Y98 HydrophobicContact CD2-CE2 3.76Å; Y6-Y98 AromaticContact CD2-CZ 3.79Å; Y6-Y98 HydrophobicContact CG-CE1 4.34Å; Y6-Y98 HydrophobicContact CG-CE2 4.29Å; Y6-Y98 AromaticContact CG-CZ 3.86Å; Y6-Y98 PolarHBondContact N-O 2.75Å; Y6-Y98 PolarHBondContact O-N 3.14Å
7F98.9Very high97.3Very high85 Ų8555.2 Ų55.237%0.37332%0.317SS..EExtended strand (participates in β ladder)trans-120.6118.9177.8-57.3-94.5000109.3R5 A23 V24 Y26 T96 M97R5-F7 HydrophobicContact CB-CD2 4.36Å; R5-F7 HydrophobicContact CB-CE2 3.55Å; R5-F7 HydrophobicContact CB-CZ 3.84Å; R5-F7 HydrophobicContact CG-CZ 4.43Å; F7-A23 WeakPolarHBondContact O-CA 3.46Å; F7-V24 HydrophobicContact CB-CG2 3.84Å; F7-V24 HydrophobicContact CD2-CG2 4.31Å; F7-V24 PolarHBondContact N-O 3.42Å; F7-V24 PolarHBondContact O-N 3.44Å; F7-Y26 HydrophobicContact CD2-CD2 4.01Å; F7-Y26 HydrophobicContact CE2-CD2 4.03Å; F7-Y26 HydrophobicContact CE2-CG 4.48Å; F7-T96 WeakPolarHBondContact CA-O 3.17Å; F7-M97 HydrophobicContact CD1-CB 4.06Å; F7-M97 HydrophobicContact CD1-CG 3.66Å; F7-M97 HydrophobicContact CE1-CB 4.2Å; F7-M97 HydrophobicContact CE1-CG 3.38Å; F7-M97 HydrophobicContact CZ-CG 4.06Å
8Y98.8Very high97.3Very high5 Ų556.7 Ų56.72%0.0232%0.321CS..EExtended strand (participates in β ladder)trans-112.2138.6178.6-58.1-14.7000110Y6 F21 I22 A23 F66 N69 Y73 Q95 T96 Y98Y6-Y8 HydrophobicContact CD1-CE1 4.25Å; Y6-Y8 HydrophobicContact CG-CE1 4.41Å; Y8-F21 HydrophobicContact CD1-CZ 4.21Å; Y8-F21 HydrophobicContact CD2-CE2 4.27Å; Y8-F21 AromaticContact CD2-CZ 3.99Å; Y8-F21 HydrophobicContact CD2-CZ 3.99Å; Y8-F21 HydrophobicContact CG-CE2 4.13Å; Y8-F21 AromaticContact CG-CZ 3.83Å; Y8-F21 HydrophobicContact CG-CZ 3.83Å; Y8-I22 CarbonylContact C-O 3.53Å; Y8-I22 WeakPolarHBondContact CA-O 3.44Å; Y8-A23 HydrophobicContact CD1-CB 3.32Å; Y8-A23 HydrophobicContact CE1-CB 3.47Å; Y8-A23 VanDerWaalsContact CE1-CB 3.47Å; Y8-A23 HydrophobicContact CG-CB 4.3Å; Y8-F66 HydrophobicContact CE1-CD1 4.2Å; Y8-F66 AromaticContact CE1-CE1 3.58Å; Y8-F66 HydrophobicContact CE1-CE1 3.58Å; Y8-F66 AromaticContact CZ-CE1 3.69Å; Y8-F66 VanDerWaalsContact OH-CE1 3.28Å; Y8-F66 WeakPolarHBondContact OH-CE1 3.4Å; Y8-N69 WeakPolarHBondContact CE2-ND2 3.31Å; Y8-Y73 HydrophobicContact CD2-CE1 4.31Å; Y8-Y73 HydrophobicContact CD2-CE2 4.32Å; Y8-Y73 AromaticContact CD2-CZ 3.78Å; Y8-Y73 WeakPolarHBondContact CD2-OH 3.14Å; Y8-Q95 CarbonylContact O-C 3.58Å; Y8-Q95 VanDerWaalsContact O-CA 3.27Å; Y8-Q95 WeakPolarHBondContact O-CA 3.26Å; Y8-T96 PolarHBondContact N-O 2.95Å; Y8-T96 PolarHBondContact O-N 3.3Å; Y8-Y98 HydrophobicContact CD2-CE1 4.27Å; Y8-Y98 HydrophobicContact CE1-CE1 4.22Å; Y8-Y98 HydrophobicContact CE2-CD1 4.49Å; Y8-Y98 AromaticContact CE2-CE1 3.53Å; Y8-Y98 HydrophobicContact CE2-CE1 3.53Å; Y8-Y98 AromaticContact CZ-CE1 3.49Å; Y8-Y98 VanDerWaalsContact CZ-CE1 3.49Å; Y8-Y98 AromaticContact CZ-CZ 3.94Å; Y8-Y98 PolarHBondContact OH-OH 3.49Å
9T98.8Very high97.3Very high39 Ų3954.6 Ų54.624%0.23931%0.31CS..EExtended strand (participates in β ladder)trans-133.3119.4174.6-53.10000108.7M11 F21 I22 T93 Q95T9-M11 HydrophobicContact CG2-CG 3.8Å; T9-M11 HydrophobicContact CG2-SD 4.26Å; T9-F21 WeakPolarHBondContact O-CA 3.46Å; T9-I22 PolarHBondContact N-O 2.86Å; T9-I22 PolarHBondContact O-N 3.45Å; T9-T93 HydrophobicContact CG2-CG2 4Å; T9-Q95 HydrophobicContact CG2-CG 4.12Å
10A98.6Very high97.3Very high2 Ų255.5 Ų55.52%0.01731%0.308CS..EExtended strand (participates in β ladder)trans-109.9127.1167.900000109.7R20 F21 Y73 L77 T93 W94A10-R20 CarbonylContact C-O 3.59Å; A10-R20 VanDerWaalsContact CA-O 3.27Å; A10-R20 WeakPolarHBondContact CA-O 3.35Å; A10-F21 HydrophobicContact CB-CD2 4.25Å; A10-Y73 HydrophobicContact CB-CD1 3.95Å; A10-Y73 HydrophobicContact CB-CG 4.29Å; A10-L77 HydrophobicContact CB-CD1 4Å; A10-T93 CarbonylContact O-C 3.5Å; A10-T93 WeakPolarHBondContact O-CA 3.38Å; A10-W94 HydrophobicContact CB-CB 4.39Å; A10-W94 PolarHBondContact N-O 3.27Å; A10-W94 PolarHBondContact O-N 2.83Å
11M98.4Very high97.4Very high69 Ų6952.9 Ų52.934%0.3429%0.294SS..EExtended strand (participates in β ladder)trans-123.2117-178.1-55.3179.3-50.500109.6T9 P19 R20 H92 T93T9-M11 HydrophobicContact CG2-CG 3.8Å; T9-M11 HydrophobicContact CG2-SD 4.26Å; M11-P19 CarbonylContact O-C 3.56Å; M11-P19 WeakPolarHBondContact O-CA 3.46Å; M11-P19 WeakPolarHBondContact O-CB 3.33Å; M11-R20 HydrophobicContact CE-CB 4.47Å; M11-R20 PolarHBondContact N-O 3.35Å; M11-R20 PolarHBondContact O-N 2.97Å; M11-H92 WeakPolarHBondContact CA-O 3.45Å; M11-T93 HydrophobicContact CG-CG2 4.36Å
12S97.9Very high97.5Very high16 Ų1649.9 Ų49.911%0.11227%0.269CS..  trans-69.3152171.274.20000110.4G90 S91 H92S12-G90 PolarHBondContact OG-O 2.85Å; S12-S91 PolarHBondContact O-OG 2.83Å; S12-H92 PolarHBondContact N-O 2.85Å; S12-H92 PolarHBondContact OG-N 2.85Å; S12-H92 PolarHBondContact OG-O 3.35Å
13R96.6Very high97.5Very high79 Ų7947.9 Ų47.930%0.29826%0.26SS..  trans-147.170.3-179.751174.4175.5-161.8-8.4110.4G15 R16 E18 D38R13-G15 PolarHBondContact O-N 3.49Å; R13-R16 HydrophobicContact CB-CB 4.19Å; R13-R16 WeakPolarHBondContact CD-O 3.39Å; R13-R16 HydrophobicContact CG-CB 4.25Å; R13-R16 PolarHBondContact NE-O 3.27Å; R13-R16 WeakPolarHBondContact O-CA 3.37Å; R13-R16 PolarHBondContact O-N 2.88Å; R13-E18 PolarHBondContact NE-O 3.37Å; R13-E18 PolarHBondContact NH2-O 2.85Å; R13-E18 VanDerWaalsContact NH2-O 3.1Å; R13-D38 IonicContact CZ-OD1 3.88Å; R13-D38 IonicContact CZ-OD2 3.4Å; R13-D38 IonicContact NH1-OD1 2.95Å; R13-D38 IonicContact NH1-OD2 3.91Å; R13-D38 PolarHBondContact NH1-OD2 3.04Å; R13-D38 IonicContact NH2-OD1 2.9Å; R13-D38 PolarHBondContact NH2-OD1 3.04Å; R13-D38 IonicContact NH2-OD2 2.62Å; R13-D38 PolarHBondContact NH2-OD2 3.16Å
14P93.9Very high97.5Very high58 Ų5848.1 Ų48.138%0.37726%0.26SS..THydrogen-bonded Turntrans-49.5132.7-175.9-27.235.5000112.3R16 E88 G90P14-R16 PolarHBondContact O-N 3.13Å; P14-E88 WeakPolarHBondContact CB-O 3.33Å; P14-E88 WeakPolarHBondContact CG-O 3.09Å; P14-G90 WeakPolarHBondContact CG-O 3.41Å
15G93.9Very high97.5Very high88 Ų8848.1 Ų48.191%0.90726%0.26SS*.THydrogen-bonded Turntrans75.9-0.1-176.500000115.9R13R13-G15 PolarHBondContact O-N 3.49Å
16R95.2Very high97.5Very high209 Ų20949 Ų4979%0.78926%0.264SS*.SBendtrans-124.527.1178.7-58.7-174.7-177.9178.21.6113.3R13 P14R13-R16 HydrophobicContact CB-CB 4.19Å; R13-R16 WeakPolarHBondContact CD-O 3.39Å; R13-R16 HydrophobicContact CG-CB 4.25Å; R13-R16 PolarHBondContact NE-O 3.27Å; R13-R16 WeakPolarHBondContact O-CA 3.37Å; R13-R16 PolarHBondContact O-N 2.88Å; P14-R16 PolarHBondContact O-N 3.13Å
17G93.6Very high97.5Very high59 Ų5948.4 Ų48.461%0.60826%0.262SS*.SBendtrans94-166.3-179.800000113.6
18E96.1Very high97.5Very high82 Ų8245.9 Ų45.938%0.38325%0.252SS..SBendtrans-71.8158.8-178.4-70.5-69.6177.700112.4R13 R20 R74 R78R13-E18 PolarHBondContact NE-O 3.37Å; R13-E18 PolarHBondContact NH2-O 2.85Å; R13-E18 VanDerWaalsContact NH2-O 3.1Å; E18-R20 PolarHBondContact O-N 3.03Å; E18-R74 VanDerWaalsContact CB-NH2 3.29Å; E18-R74 VanDerWaalsContact CD-CZ 3.5Å; E18-R74 IonicContact OE1-NH1 3.97Å; E18-R74 WeakPolarHBondContact OE2-CD 3.45Å; E18-R74 IonicContact OE2-CZ 2.78Å; E18-R74 IonicContact OE2-NE 3.74Å; E18-R74 PolarHBondContact OE2-NE 3.17Å; E18-R74 IonicContact OE2-NH1 2.66Å; E18-R78 IonicContact OE1-NH2 2.94Å; E18-R78 IonicContact OE2-NH2 3.98Å
19P97.4Very high97.5Very high18 Ų1848.6 Ų48.612%0.11727%0.267CS..PPolyproline II helixtrans-52.9134.3175-26.334.5000112.3M11 R74 L77M11-P19 CarbonylContact O-C 3.56Å; M11-P19 WeakPolarHBondContact O-CA 3.46Å; M11-P19 WeakPolarHBondContact O-CB 3.33Å; P19-R74 HydrophobicContact CG-CB 4.46Å; P19-R74 HydrophobicContact CG-CG 4.14Å; P19-L77 HydrophobicContact CB-CD1 3.63Å; P19-L77 HydrophobicContact CG-CD1 3.79Å
20R98.3Very high97.5Very high71 Ų7147.4 Ų47.427%0.26826%0.26SS..EExtended strand (participates in β ladder)trans-79.2132.6173.7-176.9-178.1-174.4178.3-1.6108.9A10 M11 E18 I22 D36 D38A10-R20 CarbonylContact C-O 3.59Å; A10-R20 VanDerWaalsContact CA-O 3.27Å; A10-R20 WeakPolarHBondContact CA-O 3.35Å; M11-R20 HydrophobicContact CE-CB 4.47Å; M11-R20 PolarHBondContact N-O 3.35Å; M11-R20 PolarHBondContact O-N 2.97Å; E18-R20 PolarHBondContact O-N 3.03Å; R20-I22 HydrophobicContact CG-CG1 4.29Å; R20-D36 IonicContact CZ-OD1 3.16Å; R20-D36 IonicContact CZ-OD2 3.27Å; R20-D36 IonicContact NE-OD1 2.68Å; R20-D36 PolarHBondContact NE-OD1 2.95Å; R20-D36 IonicContact NE-OD2 2.74Å; R20-D36 IonicContact NH2-OD1 3.57Å; R20-D36 PolarHBondContact NH2-OD1 2.93Å; R20-D36 IonicContact NH2-OD2 3.3Å; R20-D36 PolarHBondContact NH2-OD2 3.32Å; R20-D38 VanDerWaalsContact CD-OD2 3.22Å; R20-D38 WeakPolarHBondContact CD-OD2 3.39Å; R20-D38 HydrophobicContact CG-CB 4.34Å; R20-D38 IonicContact NE-OD2 3.86Å
21F98.7Very high97.5Very high2 Ų249.9 Ų49.91%0.00927%0.271CS..EExtended strand (participates in β ladder)trans-113.6126.8175.1178.4-95.2000110.1Y8 T9 A10 A23 F35 S37 F66 N69 T70 Y73Y8-F21 HydrophobicContact CD1-CZ 4.21Å; Y8-F21 HydrophobicContact CD2-CE2 4.27Å; Y8-F21 AromaticContact CD2-CZ 3.99Å; Y8-F21 HydrophobicContact CD2-CZ 3.99Å; Y8-F21 HydrophobicContact CG-CE2 4.13Å; Y8-F21 AromaticContact CG-CZ 3.83Å; Y8-F21 HydrophobicContact CG-CZ 3.83Å; T9-F21 WeakPolarHBondContact O-CA 3.46Å; A10-F21 HydrophobicContact CB-CD2 4.25Å; F21-A23 HydrophobicContact CE1-CB 3.77Å; F21-A23 HydrophobicContact CZ-CB 4.02Å; F21-F35 AromaticContact CD1-CD1 3.8Å; F21-F35 HydrophobicContact CD1-CD1 3.8Å; F21-F35 AromaticContact CD1-CE1 3.88Å; F21-F35 HydrophobicContact CD1-CE1 3.88Å; F21-F35 HydrophobicContact CE1-CD1 4.06Å; F21-F35 HydrophobicContact CE1-CE1 4.4Å; F21-S37 PolarHBondContact N-OG 3.29Å; F21-S37 PolarHBondContact O-N 2.87Å; F21-S37 PolarHBondContact O-OG 3.23Å; F21-F66 HydrophobicContact CE1-CB 4.22Å; F21-F66 HydrophobicContact CE1-CD1 4.22Å; F21-N69 HydrophobicContact CE1-CB 4.32Å; F21-N69 HydrophobicContact CE2-CB 4.16Å; F21-N69 HydrophobicContact CZ-CB 3.75Å; F21-T70 HydrophobicContact CB-CG2 3.92Å; F21-T70 VanDerWaalsContact CD1-OG1 3.29Å; F21-T70 WeakPolarHBondContact CD1-OG1 3.35Å; F21-Y73 HydrophobicContact CD2-CD1 4.32Å; F21-Y73 HydrophobicContact CD2-CG 4.18Å; F21-Y73 AromaticContact CE2-CD1 3.99Å; F21-Y73 HydrophobicContact CE2-CD1 3.99Å; F21-Y73 HydrophobicContact CE2-CD2 4.19Å; F21-Y73 HydrophobicContact CE2-CE1 4.32Å; F21-Y73 AromaticContact CE2-CG 3.94Å; F21-Y73 HydrophobicContact CE2-CG 3.94Å
22I98.8Very high97.5Very high39 Ų3946.6 Ų46.620%0.225%0.254CS..EExtended strand (participates in β ladder)trans-123134174.6-59.6171.8000107.7Y8 T9 R20 V24 F35Y8-I22 CarbonylContact C-O 3.53Å; Y8-I22 WeakPolarHBondContact CA-O 3.44Å; T9-I22 PolarHBondContact N-O 2.86Å; T9-I22 PolarHBondContact O-N 3.45Å; R20-I22 HydrophobicContact CG-CG1 4.29Å; I22-V24 HydrophobicContact CG2-CG1 4.41Å; I22-F35 WeakPolarHBondContact CA-O 3.46Å
23A98.8Very high97.5Very high0 Ų045.9 Ų45.90%025%0.25CC..EExtended strand (participates in β ladder)trans-126.9137.6170.800000110.2F7 Y8 F21 R34 F35 F66F7-A23 WeakPolarHBondContact O-CA 3.46Å; Y8-A23 HydrophobicContact CD1-CB 3.32Å; Y8-A23 HydrophobicContact CE1-CB 3.47Å; Y8-A23 VanDerWaalsContact CE1-CB 3.47Å; Y8-A23 HydrophobicContact CG-CB 4.3Å; F21-A23 HydrophobicContact CE1-CB 3.77Å; F21-A23 HydrophobicContact CZ-CB 4.02Å; A23-R34 CarbonylContact O-C 3.48Å; A23-R34 VanDerWaalsContact O-CA 3.32Å; A23-R34 WeakPolarHBondContact O-CA 3.46Å; A23-F35 HydrophobicContact CB-CB 4.27Å; A23-F35 PolarHBondContact N-O 2.64Å; A23-F35 PolarHBondContact O-N 2.85Å; A23-F66 HydrophobicContact CB-CD1 3.65Å; A23-F66 HydrophobicContact CB-CE1 3.55Å; A23-F66 HydrophobicContact CB-CG 4.35Å; A23-F66 HydrophobicContact CB-CZ 4.2Å
24V98.9Very high97.6Very high28 Ų2846.3 Ų46.317%0.1725%0.251CS..EExtended strand (participates in β ladder)trans-132.9143.3172.9-630000109.9Y6 F7 I22 Y26 Q31 V33 R34Y6-V24 WeakPolarHBondContact CA-O 3.48Å; F7-V24 HydrophobicContact CB-CG2 3.84Å; F7-V24 HydrophobicContact CD2-CG2 4.31Å; F7-V24 PolarHBondContact N-O 3.42Å; F7-V24 PolarHBondContact O-N 3.44Å; I22-V24 HydrophobicContact CG2-CG1 4.41Å; V24-Y26 HydrophobicContact CB-CE2 4.1Å; V24-Y26 HydrophobicContact CG2-CD2 4.28Å; V24-Y26 HydrophobicContact CG2-CE2 3.78Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.28Å; V24-V33 WeakPolarHBondContact CA-O 3.42Å; V24-R34 HydrophobicContact CG1-CB 4.45Å; V24-R34 HydrophobicContact CG1-CG 4.27Å
25G98.8Very high97.9Very high0 Ų043.7 Ų43.70%023%0.234CC..EExtended strand (participates in β ladder)trans-116.7138.5176.200000110.6R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.52Å; R5-G25 WeakPolarHBondContact O-CA 3.38Å; G25-Q31 WeakPolarHBondContact O-CA 3.47Å; G25-F32 WeakPolarHBondContact O-CD1 3.23Å; G25-F32 PolarHBondContact O-N 2.84Å; G25-V33 PolarHBondContact N-O 2.83Å; G25-V33 VanDerWaalsContact N-O 3.1Å
26Y98.9Very high98.1Very high68 Ų6840.1 Ų40.127%0.26719%0.194SC..EExtended strand (participates in β ladder)trans-126.2142178.5-78.4-101.5000111.1M4 R5 F7 V24 T30 Q31 F32M4-Y26 CarbonylContact C-O 3.59Å; M4-Y26 WeakPolarHBondContact CA-O 3.34Å; R5-Y26 PolarHBondContact N-O 3.28Å; R5-Y26 PolarHBondContact O-N 3.41Å; F7-Y26 HydrophobicContact CD2-CD2 4.01Å; F7-Y26 HydrophobicContact CE2-CD2 4.03Å; F7-Y26 HydrophobicContact CE2-CG 4.48Å; V24-Y26 HydrophobicContact CB-CE2 4.1Å; V24-Y26 HydrophobicContact CG2-CD2 4.28Å; V24-Y26 HydrophobicContact CG2-CE2 3.78Å; Y26-T30 WeakPolarHBondContact CA-O 3.32Å; Y26-Q31 HydrophobicContact CD1-CB 4.07Å; Y26-Q31 VanDerWaalsContact CD1-N 3.35Å; Y26-Q31 HydrophobicContact CD2-CG 4.36Å; Y26-Q31 HydrophobicContact CE1-CB 3.56Å; Y26-Q31 HydrophobicContact CE1-CG 4.3Å; Y26-Q31 HydrophobicContact CE2-CB 4.05Å; Y26-Q31 HydrophobicContact CE2-CG 3.86Å; Y26-F32 VanDerWaalsContact N-CE1 3.32Å
27V98.9Very high98.3Very high0 Ų031.5 Ų31.50%017%0.166CC..EExtended strand (participates in β ladder)trans-110.9117.5156.8176.70000106.3S3 M4 D29 T30 F32 W50 L167 H170 L171 L178S3-V27 CarbonylContact O-C 3.57Å; S3-V27 VanDerWaalsContact O-CA 3.3Å; S3-V27 WeakPolarHBondContact O-CA 3.32Å; M4-V27 HydrophobicContact CG-CG2 4.29Å; V27-D29 PolarHBondContact O-N 2.84Å; V27-T30 PolarHBondContact N-O 2.62Å; V27-T30 WeakPolarHBondContact O-CB 3.47Å; V27-T30 PolarHBondContact O-N 2.94Å; V27-F32 HydrophobicContact CG2-CD1 4.08Å; V27-F32 HydrophobicContact CG2-CE1 4.08Å; V27-W50 HydrophobicContact CB-CH2 4.45Å; V27-W50 HydrophobicContact CB-CZ2 4.5Å; V27-W50 HydrophobicContact CG2-CH2 3.91Å; V27-W50 HydrophobicContact CG2-CZ2 4.43Å; V27-L167 HydrophobicContact CG1-CD1 3.6Å; V27-L167 HydrophobicContact CG2-CD1 4.21Å; V27-H170 HydrophobicContact CG2-CB 4.1Å; V27-L171 HydrophobicContact CG1-CD2 4.11Å; V27-L178 HydrophobicContact CB-CD1 4.29Å; V27-L178 HydrophobicContact CB-CD2 4.16Å; V27-L178 HydrophobicContact CG1-CD1 3.93Å; V27-L178 HydrophobicContact CG1-CD2 4.08Å
28D98.6Very high98.5Very high31 Ų3131.9 Ų31.917%0.16615%0.154CC..THydrogen-bonded Turntrans48.1-125.5-165.9-51.4-41.3000110.6H2 S3 T30H2-D28 WeakPolarHBondContact CA-OD1 3.49Å; H2-D28 IonicContact CE1-OD2 3.61Å; H2-D28 IonicContact CG-OD2 3.66Å; H2-D28 IonicContact ND1-OD1 3.74Å; H2-D28 IonicContact ND1-OD2 3.46Å; H2-D28 PolarHBondContact ND1-OD2 3.36Å; S3-D28 PolarHBondContact N-OD1 3.09Å; S3-D28 PolarHBondContact O-N 3.06Å; S3-D28 PolarHBondContact OG-OD1 3.35Å; D28-T30 VanDerWaalsContact C-N 3.32Å
29D98.5Very high98.5Very high62 Ų6229.6 Ų29.633%0.33215%0.149SC..THydrogen-bonded Turntrans-91.813.3178.5-62.7-50.5000113.6V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 2.84Å; D29-Y208 HydrophobicContact CB-CE2 3.8Å; D29-P209 WeakPolarHBondContact OD2-CB 3.03Å; D29-A210 WeakPolarHBondContact OD2-CB 3.4Å; D29-A210 PolarHBondContact OD2-N 3.13Å; D29-F240 HydrophobicContact CB-CE2 3.79Å; D29-F240 HydrophobicContact CB-CZ 3.78Å
30T98.6Very high98.6Very high15 Ų1534.3 Ų34.39%0.09219%0.189CC..EExtended strand (participates in β ladder)trans-107.6111.9-178.5-58.60000111.5Y26 V27 D28 F32 A48 L178 Y208 R238Y26-T30 WeakPolarHBondContact CA-O 3.32Å; V27-T30 PolarHBondContact N-O 2.62Å; V27-T30 WeakPolarHBondContact O-CB 3.47Å; V27-T30 PolarHBondContact O-N 2.94Å; D28-T30 VanDerWaalsContact C-N 3.32Å; T30-F32 PolarHBondContact O-N 3.17Å; T30-A48 HydrophobicContact CG2-CB 4.48Å; T30-L178 HydrophobicContact CG2-CD2 4.06Å; T30-Y208 WeakPolarHBondContact OG1-CE2 3.28Å; T30-Y208 PolarHBondContact OG1-OH 2.86Å; T30-R238 PolarHBondContact OG1-NE 2.81Å
31Q98.6Very high98.5Very high53 Ų5334.5 Ų34.525%0.24820%0.201CC..EExtended strand (participates in β ladder)trans-67.3131.5172.8-167.4179.6-2.900110.4V24 G25 Y26 V33 R47V24-Q31 VanDerWaalsContact CG1-NE2 3.28Å; G25-Q31 WeakPolarHBondContact O-CA 3.47Å; Y26-Q31 HydrophobicContact CD1-CB 4.07Å; Y26-Q31 VanDerWaalsContact CD1-N 3.35Å; Y26-Q31 HydrophobicContact CD2-CG 4.36Å; Y26-Q31 HydrophobicContact CE1-CB 3.56Å; Y26-Q31 HydrophobicContact CE1-CG 4.3Å; Y26-Q31 HydrophobicContact CE2-CB 4.05Å; Y26-Q31 HydrophobicContact CE2-CG 3.86Å; Q31-V33 PolarHBondContact NE2-O 2.86Å; Q31-R47 HydrophobicContact CG-CB 4.12Å; Q31-R47 HydrophobicContact CG-CG 4.36Å; Q31-R47 CarbonylContact O-C 3.57Å
32F98.7Very high98.5Very high0 Ų036 Ų360%021%0.211CC..EExtended strand (participates in β ladder)trans-121.6-23.4-179.674.2-84.2000114.6M4 Y6 G25 Y26 V27 T30 R47 A48 W50 I51 H170M4-F32 HydrophobicContact CG-CE1 4.36Å; M4-F32 HydrophobicContact CG-CZ 4.48Å; M4-F32 HydrophobicContact SD-CZ 4.23Å; Y6-F32 HydrophobicContact CE1-CZ 4.14Å; Y6-F32 AromaticContact CZ-CZ 3.83Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.36Å; G25-F32 WeakPolarHBondContact O-CD1 3.23Å; G25-F32 PolarHBondContact O-N 2.84Å; Y26-F32 VanDerWaalsContact N-CE1 3.32Å; V27-F32 HydrophobicContact CG2-CD1 4.08Å; V27-F32 HydrophobicContact CG2-CE1 4.08Å; T30-F32 PolarHBondContact O-N 3.17Å; F32-R47 PolarHBondContact O-N 2.62Å; F32-A48 HydrophobicContact CB-CB 4.1Å; F32-W50 HydrophobicContact CB-CH2 3.13Å; F32-W50 HydrophobicContact CB-CZ2 3.38Å; F32-W50 HydrophobicContact CB-CZ3 3.94Å; F32-W50 HydrophobicContact CD1-CH2 4.01Å; F32-W50 AromaticContact CD2-CH2 3.81Å; F32-W50 HydrophobicContact CD2-CH2 3.81Å; F32-W50 HydrophobicContact CD2-CZ3 4.07Å; 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 4.12Å; F32-W50 HydrophobicContact CG-CZ3 4.14Å; F32-I51 HydrophobicContact CD2-CB 4.45Å; F32-I51 HydrophobicContact CD2-CD1 3.95Å; F32-I51 HydrophobicContact CD2-CG1 4.04Å; F32-I51 HydrophobicContact CE2-CD1 4.3Å; F32-I51 VanDerWaalsContact O-CG2 3.3Å; F32-I51 WeakPolarHBondContact O-CG2 3.41Å; F32-H170 AromaticContact CE2-NE2 3.77Å
33V98.7Very high98.4Very high2 Ų241.1 Ų41.11%0.01223%0.228CC..EExtended strand (participates in β ladder)trans-139155.4175.6-71.40000112.8Y6 V24 G25 Q31 T44 E45 I51 W59Y6-V33 HydrophobicContact CE1-CG2 3.99Å; V24-V33 WeakPolarHBondContact CA-O 3.42Å; G25-V33 PolarHBondContact N-O 2.83Å; G25-V33 VanDerWaalsContact N-O 3.1Å; Q31-V33 PolarHBondContact NE2-O 2.86Å; V33-T44 HydrophobicContact CB-CG2 3.97Å; V33-T44 HydrophobicContact CG1-CG2 3.96Å; V33-E45 WeakPolarHBondContact CA-O 3.27Å; V33-I51 HydrophobicContact CG1-CG1 4.41Å; V33-W59 HydrophobicContact CG1-CH2 4.21Å; V33-W59 HydrophobicContact CG1-CZ3 3.92Å
34R98.7Very high98.4Very high87 Ų8741.5 Ų41.533%0.32823%0.23SC..EExtended strand (participates in β ladder)trans-140.3146.5169.3178.7174.9170.6-179.8-3.7110.9A23 V24 D36 T44 E45 R47A23-R34 CarbonylContact O-C 3.48Å; A23-R34 VanDerWaalsContact O-CA 3.32Å; A23-R34 WeakPolarHBondContact O-CA 3.46Å; V24-R34 HydrophobicContact CG1-CB 4.45Å; V24-R34 HydrophobicContact CG1-CG 4.27Å; R34-D36 IonicContact CZ-OD2 3.94Å; R34-D36 IonicContact NH2-OD2 2.78Å; R34-D36 PolarHBondContact NH2-OD2 3.09Å; R34-T44 WeakPolarHBondContact O-CA 3.31Å; R34-E45 PolarHBondContact N-O 3.39Å; R34-E45 PolarHBondContact O-N 2.99Å; R34-R47 HydrophobicContact CB-CG 4.04Å
35F98.8Very high98.4Very high3 Ų343.4 Ų43.41%0.01324%0.238CC..EExtended strand (participates in β ladder)trans-133142.5163.5177.3-83000109.1F21 I22 A23 P42 F66 K67F21-F35 AromaticContact CD1-CD1 3.8Å; F21-F35 HydrophobicContact CD1-CD1 3.8Å; F21-F35 AromaticContact CD1-CE1 3.88Å; F21-F35 HydrophobicContact CD1-CE1 3.88Å; F21-F35 HydrophobicContact CE1-CD1 4.06Å; F21-F35 HydrophobicContact CE1-CE1 4.4Å; I22-F35 WeakPolarHBondContact CA-O 3.46Å; A23-F35 HydrophobicContact CB-CB 4.27Å; A23-F35 PolarHBondContact N-O 2.64Å; A23-F35 PolarHBondContact O-N 2.85Å; F35-P42 HydrophobicContact CE1-CB 4.5Å; F35-P42 HydrophobicContact CE2-CB 3.89Å; F35-P42 HydrophobicContact CZ-CB 3.69Å; F35-F66 HydrophobicContact CB-CB 4.07Å; F35-F66 HydrophobicContact CB-CD2 3.57Å; F35-F66 HydrophobicContact CB-CE2 4.15Å; F35-F66 HydrophobicContact CB-CG 3.85Å; F35-F66 HydrophobicContact CD1-CB 3.72Å; F35-F66 HydrophobicContact CD1-CG 4.36Å; F35-F66 HydrophobicContact CD2-CB 3.56Å; F35-F66 AromaticContact CD2-CD2 3.91Å; F35-F66 HydrophobicContact CD2-CD2 3.91Å; F35-F66 HydrophobicContact CD2-CG 4.12Å; F35-F66 HydrophobicContact CE1-CB 3.98Å; F35-F66 HydrophobicContact CE2-CB 3.84Å; F35-F66 HydrophobicContact CG-CB 3.5Å; F35-F66 AromaticContact CG-CD2 3.87Å; F35-F66 HydrophobicContact CG-CD2 3.87Å; F35-F66 AromaticContact CG-CG 3.87Å; F35-F66 HydrophobicContact CG-CG 3.87Å; F35-F66 HydrophobicContact CZ-CB 4.04Å; F35-K67 HydrophobicContact CE2-CG 4.22Å; F35-K67 HydrophobicContact CZ-CG 4.02Å
36D98.8Very high98.4Very high14 Ų1445.6 Ų45.68%0.07525%0.252CS..EExtended strand (participates in β ladder)trans-140.6118.9178.2-163.4-26.7000109.6R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 3.16Å; R20-D36 IonicContact CZ-OD2 3.27Å; R20-D36 IonicContact NE-OD1 2.68Å; R20-D36 PolarHBondContact NE-OD1 2.95Å; R20-D36 IonicContact NE-OD2 2.74Å; R20-D36 IonicContact NH2-OD1 3.57Å; R20-D36 PolarHBondContact NH2-OD1 2.93Å; R20-D36 IonicContact NH2-OD2 3.3Å; R20-D36 PolarHBondContact NH2-OD2 3.32Å; R34-D36 IonicContact CZ-OD2 3.94Å; R34-D36 IonicContact NH2-OD2 2.78Å; R34-D36 PolarHBondContact NH2-OD2 3.09Å; D36-D38 PolarHBondContact O-N 3.31Å; D36-D38 PolarHBondContact OD1-N 3.17Å; D36-D38 VanDerWaalsContact OD1-N 3.17Å; D36-A39 HydrophobicContact CB-CB 4.47Å; D36-A39 WeakPolarHBondContact O-CB 2.99Å; D36-A39 PolarHBondContact O-N 2.77Å
37S98.4Very high98.4Very high28 Ų2847.3 Ų47.320%0.19626%0.258CS..THydrogen-bonded Turntrans-66-20.8-178.868.90000113.3F21 P42F21-S37 PolarHBondContact N-OG 3.29Å; F21-S37 PolarHBondContact O-N 2.87Å; F21-S37 PolarHBondContact O-OG 3.23Å; S37-P42 WeakPolarHBondContact O-CG 3.47Å
38D98Very high98.3Very high67 Ų6747.5 Ų47.536%0.35826%0.259SS..THydrogen-bonded Turntrans-88.3-2.8179.4-77.77000112.8R13 R20 D36R13-D38 IonicContact CZ-OD1 3.88Å; R13-D38 IonicContact CZ-OD2 3.4Å; R13-D38 IonicContact NH1-OD1 2.95Å; R13-D38 IonicContact NH1-OD2 3.91Å; R13-D38 PolarHBondContact NH1-OD2 3.04Å; R13-D38 IonicContact NH2-OD1 2.9Å; R13-D38 PolarHBondContact NH2-OD1 3.04Å; R13-D38 IonicContact NH2-OD2 2.62Å; R13-D38 PolarHBondContact NH2-OD2 3.16Å; R20-D38 VanDerWaalsContact CD-OD2 3.22Å; R20-D38 WeakPolarHBondContact CD-OD2 3.39Å; R20-D38 HydrophobicContact CG-CB 4.34Å; R20-D38 IonicContact NE-OD2 3.86Å; D36-D38 PolarHBondContact O-N 3.31Å; D36-D38 PolarHBondContact OD1-N 3.17Å; D36-D38 VanDerWaalsContact OD1-N 3.17Å
39A97.7Very high98.3Very high34 Ų3451 Ų5128%0.28128%0.284SS..SBendtrans-62.8150.2173.100000110.8D36 S41 P42D36-A39 HydrophobicContact CB-CB 4.47Å; D36-A39 WeakPolarHBondContact O-CB 2.99Å; D36-A39 PolarHBondContact O-N 2.77Å; A39-S41 PolarHBondContact O-N 2.86Å; A39-P42 WeakPolarHBondContact O-CD 3.49Å; A39-P42 VanDerWaalsContact O-CG 3.31Å; A39-P42 WeakPolarHBondContact O-CG 3.49Å
40A97.5Very high98.2Very high116 Ų11649 Ų4996%0.95927%0.271SS*.SBendtrans-58.9-32.4179.300000112.8
41S97.3Very high98.2Very high75 Ų7548.2 Ų48.252%0.52427%0.267SS..SBendtrans-13587.8171.8-174.30000108.8A39 R43A39-S41 PolarHBondContact O-N 2.86Å; S41-R43 PolarHBondContact O-N 3.35Å
42P97.8Very high98.2Very high33 Ų3351.7 Ų51.721%0.21428%0.283CS..  trans-61113.3-174.7-2636.4000111.9F35 S37 A39 K67F35-P42 HydrophobicContact CE1-CB 4.5Å; F35-P42 HydrophobicContact CE2-CB 3.89Å; F35-P42 HydrophobicContact CZ-CB 3.69Å; S37-P42 WeakPolarHBondContact O-CG 3.47Å; A39-P42 WeakPolarHBondContact O-CD 3.49Å; A39-P42 VanDerWaalsContact O-CG 3.31Å; A39-P42 WeakPolarHBondContact O-CG 3.49Å; P42-K67 VanDerWaalsContact O-CE 3.27Å; P42-K67 WeakPolarHBondContact O-CE 2.98Å
43R98.3Very high98Very high147 Ų14757.4 Ų57.456%0.55531%0.31SS*.  trans-141.6159.1177.9-68.8-169.6172.8-174.3-5.6110.1S41 E45 T63S41-R43 PolarHBondContact O-N 3.35Å; R43-E45 PolarHBondContact O-N 3.05Å; R43-T63 HydrophobicContact CB-CG2 4.39Å; R43-T63 HydrophobicContact CG-CG2 4.19Å
44T98.4Very high98Very high8 Ų858 Ų585%0.04931%0.312CS..  trans-71.8126167.5-47.40000108.2V33 R34 W59 N62 T63 F66V33-T44 HydrophobicContact CB-CG2 3.97Å; V33-T44 HydrophobicContact CG1-CG2 3.96Å; R34-T44 WeakPolarHBondContact O-CA 3.31Å; T44-W59 HydrophobicContact CG2-CE3 4.02Å; T44-W59 HydrophobicContact CG2-CZ3 3.89Å; T44-N62 HydrophobicContact CG2-CB 4.3Å; T44-N62 VanDerWaalsContact OG1-C 3.29Å; T44-T63 PolarHBondContact N-OG1 3.31Å; T44-T63 WeakPolarHBondContact OG1-CA 3.41Å; T44-T63 PolarHBondContact OG1-N 3.2Å; T44-T63 VanDerWaalsContact OG1-N 3.09Å; T44-T63 PolarHBondContact OG1-OG1 3.18Å; T44-F66 HydrophobicContact CG2-CD2 4.29Å; T44-F66 HydrophobicContact CG2-CE2 3.69Å; T44-F66 WeakPolarHBondContact OG1-CD2 3.39Å; T44-F66 WeakPolarHBondContact OG1-CE2 3.48Å
45E98.4Very high97.9Very high69 Ų6955.3 Ų55.332%0.32231%0.311SS..EExtended strand (participates in β ladder)trans-114.5140.5-177.3-63.6177.1169.200110.6V33 R34 R43 R47V33-E45 WeakPolarHBondContact CA-O 3.27Å; R34-E45 PolarHBondContact N-O 3.39Å; R34-E45 PolarHBondContact O-N 2.99Å; R43-E45 PolarHBondContact O-N 3.05Å; E45-R47 IonicContact OE2-CZ 2.71Å; E45-R47 VanDerWaalsContact OE2-CZ 3.29Å; E45-R47 IonicContact OE2-NH1 2.95Å; E45-R47 PolarHBondContact OE2-NH1 3.28Å; E45-R47 IonicContact OE2-NH2 3.61Å; E45-R47 PolarHBondContact OE2-NH2 2.81Å
46P98.5Very high97.9Very high45 Ų4559 Ų5929%0.29234%0.336SS..EExtended strand (participates in β ladder)trans-66.8146.9172.829-34.3000111.1I51 E52 W59P46-I51 HydrophobicContact CB-CG2 3.76Å; P46-E52 HydrophobicContact CB-CG 3.78Å; P46-E52 HydrophobicContact CG-CG 4.12Å; P46-W59 HydrophobicContact CB-CH2 3.7Å; P46-W59 HydrophobicContact CB-CZ2 4.15Å; P46-W59 HydrophobicContact CB-CZ3 4.49Å; P46-W59 HydrophobicContact CG-CH2 4.35Å
47R98.4Very high97.8Very high105 Ų10565 Ų6540%0.39636%0.364SS..  trans-131.5-1.3173.9-63.6-65.2179.2-114.38.9113.6Q31 F32 R34 E45Q31-R47 HydrophobicContact CG-CB 4.12Å; Q31-R47 HydrophobicContact CG-CG 4.36Å; Q31-R47 CarbonylContact O-C 3.57Å; F32-R47 PolarHBondContact O-N 2.62Å; R34-R47 HydrophobicContact CB-CG 4.04Å; E45-R47 IonicContact OE2-CZ 2.71Å; E45-R47 VanDerWaalsContact OE2-CZ 3.29Å; E45-R47 IonicContact OE2-NH1 2.95Å; E45-R47 PolarHBondContact OE2-NH1 3.28Å; E45-R47 IonicContact OE2-NH2 3.61Å; E45-R47 PolarHBondContact OE2-NH2 2.81Å
48A97.7Very high97.8Very high4 Ų464.5 Ų64.53%0.03336%0.358CS..SBendtrans-137.8144.7173.100000110.7T30 F32 W50 I51T30-A48 HydrophobicContact CG2-CB 4.48Å; F32-A48 HydrophobicContact CB-CB 4.1Å; A48-W50 VanDerWaalsContact C-N 3.3Å; A48-W50 HydrophobicContact CB-CD2 4.18Å; A48-W50 HydrophobicContact CB-CG 4.4Å; A48-W50 HydrophobicContact CB-CZ2 3.99Å; A48-W50 PolarHBondContact O-N 2.95Å; A48-I51 WeakPolarHBondContact O-CG2 3.47Å; A48-I51 PolarHBondContact O-N 3.42Å
49P97.8Very high97.8Very high104 Ų10463.4 Ų63.468%0.67535%0.348SS*.G310 helixtrans-58.9-38-177-26.434.8000113.9I51 E52P49-I51 PolarHBondContact O-N 3.08Å; P49-E52 WeakPolarHBondContact O-CB 3.37Å; P49-E52 PolarHBondContact O-N 2.98Å; P49-E52 VanDerWaalsContact O-N 3.12Å
50W97.9Very high97.8Very high19 Ų1966.5 Ų66.57%0.07236%0.36CS..G310 helixtrans-70.4-13.4-175.453.3-105.9000114.4V27 F32 A48 Q53 H170 N173 L178V27-W50 HydrophobicContact CB-CH2 4.45Å; V27-W50 HydrophobicContact CB-CZ2 4.5Å; V27-W50 HydrophobicContact CG2-CH2 3.91Å; V27-W50 HydrophobicContact CG2-CZ2 4.43Å; F32-W50 HydrophobicContact CB-CH2 3.13Å; F32-W50 HydrophobicContact CB-CZ2 3.38Å; F32-W50 HydrophobicContact CB-CZ3 3.94Å; F32-W50 HydrophobicContact CD1-CH2 4.01Å; F32-W50 AromaticContact CD2-CH2 3.81Å; F32-W50 HydrophobicContact CD2-CH2 3.81Å; F32-W50 HydrophobicContact CD2-CZ3 4.07Å; 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 4.12Å; F32-W50 HydrophobicContact CG-CZ3 4.14Å; A48-W50 VanDerWaalsContact C-N 3.3Å; A48-W50 HydrophobicContact CB-CD2 4.18Å; A48-W50 HydrophobicContact CB-CG 4.4Å; A48-W50 HydrophobicContact CB-CZ2 3.99Å; A48-W50 PolarHBondContact O-N 2.95Å; W50-Q53 WeakPolarHBondContact O-CG 3.42Å; W50-H170 HydrophobicContact CE3-CB 4.31Å; W50-H170 HydrophobicContact CH2-CB 4Å; W50-H170 HydrophobicContact CZ3-CB 3.63Å; W50-H170 AromaticContact CZ3-CG 3.54Å; W50-H170 AromaticContact CZ3-ND1 3.67Å; W50-N173 HydrophobicContact CB-CB 4.44Å; W50-L178 HydrophobicContact CD2-CD1 4.38Å; W50-L178 HydrophobicContact CH2-CD1 4.37Å; W50-L178 HydrophobicContact CZ2-CD1 3.83Å; W50-L178 HydrophobicContact CZ2-CD2 4.16Å; W50-L178 HydrophobicContact CZ2-CG 4.42Å
51I98.3Very high97.8Very high0 Ų067.8 Ų67.80%034%0.34CS..G310 helixtrans-88.9-19.5173.5-161.872.4000111.8F32 V33 P46 A48 P49 Q53 E54 Y58 W59 H170F32-I51 HydrophobicContact CD2-CB 4.45Å; F32-I51 HydrophobicContact CD2-CD1 3.95Å; F32-I51 HydrophobicContact CD2-CG1 4.04Å; F32-I51 HydrophobicContact CE2-CD1 4.3Å; F32-I51 VanDerWaalsContact O-CG2 3.3Å; F32-I51 WeakPolarHBondContact O-CG2 3.41Å; V33-I51 HydrophobicContact CG1-CG1 4.41Å; P46-I51 HydrophobicContact CB-CG2 3.76Å; A48-I51 WeakPolarHBondContact O-CG2 3.47Å; A48-I51 PolarHBondContact O-N 3.42Å; P49-I51 PolarHBondContact O-N 3.08Å; I51-Q53 PolarHBondContact O-N 3.19Å; I51-Q53 VanDerWaalsContact O-N 3.15Å; I51-E54 HydrophobicContact CD1-CG 3.67Å; I51-E54 HydrophobicContact CG1-CG 4.14Å; I51-E54 WeakPolarHBondContact O-CB 3.22Å; I51-E54 WeakPolarHBondContact O-CG 3.39Å; I51-E54 PolarHBondContact O-N 3.06Å; I51-Y58 HydrophobicContact CD1-CE1 4.19Å; I51-Y58 HydrophobicContact CG1-CE1 4.15Å; I51-W59 HydrophobicContact CB-CH2 4.42Å; I51-W59 HydrophobicContact CG1-CH2 3.78Å; I51-W59 HydrophobicContact CG1-CZ2 4.12Å; I51-W59 HydrophobicContact CG2-CH2 3.89Å; I51-W59 HydrophobicContact CG2-CZ2 4.37Å; I51-W59 WeakPolarHBondContact O-CZ2 3.36Å; I51-H170 WeakPolarHBondContact CD1-CE1 3.17Å
52E97.3Very high97.9Very high126 Ų12665.2 Ų65.259%0.58932%0.321SS*.THydrogen-bonded Turntrans-64.4-22.3-175.8-64.9-179.4-175.100113.3P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.78Å; P46-E52 HydrophobicContact CG-CG 4.12Å; P49-E52 WeakPolarHBondContact O-CB 3.37Å; P49-E52 PolarHBondContact O-N 2.98Å; P49-E52 VanDerWaalsContact O-N 3.12Å; E52-E54 PolarHBondContact O-N 3.14Å
53Q96.2Very high97.9Very high119 Ų11964.2 Ų64.256%0.55631%0.314SS*.THydrogen-bonded Turntrans-73.3-10.4175.567177.312.200114.2W50 I51 N173W50-Q53 WeakPolarHBondContact O-CG 3.42Å; I51-Q53 PolarHBondContact O-N 3.19Å; I51-Q53 VanDerWaalsContact O-N 3.15Å; Q53-N173 VanDerWaalsContact NE2-CB 3.27Å; Q53-N173 PolarHBondContact NE2-ND2 3.15Å; Q53-N173 PolarHBondContact NE2-OD1 3.08Å; Q53-N173 VanDerWaalsContact NE2-OD1 3.08Å
54E97.8Very high97.9Very high15 Ų1562.6 Ų62.67%0.0731%0.313CS..SBendtrans-66.8138.4175-63.2-60.8165.400110.8I51 E52 Y58 W59 R169 N173I51-E54 HydrophobicContact CD1-CG 3.67Å; I51-E54 HydrophobicContact CG1-CG 4.14Å; I51-E54 WeakPolarHBondContact O-CB 3.22Å; I51-E54 WeakPolarHBondContact O-CG 3.39Å; I51-E54 PolarHBondContact O-N 3.06Å; E52-E54 PolarHBondContact O-N 3.14Å; E54-Y58 HydrophobicContact CB-CD1 3.72Å; E54-Y58 HydrophobicContact CB-CD2 4.47Å; E54-Y58 HydrophobicContact CB-CE1 4.38Å; E54-Y58 HydrophobicContact CB-CG 3.78Å; E54-Y58 HydrophobicContact CG-CD1 4.16Å; E54-Y58 HydrophobicContact CG-CD2 4.39Å; E54-Y58 HydrophobicContact CG-CE1 4.41Å; E54-Y58 HydrophobicContact CG-CG 4.16Å; E54-W59 PolarHBondContact O-NE1 2.92Å; E54-R169 IonicContact OE1-CZ 2.68Å; E54-R169 IonicContact OE1-NE 3.85Å; E54-R169 PolarHBondContact OE1-NE 3.43Å; E54-R169 IonicContact OE1-NH2 2.84Å; E54-R169 PolarHBondContact OE1-NH2 2.76Å; E54-R169 IonicContact OE2-CZ 3.14Å; E54-R169 IonicContact OE2-NE 3.71Å; E54-R169 PolarHBondContact OE2-NE 3.12Å; E54-R169 IonicContact OE2-NH2 2.75Å; E54-R169 PolarHBondContact OE2-NH2 3.38Å; E54-N173 PolarHBondContact OE1-ND2 2.79Å
55G97.3Very high97.9Very high30 Ų3065.2 Ų65.231%0.30933%0.326SS..  trans-68.8167.3-176.300000114.1E57 Y58G55-E57 PolarHBondContact O-N 2.96Å; G55-E57 VanDerWaalsContact O-N 3.15Å; G55-Y58 WeakPolarHBondContact O-CB 3.48Å; G55-Y58 PolarHBondContact O-N 3.07Å
56P97.6Very high97.9Very high82 Ų8262 Ų6253%0.53231%0.311SS..Hα-helixtrans-56.5-32.2-179.723.8-33.2000113Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.27Å; P56-Y58 PolarHBondContact O-N 2.78Å; P56-W59 PolarHBondContact O-N 2.66Å; P56-W59 VanDerWaalsContact O-N 3.17Å; P56-D60 WeakPolarHBondContact O-CB 3.39Å; P56-D60 PolarHBondContact O-N 2.83Å
57E97.7Very high97.9Very high140 Ų14064.1 Ų64.165%0.65432%0.315SS*.Hα-helixtrans-61.8-35.4178.5-5978.9-172.500112.2G55 R61G55-E57 PolarHBondContact O-N 2.96Å; G55-E57 VanDerWaalsContact O-N 3.15Å; E57-R61 WeakPolarHBondContact O-CB 3.4Å; E57-R61 PolarHBondContact O-N 3.29Å
58Y97.7Very high97.8Very high17 Ų1762.6 Ų62.67%0.06732%0.318CS..Hα-helixtrans-65.2-47.8175.1173.5-91000110.7I51 E54 G55 P56 N62 W166I51-Y58 HydrophobicContact CD1-CE1 4.19Å; I51-Y58 HydrophobicContact CG1-CE1 4.15Å; E54-Y58 HydrophobicContact CB-CD1 3.72Å; E54-Y58 HydrophobicContact CB-CD2 4.47Å; E54-Y58 HydrophobicContact CB-CE1 4.38Å; E54-Y58 HydrophobicContact CB-CG 3.78Å; E54-Y58 HydrophobicContact CG-CD1 4.16Å; E54-Y58 HydrophobicContact CG-CD2 4.39Å; E54-Y58 HydrophobicContact CG-CE1 4.41Å; E54-Y58 HydrophobicContact CG-CG 4.16Å; G55-Y58 WeakPolarHBondContact O-CB 3.48Å; G55-Y58 PolarHBondContact O-N 3.07Å; P56-Y58 VanDerWaalsContact C-N 3.27Å; P56-Y58 PolarHBondContact O-N 2.78Å; Y58-N62 WeakPolarHBondContact CD2-ND2 3.19Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.43Å; Y58-N62 VanDerWaalsContact CZ-ND2 3.35Å; Y58-N62 WeakPolarHBondContact O-CB 3.1Å; Y58-N62 PolarHBondContact O-N 3.41Å; Y58-N62 PolarHBondContact O-ND2 3.47Å; Y58-W166 AromaticContact CD2-CH2 3.6Å; Y58-W166 HydrophobicContact CD2-CH2 3.6Å; Y58-W166 HydrophobicContact CD2-CZ2 4.15Å; Y58-W166 AromaticContact CD2-CZ3 3.91Å; Y58-W166 HydrophobicContact CD2-CZ3 3.91Å; Y58-W166 HydrophobicContact CE2-CE3 4.28Å; Y58-W166 AromaticContact CE2-CH2 3.97Å; Y58-W166 HydrophobicContact CE2-CH2 3.97Å; Y58-W166 HydrophobicContact CE2-CZ2 4.42Å; Y58-W166 AromaticContact CE2-CZ3 3.87Å; Y58-W166 HydrophobicContact CE2-CZ3 3.87Å
59W98.4Very high97.8Very high43 Ų4364 Ų6416%0.16333%0.325CS..Hα-helixtrans-67.4-42-177.5-62.5111.8000112.3V33 T44 P46 I51 E54 P56 T63V33-W59 HydrophobicContact CG1-CH2 4.21Å; V33-W59 HydrophobicContact CG1-CZ3 3.92Å; T44-W59 HydrophobicContact CG2-CE3 4.02Å; T44-W59 HydrophobicContact CG2-CZ3 3.89Å; P46-W59 HydrophobicContact CB-CH2 3.7Å; P46-W59 HydrophobicContact CB-CZ2 4.15Å; P46-W59 HydrophobicContact CB-CZ3 4.49Å; P46-W59 HydrophobicContact CG-CH2 4.35Å; I51-W59 HydrophobicContact CB-CH2 4.42Å; I51-W59 HydrophobicContact CG1-CH2 3.78Å; I51-W59 HydrophobicContact CG1-CZ2 4.12Å; I51-W59 HydrophobicContact CG2-CH2 3.89Å; I51-W59 HydrophobicContact CG2-CZ2 4.37Å; I51-W59 WeakPolarHBondContact O-CZ2 3.36Å; E54-W59 PolarHBondContact O-NE1 2.92Å; P56-W59 PolarHBondContact O-N 2.66Å; P56-W59 VanDerWaalsContact O-N 3.17Å; W59-T63 WeakPolarHBondContact O-CB 3.37Å; W59-T63 PolarHBondContact O-N 3.48Å; W59-T63 PolarHBondContact O-OG1 3.33Å
60D98.3Very high97.8Very high100 Ų10059.7 Ų59.754%0.53530%0.297SS..Hα-helixtrans-67.2-45.2178.3-74.7-20.2000111.2P56 T63 Q64P56-D60 WeakPolarHBondContact O-CB 3.39Å; P56-D60 PolarHBondContact O-N 2.83Å; D60-T63 PolarHBondContact O-N 3.35Å; D60-Q64 PolarHBondContact O-N 2.85Å
61R97.8Very high97.8Very high142 Ų14263.5 Ų63.554%0.53632%0.315SS..Hα-helixtrans-59.8-51.4176.6-179.8-178173.2-173.5-1.4111.6E57 T63 Q64 I65E57-R61 WeakPolarHBondContact O-CB 3.4Å; E57-R61 PolarHBondContact O-N 3.29Å; R61-T63 VanDerWaalsContact C-N 3.34Å; R61-T63 PolarHBondContact O-N 3.04Å; R61-Q64 PolarHBondContact O-N 2.85Å; R61-I65 HydrophobicContact CG-CD1 4.03Å; R61-I65 WeakPolarHBondContact O-CG1 3.27Å; R61-I65 PolarHBondContact O-N 3.23Å
62N97.8Very high97.7Very high22 Ų2266.3 Ų66.312%0.11833%0.332CS..Hα-helixtrans-66.1-37.7-179-77.7-70.9000111.9T44 Y58 Q64 I65 F66T44-N62 HydrophobicContact CG2-CB 4.3Å; T44-N62 VanDerWaalsContact OG1-C 3.29Å; Y58-N62 WeakPolarHBondContact CD2-ND2 3.19Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.43Å; Y58-N62 VanDerWaalsContact CZ-ND2 3.35Å; Y58-N62 WeakPolarHBondContact O-CB 3.1Å; Y58-N62 PolarHBondContact O-N 3.41Å; Y58-N62 PolarHBondContact O-ND2 3.47Å; N62-Q64 VanDerWaalsContact C-N 3.3Å; N62-Q64 PolarHBondContact O-N 3.04Å; N62-I65 PolarHBondContact O-N 3.07Å; N62-F66 HydrophobicContact CB-CE2 4.25Å; N62-F66 WeakPolarHBondContact O-CD2 3.47Å; N62-F66 PolarHBondContact O-N 2.77Å
63T98.6Very high97.6Very high11 Ų1160.9 Ų60.97%0.06731%0.307CS..Hα-helixtrans-59.6-43.6173.7-65.70000111.2R43 T44 W59 D60 R61 F66 K67R43-T63 HydrophobicContact CB-CG2 4.39Å; R43-T63 HydrophobicContact CG-CG2 4.19Å; T44-T63 PolarHBondContact N-OG1 3.31Å; T44-T63 WeakPolarHBondContact OG1-CA 3.41Å; T44-T63 PolarHBondContact OG1-N 3.2Å; T44-T63 VanDerWaalsContact OG1-N 3.09Å; T44-T63 PolarHBondContact OG1-OG1 3.18Å; W59-T63 WeakPolarHBondContact O-CB 3.37Å; W59-T63 PolarHBondContact O-N 3.48Å; W59-T63 PolarHBondContact O-OG1 3.33Å; D60-T63 PolarHBondContact O-N 3.35Å; R61-T63 VanDerWaalsContact C-N 3.34Å; R61-T63 PolarHBondContact O-N 3.04Å; T63-F66 PolarHBondContact O-N 3.18Å; T63-K67 HydrophobicContact CG2-CD 4.19Å; T63-K67 WeakPolarHBondContact O-CB 3.3Å; T63-K67 WeakPolarHBondContact O-CG 3.33Å; T63-K67 PolarHBondContact O-N 3.11Å
64Q98.4Very high97.7Very high114 Ų11457.3 Ų57.353%0.53329%0.288SS..Hα-helixtrans-66.2-39.9177.5-171.258.228.900111.8D60 R61 N62 K67 T68D60-Q64 PolarHBondContact O-N 2.85Å; R61-Q64 PolarHBondContact O-N 2.85Å; N62-Q64 VanDerWaalsContact C-N 3.3Å; N62-Q64 PolarHBondContact O-N 3.04Å; Q64-K67 PolarHBondContact O-N 2.85Å; Q64-T68 PolarHBondContact O-N 3.43Å; Q64-T68 PolarHBondContact O-OG1 3.49Å; Q64-T68 VanDerWaalsContact O-OG1 3.1Å
65I97.7Very high97.7Very high62 Ų6262.1 Ų62.132%0.31831%0.31SS..Hα-helixtrans-58.2-49.6174.4-69.9166.2000110.7R61 N62 K67 T68 N69R61-I65 HydrophobicContact CG-CD1 4.03Å; R61-I65 WeakPolarHBondContact O-CG1 3.27Å; R61-I65 PolarHBondContact O-N 3.23Å; N62-I65 PolarHBondContact O-N 3.07Å; I65-K67 VanDerWaalsContact C-N 3.34Å; I65-K67 PolarHBondContact O-N 3.44Å; I65-T68 PolarHBondContact O-N 2.88Å; I65-N69 PolarHBondContact O-N 2.85Å
66F98.3Very high97.6Very high3 Ų362.1 Ų62.11%0.01330%0.304CS..Hα-helixtrans-67.6-32.5179.6-64.6-48.8000113.4Y6 Y8 F21 A23 F35 T44 N62 T63 N69 T70Y6-F66 HydrophobicContact CD1-CZ 4.47Å; Y6-F66 HydrophobicContact CE1-CZ 4.31Å; Y8-F66 HydrophobicContact CE1-CD1 4.2Å; Y8-F66 AromaticContact CE1-CE1 3.58Å; Y8-F66 HydrophobicContact CE1-CE1 3.58Å; Y8-F66 AromaticContact CZ-CE1 3.69Å; Y8-F66 VanDerWaalsContact OH-CE1 3.28Å; Y8-F66 WeakPolarHBondContact OH-CE1 3.4Å; F21-F66 HydrophobicContact CE1-CB 4.22Å; F21-F66 HydrophobicContact CE1-CD1 4.22Å; A23-F66 HydrophobicContact CB-CD1 3.65Å; A23-F66 HydrophobicContact CB-CE1 3.55Å; A23-F66 HydrophobicContact CB-CG 4.35Å; A23-F66 HydrophobicContact CB-CZ 4.2Å; F35-F66 HydrophobicContact CB-CB 4.07Å; F35-F66 HydrophobicContact CB-CD2 3.57Å; F35-F66 HydrophobicContact CB-CE2 4.15Å; F35-F66 HydrophobicContact CB-CG 3.85Å; F35-F66 HydrophobicContact CD1-CB 3.72Å; F35-F66 HydrophobicContact CD1-CG 4.36Å; F35-F66 HydrophobicContact CD2-CB 3.56Å; F35-F66 AromaticContact CD2-CD2 3.91Å; F35-F66 HydrophobicContact CD2-CD2 3.91Å; F35-F66 HydrophobicContact CD2-CG 4.12Å; F35-F66 HydrophobicContact CE1-CB 3.98Å; F35-F66 HydrophobicContact CE2-CB 3.84Å; F35-F66 HydrophobicContact CG-CB 3.5Å; F35-F66 AromaticContact CG-CD2 3.87Å; F35-F66 HydrophobicContact CG-CD2 3.87Å; F35-F66 AromaticContact CG-CG 3.87Å; F35-F66 HydrophobicContact CG-CG 3.87Å; F35-F66 HydrophobicContact CZ-CB 4.04Å; T44-F66 HydrophobicContact CG2-CD2 4.29Å; T44-F66 HydrophobicContact CG2-CE2 3.69Å; T44-F66 WeakPolarHBondContact OG1-CD2 3.39Å; T44-F66 WeakPolarHBondContact OG1-CE2 3.48Å; N62-F66 HydrophobicContact CB-CE2 4.25Å; N62-F66 WeakPolarHBondContact O-CD2 3.47Å; N62-F66 PolarHBondContact O-N 2.77Å; T63-F66 PolarHBondContact O-N 3.18Å; F66-N69 PolarHBondContact O-N 2.83Å; F66-T70 PolarHBondContact O-N 3.43Å; F66-T70 PolarHBondContact O-OG1 3.21Å
67K98.1Very high97.7Very high89 Ų8958.5 Ų58.539%0.38728%0.28SS..Hα-helixtrans-65.2-42.1171.8-77.1179176.8-179.30112F35 P42 T63 Q64 I65 T70 Q71F35-K67 HydrophobicContact CE2-CG 4.22Å; F35-K67 HydrophobicContact CZ-CG 4.02Å; P42-K67 VanDerWaalsContact O-CE 3.27Å; P42-K67 WeakPolarHBondContact O-CE 2.98Å; T63-K67 HydrophobicContact CG2-CD 4.19Å; T63-K67 WeakPolarHBondContact O-CB 3.3Å; T63-K67 WeakPolarHBondContact O-CG 3.33Å; T63-K67 PolarHBondContact O-N 3.11Å; Q64-K67 PolarHBondContact O-N 2.85Å; I65-K67 VanDerWaalsContact C-N 3.34Å; I65-K67 PolarHBondContact O-N 3.44Å; K67-T70 WeakPolarHBondContact O-CB 3.49Å; K67-T70 PolarHBondContact O-N 2.98Å; K67-Q71 PolarHBondContact O-N 3.42Å
68T98Very high97.6Very high73 Ų7358.2 Ų58.245%0.44827%0.273SS..Hα-helixtrans-62-48.3173-60.60000110.6Q64 I65 T70 Q71 T72Q64-T68 PolarHBondContact O-N 3.43Å; Q64-T68 PolarHBondContact O-OG1 3.49Å; Q64-T68 VanDerWaalsContact O-OG1 3.1Å; I65-T68 PolarHBondContact O-N 2.88Å; T68-T70 VanDerWaalsContact C-N 3.26Å; T68-T70 PolarHBondContact O-N 3.35Å; T68-Q71 PolarHBondContact O-N 2.88Å; T68-T72 PolarHBondContact O-N 3.31Å; T68-T72 PolarHBondContact O-OG1 2.88Å
69N97.1Very high97.6Very high33 Ų3358.8 Ų58.818%0.17628%0.276CS..Hα-helixtrans-59.6-35.5177.4-74-20.8000112.5Y8 F21 I65 F66 Q71 T72 Y73Y8-N69 WeakPolarHBondContact CE2-ND2 3.31Å; F21-N69 HydrophobicContact CE1-CB 4.32Å; F21-N69 HydrophobicContact CE2-CB 4.16Å; F21-N69 HydrophobicContact CZ-CB 3.75Å; I65-N69 PolarHBondContact O-N 2.85Å; F66-N69 PolarHBondContact O-N 2.83Å; N69-Q71 PolarHBondContact O-N 2.96Å; N69-T72 PolarHBondContact O-N 2.83Å; N69-Y73 HydrophobicContact CB-CD2 4.29Å; N69-Y73 HydrophobicContact CB-CE2 4.33Å; N69-Y73 WeakPolarHBondContact O-CB 3.37Å; N69-Y73 WeakPolarHBondContact O-CD2 3.22Å; N69-Y73 PolarHBondContact O-N 2.93Å
70T97.4Very high97.6Very high14 Ų1456.7 Ų56.79%0.08627%0.268CS..Hα-helixtrans-56.6-39.6174.2-59.60000111.6F21 F66 K67 T68 R74F21-T70 HydrophobicContact CB-CG2 3.92Å; F21-T70 VanDerWaalsContact CD1-OG1 3.29Å; F21-T70 WeakPolarHBondContact CD1-OG1 3.35Å; F66-T70 PolarHBondContact O-N 3.43Å; F66-T70 PolarHBondContact O-OG1 3.21Å; K67-T70 WeakPolarHBondContact O-CB 3.49Å; K67-T70 PolarHBondContact O-N 2.98Å; T68-T70 VanDerWaalsContact C-N 3.26Å; T68-T70 PolarHBondContact O-N 3.35Å; T70-R74 WeakPolarHBondContact O-CB 2.93Å; T70-R74 PolarHBondContact O-N 2.86Å
71Q97.5Very high97.5Very high99 Ų9953.3 Ų53.346%0.46325%0.25SS..Hα-helixtrans-75.8-43.8176.9-57.6-53.7-38.200111.9K67 T68 N69 Y73 R74 E75K67-Q71 PolarHBondContact O-N 3.42Å; T68-Q71 PolarHBondContact O-N 2.88Å; N69-Q71 PolarHBondContact O-N 2.96Å; Q71-Y73 VanDerWaalsContact C-N 3.32Å; Q71-Y73 PolarHBondContact O-N 3.38Å; Q71-R74 WeakPolarHBondContact O-CB 3.36Å; Q71-R74 PolarHBondContact O-N 3.39Å; Q71-E75 PolarHBondContact O-N 3.03Å
72T96.9Very high97.5Very high59 Ų5954.7 Ų54.736%0.36226%0.255SS..Hα-helixtrans-57.8-44.6177-57.60000111.6T68 N69 R74 E75 N76T68-T72 PolarHBondContact O-N 3.31Å; T68-T72 PolarHBondContact O-OG1 2.88Å; N69-T72 PolarHBondContact O-N 2.83Å; T72-R74 VanDerWaalsContact C-N 3.35Å; T72-R74 PolarHBondContact O-N 3.06Å; T72-E75 WeakPolarHBondContact O-CB 3.47Å; T72-E75 PolarHBondContact O-N 3.48Å; T72-N76 VanDerWaalsContact O-CG 3.24Å; T72-N76 PolarHBondContact O-N 3.11Å; T72-N76 PolarHBondContact O-OD1 3.33Å
73Y95.9Very high97.5Very high12 Ų1255.9 Ų55.95%0.04726%0.258CS..Hα-helixtrans-73.5-30.2-176.9-79.3-123.6000111.9Y8 A10 F21 N69 Q71 E75 N76 L77 W94 T96Y8-Y73 HydrophobicContact CD2-CE1 4.31Å; Y8-Y73 HydrophobicContact CD2-CE2 4.32Å; Y8-Y73 AromaticContact CD2-CZ 3.78Å; Y8-Y73 WeakPolarHBondContact CD2-OH 3.14Å; A10-Y73 HydrophobicContact CB-CD1 3.95Å; A10-Y73 HydrophobicContact CB-CG 4.29Å; F21-Y73 HydrophobicContact CD2-CD1 4.32Å; F21-Y73 HydrophobicContact CD2-CG 4.18Å; F21-Y73 AromaticContact CE2-CD1 3.99Å; F21-Y73 HydrophobicContact CE2-CD1 3.99Å; F21-Y73 HydrophobicContact CE2-CD2 4.19Å; F21-Y73 HydrophobicContact CE2-CE1 4.32Å; F21-Y73 AromaticContact CE2-CG 3.94Å; F21-Y73 HydrophobicContact CE2-CG 3.94Å; N69-Y73 HydrophobicContact CB-CD2 4.29Å; N69-Y73 HydrophobicContact CB-CE2 4.33Å; N69-Y73 WeakPolarHBondContact O-CB 3.37Å; N69-Y73 WeakPolarHBondContact O-CD2 3.22Å; N69-Y73 PolarHBondContact O-N 2.93Å; Q71-Y73 VanDerWaalsContact C-N 3.32Å; Q71-Y73 PolarHBondContact O-N 3.38Å; Y73-E75 VanDerWaalsContact C-N 3.34Å; Y73-N76 PolarHBondContact O-N 2.98Å; Y73-L77 WeakPolarHBondContact O-CG 3.39Å; Y73-L77 PolarHBondContact O-N 2.85Å; Y73-W94 AromaticContact CD1-CD1 3.3Å; Y73-W94 HydrophobicContact CD1-CG 4.2Å; Y73-W94 AromaticContact CD1-NE1 3.91Å; Y73-W94 AromaticContact CE1-CD1 3.34Å; Y73-W94 AromaticContact CE1-NE1 3.66Å; Y73-T96 VanDerWaalsContact CE1-OG1 3.26Å; Y73-T96 WeakPolarHBondContact CE1-OG1 3.38Å; Y73-T96 WeakPolarHBondContact OH-CB 3.24Å; Y73-T96 WeakPolarHBondContact OH-CG2 3.27Å; Y73-T96 PolarHBondContact OH-OG1 3.15Å
74R96.9Very high97.4Very high44 Ų4458.5 Ų58.517%0.16627%0.268CS..Hα-helixtrans-61.8-42.7168.4177.4-173.9-61.6169.91.6111.4E18 P19 T70 Q71 T72 R78E18-R74 VanDerWaalsContact CB-NH2 3.29Å; E18-R74 VanDerWaalsContact CD-CZ 3.5Å; E18-R74 IonicContact OE1-NH1 3.97Å; E18-R74 WeakPolarHBondContact OE2-CD 3.45Å; E18-R74 IonicContact OE2-CZ 2.78Å; E18-R74 IonicContact OE2-NE 3.74Å; E18-R74 PolarHBondContact OE2-NE 3.17Å; E18-R74 IonicContact OE2-NH1 2.66Å; P19-R74 HydrophobicContact CG-CB 4.46Å; P19-R74 HydrophobicContact CG-CG 4.14Å; T70-R74 WeakPolarHBondContact O-CB 2.93Å; T70-R74 PolarHBondContact O-N 2.86Å; Q71-R74 WeakPolarHBondContact O-CB 3.36Å; Q71-R74 PolarHBondContact O-N 3.39Å; T72-R74 VanDerWaalsContact C-N 3.35Å; T72-R74 PolarHBondContact O-N 3.06Å; R74-R78 WeakPolarHBondContact O-CG 3.21Å; R74-R78 PolarHBondContact O-N 2.81Å
75E97.3Very high97.4Very high115 Ų11560.3 Ų60.354%0.53728%0.281SS..Hα-helixtrans-66.8-42.5174.9-173.2171.8-174.400111.7Q71 T72 Y73 L77 R78 I79Q71-E75 PolarHBondContact O-N 3.03Å; T72-E75 WeakPolarHBondContact O-CB 3.47Å; T72-E75 PolarHBondContact O-N 3.48Å; Y73-E75 VanDerWaalsContact C-N 3.34Å; E75-L77 VanDerWaalsContact C-N 3.31Å; E75-L77 PolarHBondContact O-N 3.45Å; E75-R78 WeakPolarHBondContact O-CB 3.46Å; E75-R78 PolarHBondContact O-N 3.29Å; E75-I79 HydrophobicContact CG-CD1 3.91Å; E75-I79 HydrophobicContact CG-CG1 4.38Å; E75-I79 WeakPolarHBondContact O-CG1 3.21Å; E75-I79 PolarHBondContact O-N 2.81Å
76N97Very high97.4Very high31 Ų3160.5 Ų60.517%0.16628%0.28CS..Hα-helixtrans-57-43.6176.1-68.7-13.2000111.8T72 Y73 R78 I79 A80 W94T72-N76 VanDerWaalsContact O-CG 3.24Å; T72-N76 PolarHBondContact O-N 3.11Å; T72-N76 PolarHBondContact O-OD1 3.33Å; Y73-N76 PolarHBondContact O-N 2.98Å; N76-R78 VanDerWaalsContact C-N 3.34Å; N76-R78 PolarHBondContact O-N 2.86Å; N76-I79 PolarHBondContact O-N 3.24Å; N76-A80 WeakPolarHBondContact O-CB 3.43Å; N76-A80 PolarHBondContact O-N 2.87Å; N76-W94 HydrophobicContact CB-CD2 4.02Å; N76-W94 HydrophobicContact CB-CE3 4.18Å; N76-W94 HydrophobicContact CB-CH2 4.39Å; N76-W94 HydrophobicContact CB-CZ2 4.24Å; N76-W94 HydrophobicContact CB-CZ3 4.37Å
77L98.1Very high97.2Very high6 Ų664 Ų643%0.03131%0.306CS..Hα-helixtrans-59.1-42.6174.8-75.5166000112A10 P19 Y73 E75 A80 L81 H92 W94 Y117A10-L77 HydrophobicContact CB-CD1 4Å; P19-L77 HydrophobicContact CB-CD1 3.63Å; P19-L77 HydrophobicContact CG-CD1 3.79Å; Y73-L77 WeakPolarHBondContact O-CG 3.39Å; Y73-L77 PolarHBondContact O-N 2.85Å; E75-L77 VanDerWaalsContact C-N 3.31Å; E75-L77 PolarHBondContact O-N 3.45Å; L77-A80 PolarHBondContact O-N 3.16Å; L77-L81 WeakPolarHBondContact O-CG 3.42Å; L77-L81 PolarHBondContact O-N 3.12Å; L77-L81 VanDerWaalsContact O-N 3.11Å; L77-H92 HydrophobicContact CD2-CB 4.15Å; L77-W94 HydrophobicContact CD2-CB 3.81Å; L77-W94 HydrophobicContact CG-CB 4.13Å; L77-Y117 HydrophobicContact CD2-CE2 4.13Å
78R97.1Very high97Very high134 Ų13467.7 Ų67.751%0.50632%0.324SS..Hα-helixtrans-67.5-36.1176.5-66.3173.6-175.8167.60.7112.4E18 R74 E75 N76E18-R78 IonicContact OE1-NH2 2.94Å; E18-R78 IonicContact OE2-NH2 3.98Å; R74-R78 WeakPolarHBondContact O-CG 3.21Å; R74-R78 PolarHBondContact O-N 2.81Å; E75-R78 WeakPolarHBondContact O-CB 3.46Å; E75-R78 PolarHBondContact O-N 3.29Å; N76-R78 VanDerWaalsContact C-N 3.34Å; N76-R78 PolarHBondContact O-N 2.86Å
79I97.1Very high96.9Very high28 Ų2868 Ų6814%0.14433%0.334CS..Hα-helixtrans-66.8-46.2175.1-70.4167.5000110.3E75 N76 L81 R82 Y83E75-I79 HydrophobicContact CG-CD1 3.91Å; E75-I79 HydrophobicContact CG-CG1 4.38Å; E75-I79 WeakPolarHBondContact O-CG1 3.21Å; E75-I79 PolarHBondContact O-N 2.81Å; N76-I79 PolarHBondContact O-N 3.24Å; I79-L81 VanDerWaalsContact C-N 3.35Å; I79-L81 PolarHBondContact O-N 2.97Å; I79-R82 WeakPolarHBondContact O-CB 3.46Å; I79-R82 PolarHBondContact O-N 3.33Å; I79-Y83 HydrophobicContact CG2-CD1 4.12Å; I79-Y83 HydrophobicContact CG2-CD2 3.93Å; I79-Y83 HydrophobicContact CG2-CE1 3.66Å; I79-Y83 HydrophobicContact CG2-CE2 3.45Å; I79-Y83 VanDerWaalsContact CG2-CE2 3.45Å; I79-Y83 HydrophobicContact CG2-CG 4.24Å; I79-Y83 PolarHBondContact O-N 3.17Å
80A97.3Very high96.8Very high0 Ų067.7 Ų67.70%034%0.338CS..Hα-helixtrans-59-45.1-179.700000111.5N76 L77 R82 Y83 Y84 W94 Y117N76-A80 WeakPolarHBondContact O-CB 3.43Å; N76-A80 PolarHBondContact O-N 2.87Å; L77-A80 PolarHBondContact O-N 3.16Å; A80-R82 PolarHBondContact O-N 3.46Å; A80-Y83 PolarHBondContact O-N 3.21Å; A80-Y83 VanDerWaalsContact O-N 3.08Å; A80-Y84 HydrophobicContact CB-CD2 4.48Å; A80-Y84 VanDerWaalsContact O-CD2 3.31Å; A80-Y84 WeakPolarHBondContact O-CD2 3.43Å; A80-Y84 PolarHBondContact O-N 3.05Å; A80-W94 HydrophobicContact CB-CE3 4.35Å; A80-W94 HydrophobicContact CB-CZ3 4.14Å; A80-Y117 HydrophobicContact CB-CD1 4.33Å; A80-Y117 HydrophobicContact CB-CD2 3.96Å; A80-Y117 HydrophobicContact CB-CE1 3.92Å; A80-Y117 HydrophobicContact CB-CE2 3.55Å; A80-Y117 HydrophobicContact CB-CG 4.34Å
81L97.4Very high96.8Very high28 Ų2871.1 Ų71.115%0.14736%0.363CS..Hα-helixtrans-50.6-44.3173.4-75.6175.4000112.4L77 I79 N85 Q86 H92L77-L81 WeakPolarHBondContact O-CG 3.42Å; L77-L81 PolarHBondContact O-N 3.12Å; L77-L81 VanDerWaalsContact O-N 3.11Å; I79-L81 VanDerWaalsContact C-N 3.35Å; I79-L81 PolarHBondContact O-N 2.97Å; L81-N85 WeakPolarHBondContact O-CA 3.17Å; L81-N85 PolarHBondContact O-N 3.49Å; L81-Q86 HydrophobicContact CD2-CB 3.63Å; L81-Q86 PolarHBondContact O-N 2.77Å; L81-H92 WeakPolarHBondContact CD2-CD2 3.19Å; L81-H92 WeakPolarHBondContact CD2-NE2 3.35Å
82R97.4Very high96.8Very high172 Ų17267.1 Ų67.165%0.64935%0.345SS*.Hα-helixtrans-70.2-42.6178.7-67.3-174.4-66.6-165.2-1.9112.3I79 A80 Y84 N85I79-R82 WeakPolarHBondContact O-CB 3.46Å; I79-R82 PolarHBondContact O-N 3.33Å; A80-R82 PolarHBondContact O-N 3.46Å; R82-Y84 VanDerWaalsContact C-N 3.28Å; R82-Y84 PolarHBondContact O-N 3.19Å; R82-N85 PolarHBondContact O-N 2.84Å
83Y97.6Very high96.9Very high46 Ų4666.1 Ų66.118%0.1834%0.338CS..Hα-helixtrans-64.8-34.8-179.7-69.5-5.1000112.4I79 A80 Y122 A138 I141 K145I79-Y83 HydrophobicContact CG2-CD1 4.12Å; I79-Y83 HydrophobicContact CG2-CD2 3.93Å; I79-Y83 HydrophobicContact CG2-CE1 3.66Å; I79-Y83 HydrophobicContact CG2-CE2 3.45Å; I79-Y83 VanDerWaalsContact CG2-CE2 3.45Å; I79-Y83 HydrophobicContact CG2-CG 4.24Å; I79-Y83 PolarHBondContact O-N 3.17Å; A80-Y83 PolarHBondContact O-N 3.21Å; A80-Y83 VanDerWaalsContact O-N 3.08Å; Y83-Y122 WeakPolarHBondContact CD2-OH 3.38Å; Y83-A138 HydrophobicContact CD2-CB 4.33Å; Y83-A138 HydrophobicContact CG-CB 4.48Å; Y83-I141 HydrophobicContact CD1-CD1 4.25Å; Y83-I141 HydrophobicContact CE1-CD1 4.37Å; Y83-I141 HydrophobicContact CE1-CG2 4.02Å; Y83-I141 HydrophobicContact CE2-CB 4.08Å; Y83-I141 HydrophobicContact CE2-CG2 4.07Å; Y83-I141 HydrophobicContact CG-CD1 4.39Å; Y83-I141 WeakPolarHBondContact OH-CG2 3.13Å; Y83-K145 PolarHBondContact OH-NZ 3.39Å
84Y97.7Very high97Very high67 Ų6765.8 Ų65.826%0.26334%0.337SS..THydrogen-bonded Turntrans-96.13.9-179.9-69.1-71000114.1A80 R82 Q86 Y117 Y122 D136 A138A80-Y84 HydrophobicContact CB-CD2 4.48Å; A80-Y84 VanDerWaalsContact O-CD2 3.31Å; A80-Y84 WeakPolarHBondContact O-CD2 3.43Å; A80-Y84 PolarHBondContact O-N 3.05Å; R82-Y84 VanDerWaalsContact C-N 3.28Å; R82-Y84 PolarHBondContact O-N 3.19Å; Y84-Q86 PolarHBondContact O-N 2.8Å; Y84-Y117 AromaticContact CD2-CD1 3.69Å; Y84-Y117 HydrophobicContact CD2-CD1 3.69Å; Y84-Y117 AromaticContact CD2-CE1 3.51Å; Y84-Y117 HydrophobicContact CD2-CE1 3.51Å; Y84-Y117 AromaticContact CE2-CD1 3.48Å; Y84-Y117 HydrophobicContact CE2-CD1 3.48Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.48Å; Y84-Y117 AromaticContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CG 4.4Å; Y84-Y117 HydrophobicContact CG-CE1 4.35Å; Y84-Y122 HydrophobicContact CE2-CD2 4.3Å; Y84-Y122 AromaticContact CE2-CE2 3.96Å; Y84-Y122 HydrophobicContact CE2-CE2 3.96Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.27Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.45Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.17Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.23Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.48Å; Y84-D136 PolarHBondContact OH-OD1 2.77Å; Y84-D136 PolarHBondContact OH-OD2 2.91Å; Y84-A138 HydrophobicContact CD1-CB 4.2Å; Y84-A138 HydrophobicContact CD2-CB 4.41Å; Y84-A138 HydrophobicContact CE1-CB 3.63Å; Y84-A138 HydrophobicContact CE2-CB 3.87Å; Y84-A138 VanDerWaalsContact CZ-CB 3.45Å
85N97.1Very high97.1Very high152 Ų15267.4 Ų67.481%0.81335%0.346SS*.THydrogen-bonded Turntrans52.241-176.9-55.6-64000113.3L81 R82L81-N85 WeakPolarHBondContact O-CA 3.17Å; L81-N85 PolarHBondContact O-N 3.49Å; R82-N85 PolarHBondContact O-N 2.84Å
86Q97.3Very high97.2Very high65 Ų6562.1 Ų62.130%0.30432%0.322SS..  trans-91.6156.1-177.1-71.6166.2-37.700112.2L81 Y84 H92 Y117L81-Q86 HydrophobicContact CD2-CB 3.63Å; L81-Q86 PolarHBondContact O-N 2.77Å; Y84-Q86 PolarHBondContact O-N 2.8Å; Q86-H92 VanDerWaalsContact CD-CE1 3.46Å; Q86-H92 PolarHBondContact NE2-CE1 3.17Å; Q86-Y117 PolarHBondContact OE1-OH 3.33Å
87S95.8Very high97.2Very high78 Ų7861.6 Ų61.655%0.54532%0.319SS..  trans-75.5145.3176.7176.20000111.9A89 G90S87-A89 PolarHBondContact O-N 2.81Å; S87-A89 PolarHBondContact OG-N 3.49Å; S87-A89 VanDerWaalsContact OG-N 3.17Å; S87-G90 PolarHBondContact O-N 3.43Å
88E94.2Very high97.3Very high165 Ų16562.8 Ų62.877%0.77132%0.323SS*.THydrogen-bonded Turntrans-68.1-11.7172.6-61.8-173.6178.300113.8P14 G90P14-E88 WeakPolarHBondContact CB-O 3.33Å; P14-E88 WeakPolarHBondContact CG-O 3.09Å; E88-G90 VanDerWaalsContact C-N 3.29Å
89A94.5Very high97.3Very high80 Ų8056.4 Ų56.466%0.66130%0.299SS*.THydrogen-bonded Turntrans-76.9-17.2177.800000113S87S87-A89 PolarHBondContact O-N 2.81Å; S87-A89 PolarHBondContact OG-N 3.49Å; S87-A89 VanDerWaalsContact OG-N 3.17Å
90G94.5Very high97.4Very high26 Ų2655 Ų5527%0.26829%0.292SS..SBendtrans-77.9141.1-178.100000113.6S12 P14 S87 E88 H92S12-G90 PolarHBondContact OG-O 2.85Å; P14-G90 WeakPolarHBondContact CG-O 3.41Å; S87-G90 PolarHBondContact O-N 3.43Å; E88-G90 VanDerWaalsContact C-N 3.29Å; G90-H92 PolarHBondContact O-CD2 2.94Å
91S97.4Very high97.5Very high86 Ų8656.5 Ų56.560%0.60130%0.3SS*.  trans-83.6127.2165.9-177.30000108.7S12S12-S91 PolarHBondContact O-OG 2.83Å
92H98.4Very high97.6Very high16 Ų1655.2 Ų55.27%0.07429%0.293CS..  trans-130.9153-174.9-65.5-78.1000111M11 S12 L77 L81 Q86 G90 Y117 D118M11-H92 WeakPolarHBondContact CA-O 3.45Å; S12-H92 PolarHBondContact N-O 2.85Å; S12-H92 PolarHBondContact OG-N 2.85Å; S12-H92 PolarHBondContact OG-O 3.35Å; L77-H92 HydrophobicContact CD2-CB 4.15Å; L81-H92 WeakPolarHBondContact CD2-CD2 3.19Å; L81-H92 WeakPolarHBondContact CD2-NE2 3.35Å; Q86-H92 VanDerWaalsContact CD-CE1 3.46Å; Q86-H92 PolarHBondContact NE2-CE1 3.17Å; G90-H92 PolarHBondContact O-CD2 2.94Å; H92-Y117 HydrophobicContact CB-CE2 3.92Å; H92-Y117 VanDerWaalsContact CG-OH 3.24Å; H92-Y117 AromaticContact ND1-CZ 3.84Å; H92-Y117 PolarHBondContact ND1-OH 2.89Å; H92-D118 WeakPolarHBondContact CA-OD1 3.1Å; H92-D118 WeakPolarHBondContact CB-OD1 3.43Å; H92-D118 IonicContact CE1-OD2 2.79Å; H92-D118 IonicContact CG-OD1 2.78Å; H92-D118 IonicContact CG-OD2 2.8Å; H92-D118 IonicContact ND1-OD1 3.24Å; H92-D118 PolarHBondContact ND1-OD1 2.99Å; H92-D118 IonicContact ND1-OD2 3.54Å; H92-D118 PolarHBondContact ND1-OD2 3.09Å
93T98.6Very high97.6Very high37 Ų3747.2 Ų47.223%0.22726%0.264CS..EExtended strand (participates in β ladder)trans-124.3131.7-175.7-58.60000110.7T9 A10 M11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 4Å; A10-T93 CarbonylContact O-C 3.5Å; A10-T93 WeakPolarHBondContact O-CA 3.38Å; M11-T93 HydrophobicContact CG-CG2 4.36Å; T93-Q95 HydrophobicContact CG2-CG 3.87Å; T93-Y117 CarbonylContact O-C 3.53Å; T93-Y117 WeakPolarHBondContact O-CA 3.5Å; T93-Y117 VanDerWaalsContact O-CD2 3.27Å; T93-Y117 WeakPolarHBondContact O-CD2 3.41Å; T93-D118 PolarHBondContact N-OD1 3.04Å; T93-D118 PolarHBondContact O-N 3.24Å
94W98.6Very high97.5Very high6 Ų651.1 Ų51.12%0.02330%0.295CS..EExtended strand (participates in β ladder)trans-117.3123.4171.2-174.5-75.1000108.9A10 Y73 N76 L77 A80 Y115 Y117 Y122A10-W94 HydrophobicContact CB-CB 4.39Å; A10-W94 PolarHBondContact N-O 3.27Å; A10-W94 PolarHBondContact O-N 2.83Å; Y73-W94 AromaticContact CD1-CD1 3.3Å; Y73-W94 HydrophobicContact CD1-CG 4.2Å; Y73-W94 AromaticContact CD1-NE1 3.91Å; Y73-W94 AromaticContact CE1-CD1 3.34Å; Y73-W94 AromaticContact CE1-NE1 3.66Å; N76-W94 HydrophobicContact CB-CD2 4.02Å; N76-W94 HydrophobicContact CB-CE3 4.18Å; N76-W94 HydrophobicContact CB-CH2 4.39Å; N76-W94 HydrophobicContact CB-CZ2 4.24Å; N76-W94 HydrophobicContact CB-CZ3 4.37Å; L77-W94 HydrophobicContact CD2-CB 3.81Å; L77-W94 HydrophobicContact CG-CB 4.13Å; A80-W94 HydrophobicContact CB-CE3 4.35Å; A80-W94 HydrophobicContact CB-CZ3 4.14Å; W94-Y115 AromaticContact CE2-CD1 3.97Å; W94-Y115 AromaticContact CZ2-CD1 3.86Å; W94-Y115 HydrophobicContact CZ2-CD1 3.86Å; W94-Y115 HydrophobicContact CZ2-CG 4.31Å; W94-Y115 AromaticContact NE1-CD1 3.54Å; W94-Y117 AromaticContact CE3-CD2 3.83Å; W94-Y117 HydrophobicContact CE3-CD2 3.83Å; W94-Y117 HydrophobicContact CE3-CG 4.44Å; W94-Y117 HydrophobicContact CZ3-CD2 4.43Å; W94-Y122 AromaticContact CH2-CD1 3.68Å; W94-Y122 HydrophobicContact CH2-CD1 3.68Å; W94-Y122 AromaticContact CH2-CE1 3.57Å; W94-Y122 HydrophobicContact CH2-CE1 3.57Å; W94-Y122 HydrophobicContact CH2-CG 4.39Å; W94-Y122 HydrophobicContact CZ2-CD1 4.34Å; W94-Y122 HydrophobicContact CZ2-CE1 4.48Å; W94-Y122 HydrophobicContact CZ3-CD1 4.32Å; W94-Y122 HydrophobicContact CZ3-CE1 4.26Å
95Q98.8Very high97.4Very high77 Ų7752.6 Ų52.636%0.3631%0.308SS..EExtended strand (participates in β ladder)trans-120150-177.9-73.1168.8-80.900111.1Y8 T9 T93 Y115 A116Y8-Q95 CarbonylContact O-C 3.58Å; Y8-Q95 VanDerWaalsContact O-CA 3.27Å; Y8-Q95 WeakPolarHBondContact O-CA 3.26Å; T9-Q95 HydrophobicContact CG2-CG 4.12Å; T93-Q95 HydrophobicContact CG2-CG 3.87Å; Q95-Y115 VanDerWaalsContact O-CA 3.3Å; Q95-Y115 WeakPolarHBondContact O-CA 3.3Å; Q95-A116 HydrophobicContact CB-CB 4.24Å; Q95-A116 PolarHBondContact N-O 2.93Å; Q95-A116 PolarHBondContact O-N 3.1Å
96T98.6Very high97.4Very high5 Ų545.9 Ų45.93%0.03127%0.274CS..EExtended strand (participates in β ladder)trans-143136.8175.4-54.90000110.1F7 Y8 Y73 Y98 Q114 Y115F7-T96 WeakPolarHBondContact CA-O 3.17Å; Y8-T96 PolarHBondContact N-O 2.95Å; Y8-T96 PolarHBondContact O-N 3.3Å; Y73-T96 VanDerWaalsContact CE1-OG1 3.26Å; Y73-T96 WeakPolarHBondContact CE1-OG1 3.38Å; Y73-T96 WeakPolarHBondContact OH-CB 3.24Å; Y73-T96 WeakPolarHBondContact OH-CG2 3.27Å; Y73-T96 PolarHBondContact OH-OG1 3.15Å; T96-Y98 HydrophobicContact CG2-CD1 4.25Å; T96-Q114 WeakPolarHBondContact CA-O 3.35Å; T96-Y115 HydrophobicContact CG2-CD1 3.75Å; T96-Y115 HydrophobicContact CG2-CE1 3.43Å; T96-Y115 VanDerWaalsContact CG2-CE1 3.43Å; T96-Y115 HydrophobicContact CG2-CG 4.41Å; T96-Y115 WeakPolarHBondContact OG1-CD1 3.38Å; T96-Y115 VanDerWaalsContact OG1-CE1 3.24Å; T96-Y115 WeakPolarHBondContact OG1-CE1 3.42Å
97M98.7Very high97.4Very high20 Ų2051 Ų5110%0.09929%0.29CS..EExtended strand (participates in β ladder)trans-125.9128.3168.9-173.4-77.6-68.100108.2R5 Y6 F7 H112 N113 Q114R5-M97 PolarHBondContact NH1-SD 2.74Å; Y6-M97 WeakPolarHBondContact O-CA 3.43Å; F7-M97 HydrophobicContact CD1-CB 4.06Å; F7-M97 HydrophobicContact CD1-CG 3.66Å; F7-M97 HydrophobicContact CE1-CB 4.2Å; F7-M97 HydrophobicContact CE1-CG 3.38Å; F7-M97 HydrophobicContact CZ-CG 4.06Å; M97-H112 HydrophobicContact CE-CB 3.88Å; M97-H112 HydrophobicContact SD-CB 4.09Å; M97-N113 WeakPolarHBondContact O-CA 3.04Å; M97-Q114 HydrophobicContact CB-CG 4.13Å; M97-Q114 VanDerWaalsContact CE-CD 3.48Å; M97-Q114 HydrophobicContact CE-CG 3.95Å; M97-Q114 PolarHBondContact N-O 3.23Å; M97-Q114 PolarHBondContact O-N 3.43Å
98Y98.8Very high97.5Very high30 Ų3049.7 Ų49.712%0.11828%0.277CS..EExtended strand (participates in β ladder)trans-146.4159.5171.372.7-88.1000110.9R5 Y6 Y8 T96 H112 N113 Y158R5-Y98 WeakPolarHBondContact CA-O 3.1Å; Y6-Y98 AromaticContact CD2-CE2 3.76Å; Y6-Y98 HydrophobicContact CD2-CE2 3.76Å; Y6-Y98 AromaticContact CD2-CZ 3.79Å; Y6-Y98 HydrophobicContact CG-CE1 4.34Å; Y6-Y98 HydrophobicContact CG-CE2 4.29Å; Y6-Y98 AromaticContact CG-CZ 3.86Å; Y6-Y98 PolarHBondContact N-O 2.75Å; Y6-Y98 PolarHBondContact O-N 3.14Å; Y8-Y98 HydrophobicContact CD2-CE1 4.27Å; Y8-Y98 HydrophobicContact CE1-CE1 4.22Å; Y8-Y98 HydrophobicContact CE2-CD1 4.49Å; Y8-Y98 AromaticContact CE2-CE1 3.53Å; Y8-Y98 HydrophobicContact CE2-CE1 3.53Å; Y8-Y98 AromaticContact CZ-CE1 3.49Å; Y8-Y98 VanDerWaalsContact CZ-CE1 3.49Å; Y8-Y98 AromaticContact CZ-CZ 3.94Å; Y8-Y98 PolarHBondContact OH-OH 3.49Å; T96-Y98 HydrophobicContact CG2-CD1 4.25Å; Y98-H112 CarbonylContact C-O 3.42Å; Y98-H112 WeakPolarHBondContact CA-O 3.33Å; Y98-H112 VanDerWaalsContact CB-O 3.22Å; Y98-H112 WeakPolarHBondContact CB-O 3.43Å; Y98-N113 WeakPolarHBondContact CB-ND2 3.33Å; Y98-Y158 AromaticContact CD2-CE1 3.77Å; Y98-Y158 HydrophobicContact CD2-CE1 3.77Å; Y98-Y158 AromaticContact CE2-CE1 3.58Å; Y98-Y158 HydrophobicContact CE2-CE1 3.58Å; Y98-Y158 AromaticContact CE2-CZ 3.85Å
99G98.8Very high97.7Very high0 Ų047.5 Ų47.50%027%0.27CS..EExtended strand (participates in β ladder)trans156.1-173-179.200000113.4M4 H112 L159M4-G99 CarbonylContact O-C 3.55Å; M4-G99 WeakPolarHBondContact O-CA 3.38Å; G99-H112 PolarHBondContact N-O 3.29Å; G99-H112 PolarHBondContact O-N 3.05Å; G99-L159 WeakPolarHBondContact O-CD2 3.34Å
100C98.9Very high97.9Very high0 Ų048.6 Ų48.60%026%0.257CS..EExtended strand (participates in β ladder)trans-131.8145.1-172.349.60000110.9S3 M4 L108 R110 C163 V164S3-C100 WeakPolarHBondContact CA-O 3.39Å; M4-C100 PolarHBondContact N-O 2.87Å; M4-C100 PolarHBondContact O-N 3.28Å; C100-L108 HydrophobicContact CB-CD1 3.62Å; C100-R110 WeakPolarHBondContact CA-O 3.28Å; C100-C163 HydrophobicContact CB-CB 3.91Å; C100-C163 WeakPolarHBondContact CB-SG 3.48Å; C100-C163 PolarHBondContact N-SG 3.18Å; C100-C163 WeakPolarHBondContact SG-CB 3.46Å; C100-C163 PolarHBondContact SG-O 2.82Å; C100-C163 CovalentContact SG-SG 2.05Å; C100-C163 PolarHBondContact SG-SG 3.24Å; C100-V164 HydrophobicContact CB-CG2 4.28Å
101D98.8Very high98.1Very high31 Ų3147.5 Ų47.517%0.16625%0.246CC..EExtended strand (participates in β ladder)trans-109.4136.2171.2-55.1-29.6000108.8H2 S3 R5 L109 R110 H112H2-D101 CarbonylContact O-C 3.6Å; H2-D101 WeakPolarHBondContact O-CA 3.41Å; S3-D101 WeakPolarHBondContact CB-OD1 3.39Å; R5-D101 IonicContact CZ-OD1 3.84Å; R5-D101 IonicContact NE-OD1 3.65Å; R5-D101 PolarHBondContact NE-OD1 3.14Å; R5-D101 VanDerWaalsContact NH2-CG 3.35Å; R5-D101 IonicContact NH2-OD1 3.62Å; R5-D101 PolarHBondContact NH2-OD1 3.35Å; R5-D101 IonicContact NH2-OD2 3.87Å; R5-D101 PolarHBondContact NH2-OD2 2.97Å; R5-D101 VanDerWaalsContact NH2-OD2 3.14Å; D101-L109 PolarHBondContact O-N 3.27Å; D101-R110 HydrophobicContact CB-CB 4.46Å; D101-R110 PolarHBondContact N-O 2.96Å; D101-R110 PolarHBondContact O-N 2.87Å; D101-H112 IonicContact OD1-NE2 3.49Å; D101-H112 IonicContact OD2-CD2 2.77Å; D101-H112 IonicContact OD2-CE1 3.16Å; D101-H112 IonicContact OD2-NE2 3.68Å; D101-H112 PolarHBondContact OD2-NE2 2.87Å
102V98.7Very high98.1Very high1 Ų144.4 Ų44.41%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-125.1146.4-180-600000112.5S1 H2 R107 V164 L167S1-V102 WeakPolarHBondContact CA-O 3.41Å; S1-V102 VanDerWaalsContact CB-O 3.3Å; S1-V102 WeakPolarHBondContact CB-O 3.24Å; H2-V102 HydrophobicContact CB-CG2 4.12Å; H2-V102 PolarHBondContact N-O 2.84Å; H2-V102 PolarHBondContact O-N 2.85Å; V102-R107 WeakPolarHBondContact CA-O 3.45Å; V102-R107 WeakPolarHBondContact CB-O 3.32Å; V102-V164 HydrophobicContact CG1-CB 4.45Å; V102-V164 HydrophobicContact CG1-CG1 4.04Å; V102-V164 HydrophobicContact CG1-CG2 3.96Å; V102-L167 HydrophobicContact CB-CD2 4.36Å; V102-L167 HydrophobicContact CG1-CD2 3.95Å; V102-L167 HydrophobicContact CG2-CD2 3.58Å; V102-L167 HydrophobicContact CG2-CG 4.24Å
103G97.9Very high98.1Very high3 Ų343.9 Ų43.93%0.03122%0.219CC..  trans-72.9175.117300000112.3D105 G106 R107G103-D105 PolarHBondContact O-N 3.26Å; G103-G106 WeakPolarHBondContact O-CA 3.13Å; G103-G106 PolarHBondContact O-N 3.28Å; G103-R107 PolarHBondContact N-O 3.38Å
104P96.3Very high98.1Very high129 Ų12945.9 Ų45.984%0.83823%0.226SC*.THydrogen-bonded Turntrans-59.2-26.1172.9-22.934.2000113.8G106P104-G106 PolarHBondContact O-N 3.02Å
105D96.1Very high98.1Very high98 Ų9847 Ų4752%0.52423%0.231SC..THydrogen-bonded Turntrans-79.71.6173.568.2-11.8000113.1G103 R107G103-D105 PolarHBondContact O-N 3.26Å; D105-R107 PolarHBondContact O-N 2.98Å; D105-R107 WeakPolarHBondContact OD1-CB 3.17Å; D105-R107 PolarHBondContact OD1-N 3.46Å; D105-R107 WeakPolarHBondContact OD2-CD 3.45Å; D105-R107 WeakPolarHBondContact OD2-CG 3.1Å; D105-R107 IonicContact OD2-NE 2.86Å
106G95.4Very high98.1Very high10 Ų1044.1 Ų44.110%0.10322%0.22CC..  trans72.63.9-178.200000114.3G103 P104 V164 R168G103-G106 WeakPolarHBondContact O-CA 3.13Å; G103-G106 PolarHBondContact O-N 3.28Å; P104-G106 PolarHBondContact O-N 3.02Å; G106-V164 WeakPolarHBondContact O-CG1 3.35Å; G106-R168 PolarHBondContact O-NE 3.49Å; G106-R168 PolarHBondContact O-NH2 3.06Å
107R97.5Very high98.1Very high172 Ų17244.4 Ų44.465%0.64922%0.22SC*.  trans-77.3149.3179.1-65.4-174-178.1168.2-1.9110.9V102 G103 D105 L109V102-R107 WeakPolarHBondContact CA-O 3.45Å; V102-R107 WeakPolarHBondContact CB-O 3.32Å; G103-R107 PolarHBondContact N-O 3.38Å; D105-R107 PolarHBondContact O-N 2.98Å; D105-R107 WeakPolarHBondContact OD1-CB 3.17Å; D105-R107 PolarHBondContact OD1-N 3.46Å; D105-R107 WeakPolarHBondContact OD2-CD 3.45Å; D105-R107 WeakPolarHBondContact OD2-CG 3.1Å; D105-R107 IonicContact OD2-NE 2.86Å; R107-L109 PolarHBondContact O-N 3.36Å
108L98.4Very high98.1Very high51 Ų5146.5 Ų46.527%0.26723%0.232SC..EExtended strand (participates in β ladder)trans-59.5125.6176-174.671.5000109.7C100 R110 L129 E160 V164C100-L108 HydrophobicContact CB-CD1 3.62Å; L108-R110 WeakPolarHBondContact CD1-O 3.39Å; L108-L129 HydrophobicContact CD2-CD1 4.15Å; L108-E160 HydrophobicContact CD2-CB 4.39Å; L108-E160 HydrophobicContact CD2-CG 3.64Å; L108-V164 HydrophobicContact CB-CG2 4.07Å; L108-V164 HydrophobicContact CD1-CG2 3.81Å
109L98.3Very high98.1Very high120 Ų12047.8 Ų47.863%0.62826%0.255SS*.EExtended strand (participates in β ladder)trans-95.2-44.1168.2-64.6177.8000110.6D101 R107D101-L109 PolarHBondContact O-N 3.27Å; R107-L109 PolarHBondContact O-N 3.36Å
110R97.9Very high98Very high102 Ų10255.3 Ų55.339%0.38529%0.287SS..EExtended strand (participates in β ladder)trans-155.8139.9-176.4-173.7172.2175.4144.18.1111.2C100 D101 L108 H112 E127C100-R110 WeakPolarHBondContact CA-O 3.28Å; D101-R110 HydrophobicContact CB-CB 4.46Å; D101-R110 PolarHBondContact N-O 2.96Å; D101-R110 PolarHBondContact O-N 2.87Å; L108-R110 WeakPolarHBondContact CD1-O 3.39Å; R110-H112 WeakPolarHBondContact CD-CE1 3.2Å; R110-H112 PolarHBondContact NE-CE1 2.89Å; R110-E127 VanDerWaalsContact CZ-CD 3.41Å; R110-E127 VanDerWaalsContact CZ-CG 3.49Å; R110-E127 IonicContact CZ-OE1 2.72Å; R110-E127 IonicContact NE-OE1 3.44Å; R110-E127 VanDerWaalsContact NH1-CD 3.31Å; R110-E127 IonicContact NH1-OE1 3.67Å; R110-E127 PolarHBondContact NH1-OE1 3.44Å; R110-E127 IonicContact NH1-OE2 2.74Å; R110-E127 VanDerWaalsContact NH2-CG 3.29Å; R110-E127 IonicContact NH2-OE1 3.69Å; R110-E127 PolarHBondContact NH2-OE1 2.98Å
111G98.5Very high98Very high3 Ų360.9 Ų60.93%0.03132%0.317CS..EExtended strand (participates in β ladder)trans-104.5150.816700000110.8
112H98.6Very high98Very high21 Ų2159.5 Ų59.510%0.09731%0.31CS..EExtended strand (participates in β ladder)trans-132.2139.2179.4-56.7-94.1000109.7R5 M97 Y98 G99 D101 R110R5-H112 PolarHBondContact NH2-NE2 2.62Å; R5-H112 VanDerWaalsContact NH2-NE2 3.15Å; M97-H112 HydrophobicContact CE-CB 3.88Å; M97-H112 HydrophobicContact SD-CB 4.09Å; Y98-H112 CarbonylContact C-O 3.42Å; Y98-H112 WeakPolarHBondContact CA-O 3.33Å; Y98-H112 VanDerWaalsContact CB-O 3.22Å; Y98-H112 WeakPolarHBondContact CB-O 3.43Å; G99-H112 PolarHBondContact N-O 3.29Å; G99-H112 PolarHBondContact O-N 3.05Å; D101-H112 IonicContact OD1-NE2 3.49Å; D101-H112 IonicContact OD2-CD2 2.77Å; D101-H112 IonicContact OD2-CE1 3.16Å; D101-H112 IonicContact OD2-NE2 3.68Å; D101-H112 PolarHBondContact OD2-NE2 2.87Å; R110-H112 WeakPolarHBondContact CD-CE1 3.2Å; R110-H112 PolarHBondContact NE-CE1 2.89Å
113N98.7Very high98Very high5 Ų559.6 Ų59.63%0.02731%0.31CS..EExtended strand (participates in β ladder)trans-156.6107.7166.1-171.1-75.5000108.6M97 Y98 Y115 L125 L155M97-N113 WeakPolarHBondContact O-CA 3.04Å; Y98-N113 WeakPolarHBondContact CB-ND2 3.33Å; N113-Y115 WeakPolarHBondContact OD1-CE2 3.06Å; N113-Y115 PolarHBondContact OD1-OH 3.43Å; N113-L125 HydrophobicContact CB-CB 3.99Å; N113-L125 HydrophobicContact CB-CD2 4.12Å; N113-L125 WeakPolarHBondContact O-CB 3.29Å; N113-L125 PolarHBondContact O-N 3.39Å; N113-L155 HydrophobicContact CB-CD1 4.28Å; N113-L155 WeakPolarHBondContact ND2-CD2 3.15Å
114Q98.6Very high98.1Very high80 Ų8060.9 Ų60.937%0.37432%0.321SS..EExtended strand (participates in β ladder)trans-143149.2-173.267.3-168.637.500112T96 M97 A124T96-Q114 WeakPolarHBondContact CA-O 3.35Å; M97-Q114 HydrophobicContact CB-CG 4.13Å; M97-Q114 VanDerWaalsContact CE-CD 3.48Å; M97-Q114 HydrophobicContact CE-CG 3.95Å; M97-Q114 PolarHBondContact N-O 3.23Å; M97-Q114 PolarHBondContact O-N 3.43Å; Q114-A124 HydrophobicContact CB-CB 3.83Å
115Y98.7Very high98.2Very high30 Ų3055.4 Ų55.412%0.11828%0.284CS..EExtended strand (participates in β ladder)trans-126.5145-174-58.4-97000110.5W94 Q95 T96 N113 Y122 I123 W146W94-Y115 AromaticContact CE2-CD1 3.97Å; W94-Y115 AromaticContact CZ2-CD1 3.86Å; W94-Y115 HydrophobicContact CZ2-CD1 3.86Å; W94-Y115 HydrophobicContact CZ2-CG 4.31Å; W94-Y115 AromaticContact NE1-CD1 3.54Å; Q95-Y115 VanDerWaalsContact O-CA 3.3Å; Q95-Y115 WeakPolarHBondContact O-CA 3.3Å; T96-Y115 HydrophobicContact CG2-CD1 3.75Å; T96-Y115 HydrophobicContact CG2-CE1 3.43Å; T96-Y115 VanDerWaalsContact CG2-CE1 3.43Å; T96-Y115 HydrophobicContact CG2-CG 4.41Å; T96-Y115 WeakPolarHBondContact OG1-CD1 3.38Å; T96-Y115 VanDerWaalsContact OG1-CE1 3.24Å; T96-Y115 WeakPolarHBondContact OG1-CE1 3.42Å; N113-Y115 WeakPolarHBondContact OD1-CE2 3.06Å; N113-Y115 PolarHBondContact OD1-OH 3.43Å; Y115-Y122 WeakPolarHBondContact O-CB 3.4Å; Y115-Y122 PolarHBondContact O-N 3.18Å; Y115-I123 HydrophobicContact CD2-CG2 3.69Å; Y115-I123 HydrophobicContact CG-CG2 4.21Å; Y115-I123 PolarHBondContact N-O 3.3Å; Y115-I123 PolarHBondContact O-N 3Å; Y115-W146 AromaticContact CD2-CH2 3.67Å; Y115-W146 HydrophobicContact CD2-CH2 3.67Å; Y115-W146 AromaticContact CD2-CZ3 3.94Å; Y115-W146 HydrophobicContact CD2-CZ3 3.94Å; Y115-W146 HydrophobicContact CE1-CH2 4.2Å; Y115-W146 AromaticContact CE2-CH2 3.24Å; Y115-W146 HydrophobicContact CE2-CH2 3.24Å; Y115-W146 HydrophobicContact CE2-CZ2 4.41Å; Y115-W146 AromaticContact CE2-CZ3 3.54Å; Y115-W146 HydrophobicContact CE2-CZ3 3.54Å; Y115-W146 HydrophobicContact CG-CH2 4.31Å; Y115-W146 AromaticContact CZ-CH2 3.56Å
116A98.8Very high98.3Very high15 Ų1552.9 Ų52.912%0.12427%0.271CS..EExtended strand (participates in β ladder)trans-130.8146.4173.400000110.7Q95 K120Q95-A116 HydrophobicContact CB-CB 4.24Å; Q95-A116 PolarHBondContact N-O 2.93Å; Q95-A116 PolarHBondContact O-N 3.1Å; A116-K120 CarbonylContact C-O 3.55Å; A116-K120 WeakPolarHBondContact CA-O 3.27Å; A116-K120 WeakPolarHBondContact CB-O 3.39Å
117Y98.6Very high98.4Very high11 Ų1158.7 Ų58.74%0.04330%0.295CS..EExtended strand (participates in β ladder)trans-124.6126.9175.8-174.8-119.4000109.8L77 A80 Y84 Q86 H92 T93 W94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.13Å; A80-Y117 HydrophobicContact CB-CD1 4.33Å; A80-Y117 HydrophobicContact CB-CD2 3.96Å; A80-Y117 HydrophobicContact CB-CE1 3.92Å; A80-Y117 HydrophobicContact CB-CE2 3.55Å; A80-Y117 HydrophobicContact CB-CG 4.34Å; Y84-Y117 AromaticContact CD2-CD1 3.69Å; Y84-Y117 HydrophobicContact CD2-CD1 3.69Å; Y84-Y117 AromaticContact CD2-CE1 3.51Å; Y84-Y117 HydrophobicContact CD2-CE1 3.51Å; Y84-Y117 AromaticContact CE2-CD1 3.48Å; Y84-Y117 HydrophobicContact CE2-CD1 3.48Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.48Å; Y84-Y117 AromaticContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CG 4.4Å; Y84-Y117 HydrophobicContact CG-CE1 4.35Å; Q86-Y117 PolarHBondContact OE1-OH 3.33Å; H92-Y117 HydrophobicContact CB-CE2 3.92Å; H92-Y117 VanDerWaalsContact CG-OH 3.24Å; H92-Y117 AromaticContact ND1-CZ 3.84Å; H92-Y117 PolarHBondContact ND1-OH 2.89Å; T93-Y117 CarbonylContact O-C 3.53Å; T93-Y117 WeakPolarHBondContact O-CA 3.5Å; T93-Y117 VanDerWaalsContact O-CD2 3.27Å; T93-Y117 WeakPolarHBondContact O-CD2 3.41Å; W94-Y117 AromaticContact CE3-CD2 3.83Å; W94-Y117 HydrophobicContact CE3-CD2 3.83Å; W94-Y117 HydrophobicContact CE3-CG 4.44Å; W94-Y117 HydrophobicContact CZ3-CD2 4.43Å; Y117-G119 PolarHBondContact O-N 3.5Å; Y117-K120 PolarHBondContact N-O 2.94Å; Y117-K120 PolarHBondContact O-N 2.05Å
118D98.3Very high98.5Very high64 Ų6454.4 Ų54.434%0.34229%0.285SS..THydrogen-bonded Turntrans49.240.5-174.6-66.5-22000113.6H92 T93 K120H92-D118 WeakPolarHBondContact CA-OD1 3.1Å; H92-D118 WeakPolarHBondContact CB-OD1 3.43Å; H92-D118 IonicContact CE1-OD2 2.79Å; H92-D118 IonicContact CG-OD1 2.78Å; H92-D118 IonicContact CG-OD2 2.8Å; H92-D118 IonicContact ND1-OD1 3.24Å; H92-D118 PolarHBondContact ND1-OD1 2.99Å; H92-D118 IonicContact ND1-OD2 3.54Å; H92-D118 PolarHBondContact ND1-OD2 3.09Å; T93-D118 PolarHBondContact N-OD1 3.04Å; T93-D118 PolarHBondContact O-N 3.24Å; D118-K120 VanDerWaalsContact C-N 3.28Å; D118-K120 PolarHBondContact O-N 3.46Å
119G97.6Very high98.4Very high58 Ų5852.4 Ų52.460%0.59828%0.275SS*.THydrogen-bonded Turntrans77.16.1177.600000115.1Y117Y117-G119 PolarHBondContact O-N 3.5Å
120K98.3Very high98.4Very high158 Ų15850 Ų5069%0.68727%0.268SS*.EExtended strand (participates in β ladder)trans-110.6144.2174.6-63180-178.7178.40110.3A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.55Å; A116-K120 WeakPolarHBondContact CA-O 3.27Å; A116-K120 WeakPolarHBondContact CB-O 3.39Å; Y117-K120 PolarHBondContact N-O 2.94Å; Y117-K120 PolarHBondContact O-N 2.05Å; D118-K120 VanDerWaalsContact C-N 3.28Å; D118-K120 PolarHBondContact O-N 3.46Å; K120-Y122 PolarHBondContact O-N 3.22Å
121D98.6Very high98.5Very high117 Ų11747 Ų4763%0.62626%0.262SS*.EExtended strand (participates in β ladder)trans-51.1141.7172.3-68-19.9000110.4V135D121-V135 HydrophobicContact CB-CG1 3.84Å; D121-V135 WeakPolarHBondContact O-CG2 3.15Å
122Y98.6Very high98.5Very high2 Ų247.4 Ų47.41%0.00826%0.263CS..EExtended strand (participates in β ladder)trans-118.8-64.1-179.8179.6-105000109.9Y83 Y84 W94 Y115 K120 V135 A138 A139 T142Y83-Y122 WeakPolarHBondContact CD2-OH 3.38Å; Y84-Y122 HydrophobicContact CE2-CD2 4.3Å; Y84-Y122 AromaticContact CE2-CE2 3.96Å; Y84-Y122 HydrophobicContact CE2-CE2 3.96Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.27Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.45Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.17Å; W94-Y122 AromaticContact CH2-CD1 3.68Å; W94-Y122 HydrophobicContact CH2-CD1 3.68Å; W94-Y122 AromaticContact CH2-CE1 3.57Å; W94-Y122 HydrophobicContact CH2-CE1 3.57Å; W94-Y122 HydrophobicContact CH2-CG 4.39Å; W94-Y122 HydrophobicContact CZ2-CD1 4.34Å; W94-Y122 HydrophobicContact CZ2-CE1 4.48Å; W94-Y122 HydrophobicContact CZ3-CD1 4.32Å; W94-Y122 HydrophobicContact CZ3-CE1 4.26Å; Y115-Y122 WeakPolarHBondContact O-CB 3.4Å; Y115-Y122 PolarHBondContact O-N 3.18Å; K120-Y122 PolarHBondContact O-N 3.22Å; Y122-V135 PolarHBondContact O-N 2.97Å; Y122-V135 VanDerWaalsContact O-N 3.14Å; Y122-A138 HydrophobicContact CE2-CB 4.36Å; Y122-A138 PolarHBondContact OH-O 2.82Å; Y122-A139 HydrophobicContact CD1-CB 4.38Å; Y122-A139 HydrophobicContact CD2-CB 3.92Å; Y122-A139 HydrophobicContact CE1-CB 4.25Å; Y122-A139 HydrophobicContact CE2-CB 3.81Å; Y122-A139 HydrophobicContact CG-CB 4.21Å; Y122-A139 WeakPolarHBondContact O-CB 3.42Å; Y122-T142 HydrophobicContact CE1-CG2 4.21Å; Y122-T142 PolarHBondContact OH-OG1 2.98Å
123I98.7Very high98.5Very high3 Ų349.9 Ų49.92%0.01528%0.28CS..EExtended strand (participates in β ladder)trans-149143177.5-162.2173.8000109.8Y115 W132 T133 A134 A139 T142 Q143 W146Y115-I123 HydrophobicContact CD2-CG2 3.69Å; Y115-I123 HydrophobicContact CG-CG2 4.21Å; Y115-I123 PolarHBondContact N-O 3.3Å; Y115-I123 PolarHBondContact O-N 3Å; I123-W132 HydrophobicContact CD1-CB 4.19Å; I123-W132 HydrophobicContact CD1-CD2 4.37Å; I123-W132 HydrophobicContact CD1-CE3 4.15Å; I123-W132 HydrophobicContact CD1-CG 4.41Å; I123-W132 HydrophobicContact CG1-CB 4.32Å; I123-W132 HydrophobicContact CG1-CE3 4.03Å; I123-T133 WeakPolarHBondContact CA-O 3.37Å; I123-T133 WeakPolarHBondContact CG1-O 3.2Å; I123-A134 HydrophobicContact CD1-CB 4.43Å; I123-A134 HydrophobicContact CG1-CB 4.26Å; I123-A139 HydrophobicContact CB-CB 4.48Å; I123-T142 HydrophobicContact CD1-CG2 4.22Å; I123-Q143 HydrophobicContact CD1-CB 3.81Å; I123-W146 HydrophobicContact CD1-CE3 4.11Å; I123-W146 HydrophobicContact CD1-CZ3 4.26Å; I123-W146 HydrophobicContact CG2-CE3 4.41Å; I123-W146 HydrophobicContact CG2-CH2 3.92Å; I123-W146 HydrophobicContact CG2-CZ3 3.55Å
124A98.8Very high98.5Very high30 Ų3050.6 Ų50.625%0.24829%0.286CS..EExtended strand (participates in β ladder)trans-134.1140.3177.900000111.4Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.83Å; A124-W132 CarbonylContact O-C 3.52Å; A124-W132 WeakPolarHBondContact O-CA 3.3Å; A124-T133 PolarHBondContact N-O 2.87Å; A124-T133 PolarHBondContact O-N 2.86Å
125L98.8Very high98.4Very high13 Ų1350.7 Ų50.77%0.06829%0.292CS..EExtended strand (participates in β ladder)trans-71.5127.6167.6-175.369000108.1N113 L129 W132 A152 L155 L159N113-L125 HydrophobicContact CB-CB 3.99Å; N113-L125 HydrophobicContact CB-CD2 4.12Å; N113-L125 WeakPolarHBondContact O-CB 3.29Å; N113-L125 PolarHBondContact O-N 3.39Å; L125-L129 HydrophobicContact CD2-CB 4.43Å; L125-L129 HydrophobicContact CD2-CD2 3.8Å; L125-L129 HydrophobicContact CG-CD2 4.36Å; L125-W132 HydrophobicContact CB-CE3 4.03Å; L125-W132 HydrophobicContact CB-CH2 4.17Å; L125-W132 HydrophobicContact CB-CZ3 3.73Å; L125-W132 HydrophobicContact CD1-CD2 4.2Å; L125-W132 HydrophobicContact CD1-CE3 4.34Å; L125-W132 HydrophobicContact CD1-CH2 4.16Å; L125-W132 HydrophobicContact CD1-CZ2 3.99Å; L125-W132 HydrophobicContact CD1-CZ3 4.31Å; L125-A152 HydrophobicContact CD1-CB 3.88Å; L125-L155 HydrophobicContact CD2-CB 4.17Å; L125-L155 HydrophobicContact CD2-CD1 4.42Å; L125-L159 HydrophobicContact CD2-CD1 3.98Å
126N98.7Very high98.4Very high46 Ų4651.5 Ų51.525%0.24630%0.298CS..  trans-71163.9179.7-67.7-29.9000111.3D128 L129 S131 T133N126-D128 PolarHBondContact O-N 3.45Å; N126-D128 VanDerWaalsContact O-N 3.07Å; N126-L129 PolarHBondContact O-N 2.71Å; N126-S131 WeakPolarHBondContact CB-O 3.22Å; N126-S131 WeakPolarHBondContact CB-OG 3.34Å; N126-S131 PolarHBondContact N-O 2.82Å; N126-S131 PolarHBondContact ND2-OG 2.91Å; N126-T133 PolarHBondContact ND2-OG1 2.88Å; N126-T133 WeakPolarHBondContact OD1-CB 3.41Å; N126-T133 PolarHBondContact OD1-OG1 2.88Å
127E98Very high98.3Very high131 Ų13156 Ų5661%0.61233%0.325SS*.THydrogen-bonded Turntrans-59.2-22.4-179.1-68.3-178.9-163.600113.7R110 L129R110-E127 VanDerWaalsContact CZ-CD 3.41Å; R110-E127 VanDerWaalsContact CZ-CG 3.49Å; R110-E127 IonicContact CZ-OE1 2.72Å; R110-E127 IonicContact NE-OE1 3.44Å; R110-E127 VanDerWaalsContact NH1-CD 3.31Å; R110-E127 IonicContact NH1-OE1 3.67Å; R110-E127 PolarHBondContact NH1-OE1 3.44Å; R110-E127 IonicContact NH1-OE2 2.74Å; R110-E127 VanDerWaalsContact NH2-CG 3.29Å; R110-E127 IonicContact NH2-OE1 3.69Å; R110-E127 PolarHBondContact NH2-OE1 2.98Å; E127-L129 PolarHBondContact O-N 2.93Å
128D98Very high98.3Very high83 Ų8355.6 Ų55.644%0.44432%0.324SS..THydrogen-bonded Turntrans-71-8.4174.767.921.4000114N126 S130 S131N126-D128 PolarHBondContact O-N 3.45Å; N126-D128 VanDerWaalsContact O-N 3.07Å; D128-S130 PolarHBondContact O-N 2.89Å; D128-S130 WeakPolarHBondContact OD1-CA 3.4Å; D128-S130 PolarHBondContact OD1-N 2.95Å; D128-S130 PolarHBondContact OD1-OG 3.33Å; D128-S130 PolarHBondContact OD2-OG 3.32Å; D128-S131 VanDerWaalsContact CG-OG 3.27Å; D128-S131 PolarHBondContact OD1-N 2.89Å; D128-S131 PolarHBondContact OD1-OG 3.1Å; D128-S131 WeakPolarHBondContact OD2-CB 3.3Å; D128-S131 PolarHBondContact OD2-OG 3.39Å
129L98.4Very high98.3Very high9 Ų952.6 Ų52.65%0.04731%0.307CS..SBendtrans53.629.7-177-51-177.4000113.8L108 L125 N126 E127 R156 L159 E160L108-L129 HydrophobicContact CD2-CD1 4.15Å; L125-L129 HydrophobicContact CD2-CB 4.43Å; L125-L129 HydrophobicContact CD2-CD2 3.8Å; L125-L129 HydrophobicContact CG-CD2 4.36Å; N126-L129 PolarHBondContact O-N 2.71Å; E127-L129 PolarHBondContact O-N 2.93Å; L129-R156 HydrophobicContact CB-CB 4.08Å; L129-R156 HydrophobicContact CB-CG 3.94Å; L129-R156 HydrophobicContact CD1-CG 4.32Å; L129-L159 HydrophobicContact CD1-CB 4.47Å; L129-L159 HydrophobicContact CD2-CD1 3.97Å; L129-E160 HydrophobicContact CD1-CG 4.25Å
130S98.1Very high98.3Very high70 Ų7053.4 Ų53.449%0.4930%0.296SS..SBendtrans-140.4-24-175.368.70000113.6D128D128-S130 PolarHBondContact O-N 2.89Å; D128-S130 WeakPolarHBondContact OD1-CA 3.4Å; D128-S130 PolarHBondContact OD1-N 2.95Å; D128-S130 PolarHBondContact OD1-OG 3.33Å; D128-S130 PolarHBondContact OD2-OG 3.32Å
131S98.3Very high98.3Very high38 Ų3848.9 Ų48.927%0.26628%0.278SS..  trans-122.1163.8-17970.50000112.1N126 D128N126-S131 WeakPolarHBondContact CB-O 3.22Å; N126-S131 WeakPolarHBondContact CB-OG 3.34Å; N126-S131 PolarHBondContact N-O 2.82Å; N126-S131 PolarHBondContact ND2-OG 2.91Å; D128-S131 VanDerWaalsContact CG-OG 3.27Å; D128-S131 PolarHBondContact OD1-N 2.89Å; D128-S131 PolarHBondContact OD1-OG 3.1Å; D128-S131 WeakPolarHBondContact OD2-CB 3.3Å; D128-S131 PolarHBondContact OD2-OG 3.39Å
132W98.8Very high98.3Very high12 Ų1243.9 Ų43.95%0.04525%0.252CS..EExtended strand (participates in β ladder)trans-121.2146.4-175.6-61.393.2000111.7I123 A124 L125 Q143 W146 E151 A152 L155I123-W132 HydrophobicContact CD1-CB 4.19Å; I123-W132 HydrophobicContact CD1-CD2 4.37Å; I123-W132 HydrophobicContact CD1-CE3 4.15Å; I123-W132 HydrophobicContact CD1-CG 4.41Å; I123-W132 HydrophobicContact CG1-CB 4.32Å; I123-W132 HydrophobicContact CG1-CE3 4.03Å; A124-W132 CarbonylContact O-C 3.52Å; A124-W132 WeakPolarHBondContact O-CA 3.3Å; L125-W132 HydrophobicContact CB-CE3 4.03Å; L125-W132 HydrophobicContact CB-CH2 4.17Å; L125-W132 HydrophobicContact CB-CZ3 3.73Å; L125-W132 HydrophobicContact CD1-CD2 4.2Å; L125-W132 HydrophobicContact CD1-CE3 4.34Å; L125-W132 HydrophobicContact CD1-CH2 4.16Å; L125-W132 HydrophobicContact CD1-CZ2 3.99Å; L125-W132 HydrophobicContact CD1-CZ3 4.31Å; W132-Q143 HydrophobicContact CB-CG 4.08Å; W132-Q143 PolarHBondContact O-NE2 2.95Å; W132-W146 HydrophobicContact CD2-CE3 4.01Å; W132-W146 AromaticContact CE2-CE3 3.82Å; W132-W146 AromaticContact CE3-CE3 3.86Å; W132-W146 HydrophobicContact CE3-CE3 3.86Å; W132-W146 AromaticContact CE3-CZ3 3.95Å; W132-W146 HydrophobicContact CE3-CZ3 3.95Å; W132-W146 HydrophobicContact CH2-CD2 4.41Å; W132-W146 AromaticContact CH2-CE3 3.31Å; W132-W146 HydrophobicContact CH2-CE3 3.31Å; W132-W146 AromaticContact CH2-CZ3 3.4Å; W132-W146 HydrophobicContact CH2-CZ3 3.4Å; W132-W146 VanDerWaalsContact CH2-CZ3 3.4Å; W132-W146 HydrophobicContact CZ2-CB 4.49Å; W132-W146 HydrophobicContact CZ2-CD2 4.32Å; W132-W146 AromaticContact CZ2-CE3 3.48Å; W132-W146 HydrophobicContact CZ2-CE3 3.48Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.48Å; W132-W146 HydrophobicContact CZ2-CZ3 4.09Å; W132-W146 AromaticContact CZ3-CE3 3.54Å; W132-W146 HydrophobicContact CZ3-CE3 3.54Å; W132-W146 AromaticContact CZ3-CZ3 3.35Å; W132-W146 HydrophobicContact CZ3-CZ3 3.35Å; W132-E151 HydrophobicContact CZ2-CB 4.29Å; W132-A152 HydrophobicContact CZ2-CB 4.35Å; W132-L155 HydrophobicContact CH2-CD1 3.36Å; W132-L155 HydrophobicContact CZ2-CD1 3.78Å; W132-L155 HydrophobicContact CZ3-CD1 4.48Å
133T98.7Very high98.3Very high73 Ų7345.6 Ų45.645%0.44826%0.26SS..EExtended strand (participates in β ladder)trans-109.6113.5165.1-65.50000109I123 A124 N126I123-T133 WeakPolarHBondContact CA-O 3.37Å; I123-T133 WeakPolarHBondContact CG1-O 3.2Å; A124-T133 PolarHBondContact N-O 2.87Å; A124-T133 PolarHBondContact O-N 2.86Å; N126-T133 PolarHBondContact ND2-OG1 2.88Å; N126-T133 WeakPolarHBondContact OD1-CB 3.41Å; N126-T133 PolarHBondContact OD1-OG1 2.88Å
134A98.5Very high98.3Very high20 Ų2053 Ų5317%0.16529%0.288CS..EExtended strand (participates in β ladder)trans-100.2131.3173.500000110.1I123 A139 Q140 Q143I123-A134 HydrophobicContact CD1-CB 4.43Å; I123-A134 HydrophobicContact CG1-CB 4.26Å; A134-A139 HydrophobicContact CB-CB 3.7Å; A134-Q140 HydrophobicContact CB-CG 3.98Å; A134-Q143 HydrophobicContact CB-CB 4.3Å
135V97.9Very high98.3Very high81 Ų8157.1 Ų57.149%0.49130%0.3SS..  trans-81.4-23.1-172.8-55.20000114.1D121 Y122D121-V135 HydrophobicContact CB-CG1 3.84Å; D121-V135 WeakPolarHBondContact O-CG2 3.15Å; Y122-V135 PolarHBondContact O-N 2.97Å; Y122-V135 VanDerWaalsContact O-N 3.14Å
136D97.5Very high98.3Very high47 Ų4758.7 Ų58.725%0.25131%0.305SS..SBendtrans-148.8179.4-17669.128000112.5Y84 A138 A139 Q140Y84-D136 VanDerWaalsContact CE1-OD2 3.23Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.48Å; Y84-D136 PolarHBondContact OH-OD1 2.77Å; Y84-D136 PolarHBondContact OH-OD2 2.91Å; D136-A138 VanDerWaalsContact C-N 3.27Å; D136-A138 PolarHBondContact O-N 2.97Å; D136-A138 WeakPolarHBondContact OD1-CA 3.49Å; D136-A138 WeakPolarHBondContact OD1-CB 3.23Å; D136-A138 PolarHBondContact OD1-N 2.9Å; D136-A139 PolarHBondContact O-N 2.8Å; D136-A139 PolarHBondContact OD1-N 2.81Å; D136-Q140 VanDerWaalsContact O-CG 3.31Å; D136-Q140 WeakPolarHBondContact O-CG 3.34Å; D136-Q140 PolarHBondContact O-N 3.45Å
137T97.9Very high98.3Very high110 Ų11061 Ų6168%0.67532%0.315SS*.Hα-helixtrans-65.9-26.8-178.751.50000113.8
138A97.6Very high98.3Very high3 Ų359 Ų593%0.02532%0.321CS..Hα-helixtrans-72.2-47.1175.900000110.1Y83 Y84 Y122 D136 Q140 I141Y83-A138 HydrophobicContact CD2-CB 4.33Å; Y83-A138 HydrophobicContact CG-CB 4.48Å; Y84-A138 HydrophobicContact CD1-CB 4.2Å; Y84-A138 HydrophobicContact CD2-CB 4.41Å; Y84-A138 HydrophobicContact CE1-CB 3.63Å; Y84-A138 HydrophobicContact CE2-CB 3.87Å; Y84-A138 VanDerWaalsContact CZ-CB 3.45Å; Y122-A138 HydrophobicContact CE2-CB 4.36Å; Y122-A138 PolarHBondContact OH-O 2.82Å; D136-A138 VanDerWaalsContact C-N 3.27Å; D136-A138 PolarHBondContact O-N 2.97Å; D136-A138 WeakPolarHBondContact OD1-CA 3.49Å; D136-A138 WeakPolarHBondContact OD1-CB 3.23Å; D136-A138 PolarHBondContact OD1-N 2.9Å; A138-Q140 VanDerWaalsContact C-N 3.29Å; A138-Q140 PolarHBondContact O-N 2.98Å; A138-I141 WeakPolarHBondContact O-CB 3.38Å; A138-I141 PolarHBondContact O-N 3.48Å
139A98.1Very high98.3Very high0 Ų057.4 Ų57.40%032%0.319CS..Hα-helixtrans-61.7-34.9174.700000112.8Y122 I123 A134 D136 I141 T142 Q143Y122-A139 HydrophobicContact CD1-CB 4.38Å; Y122-A139 HydrophobicContact CD2-CB 3.92Å; Y122-A139 HydrophobicContact CE1-CB 4.25Å; Y122-A139 HydrophobicContact CE2-CB 3.81Å; Y122-A139 HydrophobicContact CG-CB 4.21Å; Y122-A139 WeakPolarHBondContact O-CB 3.42Å; I123-A139 HydrophobicContact CB-CB 4.48Å; A134-A139 HydrophobicContact CB-CB 3.7Å; D136-A139 PolarHBondContact O-N 2.8Å; D136-A139 PolarHBondContact OD1-N 2.81Å; A139-I141 PolarHBondContact O-N 2.92Å; A139-T142 CarbonylContact O-C 3.6Å; A139-T142 WeakPolarHBondContact O-CA 3.38Å; A139-T142 WeakPolarHBondContact O-CB 3.42Å; A139-T142 PolarHBondContact O-N 2.94Å; A139-Q143 PolarHBondContact O-N 3.43Å
140Q98.6Very high98.3Very high76 Ų7664.5 Ų64.536%0.35535%0.345SS..Hα-helixtrans-60.8-29173.4-75.817310.600113A134 D136 A138 Q143 R144A134-Q140 HydrophobicContact CB-CG 3.98Å; D136-Q140 VanDerWaalsContact O-CG 3.31Å; D136-Q140 WeakPolarHBondContact O-CG 3.34Å; D136-Q140 PolarHBondContact O-N 3.45Å; A138-Q140 VanDerWaalsContact C-N 3.29Å; A138-Q140 PolarHBondContact O-N 2.98Å; Q140-Q143 PolarHBondContact O-N 3.33Å; Q140-R144 WeakPolarHBondContact O-CG 3.28Å; Q140-R144 PolarHBondContact O-N 2.83Å; Q140-R144 VanDerWaalsContact O-N 3.13Å
141I98.4Very high98.3Very high62 Ų6264.1 Ų64.132%0.31834%0.335SS..Hα-helixtrans-67.3-42.4173.3-61.2162.6000110Y83 A138 A139 K145Y83-I141 HydrophobicContact CD1-CD1 4.25Å; Y83-I141 HydrophobicContact CE1-CD1 4.37Å; Y83-I141 HydrophobicContact CE1-CG2 4.02Å; Y83-I141 HydrophobicContact CE2-CB 4.08Å; Y83-I141 HydrophobicContact CE2-CG2 4.07Å; Y83-I141 HydrophobicContact CG-CD1 4.39Å; Y83-I141 WeakPolarHBondContact OH-CG2 3.13Å; A138-I141 WeakPolarHBondContact O-CB 3.38Å; A138-I141 PolarHBondContact O-N 3.48Å; A139-I141 PolarHBondContact O-N 2.92Å; I141-K145 WeakPolarHBondContact O-CG 3.37Å; I141-K145 PolarHBondContact O-N 2.95Å
142T98.2Very high98.3Very high12 Ų1262.7 Ų62.77%0.07433%0.326CS..Hα-helixtrans-63.4-45.5173.6-67.40000111.3Y122 I123 A139 R144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.21Å; Y122-T142 PolarHBondContact OH-OG1 2.98Å; I123-T142 HydrophobicContact CD1-CG2 4.22Å; A139-T142 CarbonylContact O-C 3.6Å; A139-T142 WeakPolarHBondContact O-CA 3.38Å; A139-T142 WeakPolarHBondContact O-CB 3.42Å; A139-T142 PolarHBondContact O-N 2.94Å; T142-R144 PolarHBondContact O-N 3Å; T142-K145 WeakPolarHBondContact O-CB 3.45Å; T142-K145 PolarHBondContact O-N 3.23Å; T142-K145 VanDerWaalsContact O-N 3.09Å; T142-W146 HydrophobicContact CG2-CD2 3.61Å; T142-W146 VanDerWaalsContact CG2-CE2 3.43Å; T142-W146 HydrophobicContact CG2-CE3 3.98Å; T142-W146 HydrophobicContact CG2-CG 4.13Å; T142-W146 HydrophobicContact CG2-CH2 3.99Å; T142-W146 HydrophobicContact CG2-CZ2 3.65Å; T142-W146 HydrophobicContact CG2-CZ3 4.16Å; T142-W146 PolarHBondContact O-N 3.09Å
143Q98.6Very high98.2Very high39 Ų3967.3 Ų67.318%0.18235%0.348CS..Hα-helixtrans-51.9-52.5177.7177.4173.78.800111.7I123 W132 A134 A139 Q140 K145 W146 E147I123-Q143 HydrophobicContact CD1-CB 3.81Å; W132-Q143 HydrophobicContact CB-CG 4.08Å; W132-Q143 PolarHBondContact O-NE2 2.95Å; A134-Q143 HydrophobicContact CB-CB 4.3Å; A139-Q143 PolarHBondContact O-N 3.43Å; Q140-Q143 PolarHBondContact O-N 3.33Å; Q143-K145 VanDerWaalsContact C-N 3.28Å; Q143-K145 PolarHBondContact O-N 2.86Å; Q143-W146 PolarHBondContact O-N 3.4Å; Q143-W146 VanDerWaalsContact O-N 3.13Å; Q143-E147 HydrophobicContact CG-CG 4.27Å; Q143-E147 VanDerWaalsContact CG-OE1 3.24Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.22Å; Q143-E147 PolarHBondContact NE2-OE1 3.06Å; Q143-E147 WeakPolarHBondContact O-CB 3.34Å; Q143-E147 WeakPolarHBondContact O-CG 3.21Å; Q143-E147 PolarHBondContact O-N 3.41Å
144R98.6Very high98.2Very high159 Ų15969.7 Ų69.760%0.635%0.354SS*.Hα-helixtrans-59.1-38.3179.5-68.6172.4-165.61537.8112.8Q140 T142 A148Q140-R144 WeakPolarHBondContact O-CG 3.28Å; Q140-R144 PolarHBondContact O-N 2.83Å; Q140-R144 VanDerWaalsContact O-N 3.13Å; T142-R144 PolarHBondContact O-N 3Å; R144-A148 VanDerWaalsContact O-CB 3.32Å; R144-A148 WeakPolarHBondContact O-CB 3.21Å; R144-A148 PolarHBondContact O-N 3.23Å
145K98.2Very high98.2Very high115 Ų11570.3 Ų70.350%0.535%0.354SS..Hα-helixtrans-65.9-44.9177-72.4177174.4-175.70111.1Y83 I141 T142 Q143 A148 A149Y83-K145 PolarHBondContact OH-NZ 3.39Å; I141-K145 WeakPolarHBondContact O-CG 3.37Å; I141-K145 PolarHBondContact O-N 2.95Å; T142-K145 WeakPolarHBondContact O-CB 3.45Å; T142-K145 PolarHBondContact O-N 3.23Å; T142-K145 VanDerWaalsContact O-N 3.09Å; Q143-K145 VanDerWaalsContact C-N 3.28Å; Q143-K145 PolarHBondContact O-N 2.86Å; K145-A148 PolarHBondContact O-N 3.42Å; K145-A149 WeakPolarHBondContact O-CB 3.49Å; K145-A149 PolarHBondContact O-N 3.44Å
146W98.4Very high98.2Very high46 Ų4671.6 Ų71.617%0.17435%0.35CS..Hα-helixtrans-71.7-34.9-178.4-72.60.3000112.9Y115 I123 W132 T142 Q143 A149 R150 E151Y115-W146 AromaticContact CD2-CH2 3.67Å; Y115-W146 HydrophobicContact CD2-CH2 3.67Å; Y115-W146 AromaticContact CD2-CZ3 3.94Å; Y115-W146 HydrophobicContact CD2-CZ3 3.94Å; Y115-W146 HydrophobicContact CE1-CH2 4.2Å; Y115-W146 AromaticContact CE2-CH2 3.24Å; Y115-W146 HydrophobicContact CE2-CH2 3.24Å; Y115-W146 HydrophobicContact CE2-CZ2 4.41Å; Y115-W146 AromaticContact CE2-CZ3 3.54Å; Y115-W146 HydrophobicContact CE2-CZ3 3.54Å; Y115-W146 HydrophobicContact CG-CH2 4.31Å; Y115-W146 AromaticContact CZ-CH2 3.56Å; I123-W146 HydrophobicContact CD1-CE3 4.11Å; I123-W146 HydrophobicContact CD1-CZ3 4.26Å; I123-W146 HydrophobicContact CG2-CE3 4.41Å; I123-W146 HydrophobicContact CG2-CH2 3.92Å; I123-W146 HydrophobicContact CG2-CZ3 3.55Å; W132-W146 HydrophobicContact CD2-CE3 4.01Å; W132-W146 AromaticContact CE2-CE3 3.82Å; W132-W146 AromaticContact CE3-CE3 3.86Å; W132-W146 HydrophobicContact CE3-CE3 3.86Å; W132-W146 AromaticContact CE3-CZ3 3.95Å; W132-W146 HydrophobicContact CE3-CZ3 3.95Å; W132-W146 HydrophobicContact CH2-CD2 4.41Å; W132-W146 AromaticContact CH2-CE3 3.31Å; W132-W146 HydrophobicContact CH2-CE3 3.31Å; W132-W146 AromaticContact CH2-CZ3 3.4Å; W132-W146 HydrophobicContact CH2-CZ3 3.4Å; W132-W146 VanDerWaalsContact CH2-CZ3 3.4Å; W132-W146 HydrophobicContact CZ2-CB 4.49Å; W132-W146 HydrophobicContact CZ2-CD2 4.32Å; W132-W146 AromaticContact CZ2-CE3 3.48Å; W132-W146 HydrophobicContact CZ2-CE3 3.48Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.48Å; W132-W146 HydrophobicContact CZ2-CZ3 4.09Å; W132-W146 AromaticContact CZ3-CE3 3.54Å; W132-W146 HydrophobicContact CZ3-CE3 3.54Å; W132-W146 AromaticContact CZ3-CZ3 3.35Å; W132-W146 HydrophobicContact CZ3-CZ3 3.35Å; T142-W146 HydrophobicContact CG2-CD2 3.61Å; T142-W146 VanDerWaalsContact CG2-CE2 3.43Å; T142-W146 HydrophobicContact CG2-CE3 3.98Å; T142-W146 HydrophobicContact CG2-CG 4.13Å; T142-W146 HydrophobicContact CG2-CH2 3.99Å; T142-W146 HydrophobicContact CG2-CZ2 3.65Å; T142-W146 HydrophobicContact CG2-CZ3 4.16Å; T142-W146 PolarHBondContact O-N 3.09Å; Q143-W146 PolarHBondContact O-N 3.4Å; Q143-W146 VanDerWaalsContact O-N 3.13Å; W146-A149 CarbonylContact O-C 3.59Å; W146-A149 PolarHBondContact O-N 2.89Å; W146-R150 PolarHBondContact O-N 3.42Å; W146-E151 HydrophobicContact CB-CB 3.95Å; W146-E151 HydrophobicContact CB-CG 3.84Å; W146-E151 HydrophobicContact CG-CB 4.16Å; W146-E151 HydrophobicContact CG-CG 3.8Å; W146-E151 PolarHBondContact O-N 3.2Å
147E98.6Very high98.3Very high96 Ų9672.5 Ų72.545%0.44936%0.364SS..Hα-helixtrans-63.7-46.9170.5-73.2170.2173.200111Q143 A149 R150Q143-E147 HydrophobicContact CG-CG 4.27Å; Q143-E147 VanDerWaalsContact CG-OE1 3.24Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.22Å; Q143-E147 PolarHBondContact NE2-OE1 3.06Å; Q143-E147 WeakPolarHBondContact O-CB 3.34Å; Q143-E147 WeakPolarHBondContact O-CG 3.21Å; Q143-E147 PolarHBondContact O-N 3.41Å; E147-A149 VanDerWaalsContact C-N 3.28Å; E147-A149 PolarHBondContact O-N 3.06Å; E147-R150 PolarHBondContact O-N 3.36Å; E147-R150 VanDerWaalsContact O-N 3.14Å
148A98.4Very high98.3Very high89 Ų8969.9 Ų69.974%0.73634%0.342SS*.Hα-helixtrans-62.7-34.4177.200000112.8R144 K145R144-A148 VanDerWaalsContact O-CB 3.32Å; R144-A148 WeakPolarHBondContact O-CB 3.21Å; R144-A148 PolarHBondContact O-N 3.23Å; K145-A148 PolarHBondContact O-N 3.42Å
149A98.2Very high98.3Very high49 Ų4969.8 Ų69.841%0.40534%0.341SS..THydrogen-bonded Turntrans-87.9-1.5177.400000114.1K145 W146 E147 E151K145-A149 WeakPolarHBondContact O-CB 3.49Å; K145-A149 PolarHBondContact O-N 3.44Å; W146-A149 CarbonylContact O-C 3.59Å; W146-A149 PolarHBondContact O-N 2.89Å; E147-A149 VanDerWaalsContact C-N 3.28Å; E147-A149 PolarHBondContact O-N 3.06Å; A149-E151 VanDerWaalsContact C-N 3.25Å; A149-E151 HydrophobicContact CB-CG 4.05Å; A149-E151 PolarHBondContact O-N 3.03Å
150R98Very high98.4Very high157 Ų15774 Ų7459%0.59236%0.361SS*.THydrogen-bonded Turntrans53.638.6-177.1-61.1174.6170.4-129.36.4113.6W146 E147 A152 E153W146-R150 PolarHBondContact O-N 3.42Å; E147-R150 PolarHBondContact O-N 3.36Å; E147-R150 VanDerWaalsContact O-N 3.14Å; R150-A152 PolarHBondContact O-N 3.05Å; R150-E153 HydrophobicContact CB-CG 4.22Å; R150-E153 WeakPolarHBondContact CD-OE1 3.14Å; R150-E153 IonicContact CZ-OE1 3.54Å; R150-E153 IonicContact NE-OE1 3.81Å; R150-E153 IonicContact NH1-OE1 3.39Å; R150-E153 PolarHBondContact NH1-OE1 3.22Å; R150-E153 IonicContact NH1-OE2 3.64Å; R150-E153 WeakPolarHBondContact O-CB 3.43Å; R150-E153 PolarHBondContact O-N 2.96Å; R150-E153 VanDerWaalsContact O-N 3.09Å
151E98Very high98.4Very high62 Ų6271.4 Ų71.429%0.2935%0.354SS..Hα-helixtrans-60.1-33.1-177.7-66.7-67.6173.900112.7W132 W146 A149 E153 Q154 L155W132-E151 HydrophobicContact CZ2-CB 4.29Å; W146-E151 HydrophobicContact CB-CB 3.95Å; W146-E151 HydrophobicContact CB-CG 3.84Å; W146-E151 HydrophobicContact CG-CB 4.16Å; W146-E151 HydrophobicContact CG-CG 3.8Å; W146-E151 PolarHBondContact O-N 3.2Å; A149-E151 VanDerWaalsContact C-N 3.25Å; A149-E151 HydrophobicContact CB-CG 4.05Å; A149-E151 PolarHBondContact O-N 3.03Å; E151-E153 VanDerWaalsContact C-N 3.27Å; E151-E153 PolarHBondContact O-N 3.16Å; E151-Q154 PolarHBondContact O-N 3.32Å; E151-L155 WeakPolarHBondContact O-CG 3.41Å; E151-L155 PolarHBondContact O-N 2.67Å
152A98.5Very high98.3Very high8 Ų871.5 Ų71.57%0.06636%0.355CS..Hα-helixtrans-60.3-35.8177.500000112.3L125 W132 R150 Q154 L155 R156L125-A152 HydrophobicContact CD1-CB 3.88Å; W132-A152 HydrophobicContact CZ2-CB 4.35Å; R150-A152 PolarHBondContact O-N 3.05Å; A152-Q154 VanDerWaalsContact C-N 3.35Å; A152-Q154 PolarHBondContact O-N 3.43Å; A152-L155 PolarHBondContact O-N 2.89Å; A152-R156 VanDerWaalsContact O-CB 3.22Å; A152-R156 WeakPolarHBondContact O-CB 3.42Å; A152-R156 PolarHBondContact O-N 2.8Å
153E98.3Very high98.4Very high109 Ų10970.9 Ų70.951%0.50935%0.351SS..Hα-helixtrans-64.8-40178.3-62.5176.8-166.100111.3R150 E151 A157R150-E153 HydrophobicContact CB-CG 4.22Å; R150-E153 WeakPolarHBondContact CD-OE1 3.14Å; R150-E153 IonicContact CZ-OE1 3.54Å; R150-E153 IonicContact NE-OE1 3.81Å; R150-E153 IonicContact NH1-OE1 3.39Å; R150-E153 PolarHBondContact NH1-OE1 3.22Å; R150-E153 IonicContact NH1-OE2 3.64Å; R150-E153 WeakPolarHBondContact O-CB 3.43Å; R150-E153 PolarHBondContact O-N 2.96Å; R150-E153 VanDerWaalsContact O-N 3.09Å; E151-E153 VanDerWaalsContact C-N 3.27Å; E151-E153 PolarHBondContact O-N 3.16Å; E153-A157 WeakPolarHBondContact O-CB 3.44Å; E153-A157 PolarHBondContact O-N 2.95Å
154Q97.7Very high98.4Very high124 Ų12469.4 Ų69.458%0.57935%0.345SS*.Hα-helixtrans-68.5-44.1177.5-61-175.643.800111.6E151 A152 A157 Y158E151-Q154 PolarHBondContact O-N 3.32Å; A152-Q154 VanDerWaalsContact C-N 3.35Å; A152-Q154 PolarHBondContact O-N 3.43Å; Q154-A157 PolarHBondContact O-N 3.36Å; Q154-Y158 PolarHBondContact O-N 2.99Å; Q154-Y158 VanDerWaalsContact O-N 3.07Å
155L98.3Very high98.4Very high32 Ų3267.6 Ų67.617%0.16834%0.343CS..Hα-helixtrans-64.3-42.7177.5-70.4174.1000111.5N113 L125 W132 E151 A152 A157 Y158 L159N113-L155 HydrophobicContact CB-CD1 4.28Å; N113-L155 WeakPolarHBondContact ND2-CD2 3.15Å; L125-L155 HydrophobicContact CD2-CB 4.17Å; L125-L155 HydrophobicContact CD2-CD1 4.42Å; W132-L155 HydrophobicContact CH2-CD1 3.36Å; W132-L155 HydrophobicContact CZ2-CD1 3.78Å; W132-L155 HydrophobicContact CZ3-CD1 4.48Å; E151-L155 WeakPolarHBondContact O-CG 3.41Å; E151-L155 PolarHBondContact O-N 2.67Å; A152-L155 PolarHBondContact O-N 2.89Å; L155-A157 PolarHBondContact O-N 3.17Å; L155-Y158 PolarHBondContact O-N 2.87Å; L155-L159 WeakPolarHBondContact O-CB 3.32Å; L155-L159 WeakPolarHBondContact O-CG 3.37Å; L155-L159 PolarHBondContact O-N 2.88Å
156R98.6Very high98.4Very high109 Ų10965.2 Ų65.241%0.41133%0.331SS..Hα-helixtrans-58-48.1174.2-177.8178175.9171.86.7111.6L129 A152 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.08Å; L129-R156 HydrophobicContact CB-CG 3.94Å; L129-R156 HydrophobicContact CD1-CG 4.32Å; A152-R156 VanDerWaalsContact O-CB 3.22Å; A152-R156 WeakPolarHBondContact O-CB 3.42Å; A152-R156 PolarHBondContact O-N 2.8Å; R156-Y158 VanDerWaalsContact C-N 3.28Å; R156-Y158 PolarHBondContact O-N 3.15Å; R156-L159 PolarHBondContact O-N 3.43Å; R156-E160 HydrophobicContact CG-CG 4.14Å; R156-E160 IonicContact CZ-OE1 3.6Å; R156-E160 IonicContact CZ-OE2 2.86Å; R156-E160 VanDerWaalsContact NE-CD 3.29Å; R156-E160 IonicContact NE-OE1 3.04Å; R156-E160 PolarHBondContact NE-OE1 3.26Å; R156-E160 IonicContact NE-OE2 3.82Å; R156-E160 PolarHBondContact NE-OE2 3.01Å; R156-E160 VanDerWaalsContact NE-OE2 3.16Å; R156-E160 IonicContact NH2-OE1 3.39Å; R156-E160 PolarHBondContact NH2-OE1 3.24Å; R156-E160 IonicContact NH2-OE2 3.94Å; R156-E160 WeakPolarHBondContact O-CB 2.86Å; R156-E160 PolarHBondContact O-N 2.71Å
157A98.6Very high98.4Very high65 Ų6563 Ų6354%0.53732%0.323SS..Hα-helixtrans-58.9-39.3177.900000112.4E153 Q154 L155 G161E153-A157 WeakPolarHBondContact O-CB 3.44Å; E153-A157 PolarHBondContact O-N 2.95Å; Q154-A157 PolarHBondContact O-N 3.36Å; L155-A157 PolarHBondContact O-N 3.17Å; A157-G161 PolarHBondContact O-N 3.39Å; A157-G161 VanDerWaalsContact O-N 3.12Å
158Y98.4Very high98.4Very high56 Ų5664 Ų6422%0.2232%0.323CS..Iπ-helixtrans-66.7-48.1173.5170.1-97.3000112.5Y98 Q154 L155 R156 G161 L162 C163Y98-Y158 AromaticContact CD2-CE1 3.77Å; Y98-Y158 HydrophobicContact CD2-CE1 3.77Å; Y98-Y158 AromaticContact CE2-CE1 3.58Å; Y98-Y158 HydrophobicContact CE2-CE1 3.58Å; Y98-Y158 AromaticContact CE2-CZ 3.85Å; Q154-Y158 PolarHBondContact O-N 2.99Å; Q154-Y158 VanDerWaalsContact O-N 3.07Å; L155-Y158 PolarHBondContact O-N 2.87Å; R156-Y158 VanDerWaalsContact C-N 3.28Å; R156-Y158 PolarHBondContact O-N 3.15Å; Y158-G161 CarbonylContact O-C 3.56Å; Y158-G161 PolarHBondContact O-N 2.74Å; Y158-L162 HydrophobicContact CD2-CB 3.87Å; Y158-L162 HydrophobicContact CD2-CD1 4.35Å; Y158-L162 HydrophobicContact CE2-CB 4.06Å; Y158-L162 PolarHBondContact O-N 3.43Å; Y158-L162 VanDerWaalsContact O-N 3.16Å; Y158-C163 HydrophobicContact CD1-CB 4.28Å; Y158-C163 HydrophobicContact CE1-CB 3.79Å; Y158-C163 WeakPolarHBondContact O-CB 3.31Å; Y158-C163 PolarHBondContact O-N 3.31Å
159L98.8Very high98.4Very high1 Ų165.2 Ų65.21%0.00531%0.308CS..Iπ-helixtrans-68.9-39.3-174.1-70.8171.1000112.5G99 L125 L129 L155 R156 V164G99-L159 WeakPolarHBondContact O-CD2 3.34Å; L125-L159 HydrophobicContact CD2-CD1 3.98Å; L129-L159 HydrophobicContact CD1-CB 4.47Å; L129-L159 HydrophobicContact CD2-CD1 3.97Å; L155-L159 WeakPolarHBondContact O-CB 3.32Å; L155-L159 WeakPolarHBondContact O-CG 3.37Å; L155-L159 PolarHBondContact O-N 2.88Å; R156-L159 PolarHBondContact O-N 3.43Å; L159-V164 WeakPolarHBondContact O-CG2 3.27Å
160E98.4Very high98.4Very high89 Ų8962.9 Ų62.942%0.41629%0.289SS..Iπ-helixtrans-78.7-27.3176.7-69.8179.8164.600112.9L108 L129 R156L108-E160 HydrophobicContact CD2-CB 4.39Å; L108-E160 HydrophobicContact CD2-CG 3.64Å; L129-E160 HydrophobicContact CD1-CG 4.25Å; R156-E160 HydrophobicContact CG-CG 4.14Å; R156-E160 IonicContact CZ-OE1 3.6Å; R156-E160 IonicContact CZ-OE2 2.86Å; R156-E160 VanDerWaalsContact NE-CD 3.29Å; R156-E160 IonicContact NE-OE1 3.04Å; R156-E160 PolarHBondContact NE-OE1 3.26Å; R156-E160 IonicContact NE-OE2 3.82Å; R156-E160 PolarHBondContact NE-OE2 3.01Å; R156-E160 VanDerWaalsContact NE-OE2 3.16Å; R156-E160 IonicContact NH2-OE1 3.39Å; R156-E160 PolarHBondContact NH2-OE1 3.24Å; R156-E160 IonicContact NH2-OE2 3.94Å; R156-E160 WeakPolarHBondContact O-CB 2.86Å; R156-E160 PolarHBondContact O-N 2.71Å
161G98.4Very high98.4Very high20 Ų2056 Ų5621%0.20626%0.264CS..Iπ-helixtrans-103.8-95.6-178.200000112.9A157 Y158 C163 V164 E165A157-G161 PolarHBondContact O-N 3.39Å; A157-G161 VanDerWaalsContact O-N 3.12Å; Y158-G161 CarbonylContact O-C 3.56Å; Y158-G161 PolarHBondContact O-N 2.74Å; G161-C163 VanDerWaalsContact C-N 3.29Å; G161-C163 PolarHBondContact O-N 2.78Å; G161-V164 PolarHBondContact O-N 3.19Å; G161-V164 VanDerWaalsContact O-N 3.09Å; G161-E165 WeakPolarHBondContact O-CG 3.33Å; G161-E165 PolarHBondContact O-N 3.45Å
162L98.2Very high98.4Very high64 Ų6458.1 Ų58.134%0.33527%0.274SS..Iπ-helixtrans-55.3-39.4-169.5-72.9175.9000113.6Y158 V164 E165 W166Y158-L162 HydrophobicContact CD2-CB 3.87Å; Y158-L162 HydrophobicContact CD2-CD1 4.35Å; Y158-L162 HydrophobicContact CE2-CB 4.06Å; Y158-L162 PolarHBondContact O-N 3.43Å; Y158-L162 VanDerWaalsContact O-N 3.16Å; L162-V164 PolarHBondContact O-N 3.3Å; L162-E165 PolarHBondContact O-N 3.49Å; L162-W166 WeakPolarHBondContact O-CB 3.38Å; L162-W166 PolarHBondContact O-N 2.93Å
163C98.7Very high98.4Very high0 Ų060 Ų600%028%0.282CS..Hα-helixtrans-59.8-49.4179-172.40000111.2M4 C100 Y158 G161 L167M4-C163 HydrophobicContact CE-CB 4.24Å; M4-C163 WeakPolarHBondContact CE-O 3.14Å; M4-C163 VanDerWaalsContact CE-SG 3.59Å; C100-C163 HydrophobicContact CB-CB 3.91Å; C100-C163 WeakPolarHBondContact CB-SG 3.48Å; C100-C163 PolarHBondContact N-SG 3.18Å; C100-C163 WeakPolarHBondContact SG-CB 3.46Å; C100-C163 PolarHBondContact SG-O 2.82Å; C100-C163 CovalentContact SG-SG 2.05Å; C100-C163 PolarHBondContact SG-SG 3.24Å; Y158-C163 HydrophobicContact CD1-CB 4.28Å; Y158-C163 HydrophobicContact CE1-CB 3.79Å; Y158-C163 WeakPolarHBondContact O-CB 3.31Å; Y158-C163 PolarHBondContact O-N 3.31Å; G161-C163 VanDerWaalsContact C-N 3.29Å; G161-C163 PolarHBondContact O-N 2.78Å; C163-L167 WeakPolarHBondContact O-CB 3.45Å; C163-L167 PolarHBondContact O-N 2.89Å
164V98.8Very high98.4Very high8 Ų854.9 Ų54.95%0.04826%0.26CS..Hα-helixtrans-66.9-41.9180172.80000111.1C100 V102 G106 L108 L159 G161 L162 L167 R168C100-V164 HydrophobicContact CB-CG2 4.28Å; V102-V164 HydrophobicContact CG1-CB 4.45Å; V102-V164 HydrophobicContact CG1-CG1 4.04Å; V102-V164 HydrophobicContact CG1-CG2 3.96Å; G106-V164 WeakPolarHBondContact O-CG1 3.35Å; L108-V164 HydrophobicContact CB-CG2 4.07Å; L108-V164 HydrophobicContact CD1-CG2 3.81Å; L159-V164 WeakPolarHBondContact O-CG2 3.27Å; G161-V164 PolarHBondContact O-N 3.19Å; G161-V164 VanDerWaalsContact O-N 3.09Å; L162-V164 PolarHBondContact O-N 3.3Å; V164-L167 PolarHBondContact O-N 2.72Å; V164-R168 VanDerWaalsContact O-CG 3.3Å; V164-R168 WeakPolarHBondContact O-CG 3.48Å; V164-R168 PolarHBondContact O-N 2.99Å
165E98.5Very high98.4Very high120 Ų12053.9 Ų53.956%0.56125%0.253SS*.Hα-helixtrans-60.2-48.2177.4-71.8175-177.800112G161 L162 R168 R169G161-E165 WeakPolarHBondContact O-CG 3.33Å; G161-E165 PolarHBondContact O-N 3.45Å; L162-E165 PolarHBondContact O-N 3.49Å; E165-R168 PolarHBondContact O-N 3.1Å; E165-R169 PolarHBondContact O-N 2.71Å
166W98.5Very high98.3Very high65 Ų6559.9 Ų59.925%0.24628%0.28CS..Hα-helixtrans-67.4-41.4178.1-81.9107.7000112.2M4 Y58 L162 R168 R169 H170M4-W166 HydrophobicContact CE-CB 4.02Å; M4-W166 HydrophobicContact SD-CB 4.39Å; Y58-W166 AromaticContact CD2-CH2 3.6Å; Y58-W166 HydrophobicContact CD2-CH2 3.6Å; Y58-W166 HydrophobicContact CD2-CZ2 4.15Å; Y58-W166 AromaticContact CD2-CZ3 3.91Å; Y58-W166 HydrophobicContact CD2-CZ3 3.91Å; Y58-W166 HydrophobicContact CE2-CE3 4.28Å; Y58-W166 AromaticContact CE2-CH2 3.97Å; Y58-W166 HydrophobicContact CE2-CH2 3.97Å; Y58-W166 HydrophobicContact CE2-CZ2 4.42Å; Y58-W166 AromaticContact CE2-CZ3 3.87Å; Y58-W166 HydrophobicContact CE2-CZ3 3.87Å; L162-W166 WeakPolarHBondContact O-CB 3.38Å; L162-W166 PolarHBondContact O-N 2.93Å; W166-R168 VanDerWaalsContact C-N 3.34Å; W166-R168 PolarHBondContact O-N 2.82Å; W166-R169 PolarHBondContact O-N 3.28Å; W166-H170 AromaticContact CE3-CE1 3.55Å; W166-H170 AromaticContact CE3-NE2 3.94Å; W166-H170 PolarHBondContact O-CD2 3.39Å; W166-H170 PolarHBondContact O-N 2.94Å
167L98.8Very high98.1Very high0 Ų056.8 Ų56.80%027%0.273CS..Hα-helixtrans-58.4-46.3175.2174.552.9000111.2H2 M4 V27 V102 C163 V164 R169 H170 L171H2-L167 HydrophobicContact CB-CD1 4.35Å; M4-L167 HydrophobicContact CB-CB 4Å; M4-L167 HydrophobicContact CB-CD1 3.99Å; M4-L167 HydrophobicContact CB-CD2 4.11Å; M4-L167 HydrophobicContact CB-CG 4.24Å; M4-L167 HydrophobicContact CE-CB 4.42Å; M4-L167 HydrophobicContact SD-CB 4.44Å; V27-L167 HydrophobicContact CG1-CD1 3.6Å; V27-L167 HydrophobicContact CG2-CD1 4.21Å; V102-L167 HydrophobicContact CB-CD2 4.36Å; V102-L167 HydrophobicContact CG1-CD2 3.95Å; V102-L167 HydrophobicContact CG2-CD2 3.58Å; V102-L167 HydrophobicContact CG2-CG 4.24Å; C163-L167 WeakPolarHBondContact O-CB 3.45Å; C163-L167 PolarHBondContact O-N 2.89Å; V164-L167 PolarHBondContact O-N 2.72Å; L167-R169 VanDerWaalsContact C-N 3.35Å; L167-R169 PolarHBondContact O-N 2.9Å; L167-H170 PolarHBondContact O-N 2.8Å; L167-L171 HydrophobicContact CD1-CD1 3.91Å; L167-L171 HydrophobicContact CD1-CD2 4.43Å; L167-L171 HydrophobicContact CD1-CG 3.91Å; L167-L171 HydrophobicContact CG-CD1 4.04Å; L167-L171 HydrophobicContact CG-CG 4.48Å; L167-L171 VanDerWaalsContact O-CG 3.28Å; L167-L171 WeakPolarHBondContact O-CG 3.34Å; L167-L171 PolarHBondContact O-N 2.88Å
168R98.5Very high98.1Very high118 Ų11853.9 Ų53.945%0.44525%0.249SC..Hα-helixtrans-59.9-43.7176-72.1174.5-175.7-178.93.4112.2G106 V164 E165 W166 L171 E172G106-R168 PolarHBondContact O-NE 3.49Å; G106-R168 PolarHBondContact O-NH2 3.06Å; V164-R168 VanDerWaalsContact O-CG 3.3Å; V164-R168 WeakPolarHBondContact O-CG 3.48Å; V164-R168 PolarHBondContact O-N 2.99Å; E165-R168 PolarHBondContact O-N 3.1Å; W166-R168 VanDerWaalsContact C-N 3.34Å; W166-R168 PolarHBondContact O-N 2.82Å; R168-L171 PolarHBondContact O-N 3.03Å; R168-E172 PolarHBondContact O-N 2.96Å
169R98.3Very high98Very high113 Ų11356.4 Ų56.443%0.42626%0.263SS..Hα-helixtrans-60.7-45.2175.9177.3176.917294.9-6.1111.5E54 E165 W166 L167 E172 N173E54-R169 IonicContact OE1-CZ 2.68Å; E54-R169 IonicContact OE1-NE 3.85Å; E54-R169 PolarHBondContact OE1-NE 3.43Å; E54-R169 IonicContact OE1-NH2 2.84Å; E54-R169 PolarHBondContact OE1-NH2 2.76Å; E54-R169 IonicContact OE2-CZ 3.14Å; E54-R169 IonicContact OE2-NE 3.71Å; E54-R169 PolarHBondContact OE2-NE 3.12Å; E54-R169 IonicContact OE2-NH2 2.75Å; E54-R169 PolarHBondContact OE2-NH2 3.38Å; E165-R169 PolarHBondContact O-N 2.71Å; W166-R169 PolarHBondContact O-N 3.28Å; L167-R169 VanDerWaalsContact C-N 3.35Å; L167-R169 PolarHBondContact O-N 2.9Å; R169-E172 PolarHBondContact O-N 2.94Å; R169-N173 WeakPolarHBondContact O-CB 3.39Å; R169-N173 PolarHBondContact O-N 2.88Å; R169-N173 PolarHBondContact O-ND2 3.45Å; R169-N173 PolarHBondContact O-OD1 3.33Å
170H98.5Very high97.9Very high0 Ų061.7 Ų61.70%028%0.283CS..Hα-helixtrans-64.4-40.1178.3-64.5-23.7000112.1V27 F32 W50 I51 W166 L167 E172 N173 G174 L178V27-H170 HydrophobicContact CG2-CB 4.1Å; F32-H170 AromaticContact CE2-NE2 3.77Å; W50-H170 HydrophobicContact CE3-CB 4.31Å; W50-H170 HydrophobicContact CH2-CB 4Å; W50-H170 HydrophobicContact CZ3-CB 3.63Å; W50-H170 AromaticContact CZ3-CG 3.54Å; W50-H170 AromaticContact CZ3-ND1 3.67Å; I51-H170 WeakPolarHBondContact CD1-CE1 3.17Å; W166-H170 AromaticContact CE3-CE1 3.55Å; W166-H170 AromaticContact CE3-NE2 3.94Å; W166-H170 PolarHBondContact O-CD2 3.39Å; W166-H170 PolarHBondContact O-N 2.94Å; L167-H170 PolarHBondContact O-N 2.8Å; H170-E172 VanDerWaalsContact C-N 3.34Å; H170-E172 PolarHBondContact O-N 3.24Å; H170-N173 PolarHBondContact O-N 3.17Å; H170-G174 WeakPolarHBondContact O-CA 3.4Å; H170-G174 PolarHBondContact O-N 3.31Å; H170-L178 WeakPolarHBondContact O-CD1 3.41Å
171L98.5Very high97.9Very high14 Ų1458.9 Ų58.97%0.07328%0.275CS..Hα-helixtrans-63-37.2175.5-71.2169.5000112.9H2 V27 L167 R168 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.74Å; H2-L171 HydrophobicContact CB-CD2 3.98Å; H2-L171 HydrophobicContact CB-CG 4.43Å; H2-L171 VanDerWaalsContact CG-CD2 3.47Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.5Å; V27-L171 HydrophobicContact CG1-CD2 4.11Å; L167-L171 HydrophobicContact CD1-CD1 3.91Å; L167-L171 HydrophobicContact CD1-CD2 4.43Å; L167-L171 HydrophobicContact CD1-CG 3.91Å; L167-L171 HydrophobicContact CG-CD1 4.04Å; L167-L171 HydrophobicContact CG-CG 4.48Å; L167-L171 VanDerWaalsContact O-CG 3.28Å; L167-L171 WeakPolarHBondContact O-CG 3.34Å; L167-L171 PolarHBondContact O-N 2.88Å; R168-L171 PolarHBondContact O-N 3.03Å; L171-K175 VanDerWaalsContact O-CA 3.25Å; L171-K175 WeakPolarHBondContact O-CA 3.38Å; L171-K175 WeakPolarHBondContact O-CB 3.25Å; L171-K175 PolarHBondContact O-N 3.42Å; L171-K175 VanDerWaalsContact O-N 3.12Å; L171-L178 HydrophobicContact CD2-CB 4.07Å; L171-L178 HydrophobicContact CD2-CD1 4.37Å; L171-Q179 PolarHBondContact O-NE2 2.85Å
172E98.3Very high97.9Very high105 Ų10559.7 Ų59.749%0.49128%0.275SS..Hα-helixtrans-70.4-48.5174.3-178.655.1-141.900111.2R168 R169 H170 G174 K175R168-E172 PolarHBondContact O-N 2.96Å; R169-E172 PolarHBondContact O-N 2.94Å; H170-E172 VanDerWaalsContact C-N 3.34Å; H170-E172 PolarHBondContact O-N 3.24Å; E172-G174 VanDerWaalsContact C-N 3.3Å; E172-G174 PolarHBondContact O-N 2.8Å; E172-K175 WeakPolarHBondContact O-CG 3.29Å; E172-K175 PolarHBondContact O-N 2.68Å; E172-K175 IonicContact OE1-NZ 3.29Å; E172-K175 PolarHBondContact OE1-NZ 2.78Å
173N98.1Very high97.9Very high47 Ų4759.7 Ų59.725%0.25128%0.278SS..Hα-helixtrans-60.8-39.6-179.8-67.5-10.4000112.2W50 Q53 E54 R169 H170W50-N173 HydrophobicContact CB-CB 4.44Å; Q53-N173 VanDerWaalsContact NE2-CB 3.27Å; Q53-N173 PolarHBondContact NE2-ND2 3.15Å; Q53-N173 PolarHBondContact NE2-OD1 3.08Å; Q53-N173 VanDerWaalsContact NE2-OD1 3.08Å; E54-N173 PolarHBondContact OE1-ND2 2.79Å; R169-N173 WeakPolarHBondContact O-CB 3.39Å; R169-N173 PolarHBondContact O-N 2.88Å; R169-N173 PolarHBondContact O-ND2 3.45Å; R169-N173 PolarHBondContact O-OD1 3.33Å; H170-N173 PolarHBondContact O-N 3.17Å
174G97.9Very high97.9Very high3 Ų360.1 Ų60.13%0.03128%0.281CS..THydrogen-bonded Turntrans-100.813.6-176.200000114.6H170 E172 E176 T177 L178H170-G174 WeakPolarHBondContact O-CA 3.4Å; H170-G174 PolarHBondContact O-N 3.31Å; E172-G174 VanDerWaalsContact C-N 3.3Å; E172-G174 PolarHBondContact O-N 2.8Å; G174-E176 VanDerWaalsContact C-N 3.25Å; G174-E176 PolarHBondContact O-N 2.62Å; G174-E176 VanDerWaalsContact O-N 3.08Å; G174-T177 CarbonylContact O-C 3.54Å; G174-T177 WeakPolarHBondContact O-CA 3.4Å; G174-T177 PolarHBondContact O-N 2.9Å; G174-T177 PolarHBondContact O-OG1 3.36Å; G174-L178 PolarHBondContact O-N 3.03Å
175K97.1Very high97.9Very high103 Ų10367.2 Ų67.245%0.44831%0.311SS..Hα-helixtrans-52-36.5-168.666.6-172.9170.6-162.70115.4L171 E172 T177 Q179L171-K175 VanDerWaalsContact O-CA 3.25Å; L171-K175 WeakPolarHBondContact O-CA 3.38Å; L171-K175 WeakPolarHBondContact O-CB 3.25Å; L171-K175 PolarHBondContact O-N 3.42Å; L171-K175 VanDerWaalsContact O-N 3.12Å; E172-K175 WeakPolarHBondContact O-CG 3.29Å; E172-K175 PolarHBondContact O-N 2.68Å; E172-K175 IonicContact OE1-NZ 3.29Å; E172-K175 PolarHBondContact OE1-NZ 2.78Å; K175-T177 PolarHBondContact O-N 3.45Å; K175-T177 VanDerWaalsContact O-N 3.16Å; K175-Q179 PolarHBondContact O-N 3Å
176E95.9Very high97.9Very high158 Ų15863.2 Ų63.274%0.73830%0.295SS*.Hα-helixtrans-62.4-24179.2-62.3-174.5168.900113.1G174 R180G174-E176 VanDerWaalsContact C-N 3.25Å; G174-E176 PolarHBondContact O-N 2.62Å; G174-E176 VanDerWaalsContact O-N 3.08Å; E176-R180 PolarHBondContact O-NH1 3.32Å
177T95.9Very high97.9Very high43 Ų4363.9 Ų63.926%0.26430%0.301SS..Hα-helixtrans-107.6-65.3178.755.10000110.3G174 K175 Q179 R180 R238G174-T177 CarbonylContact O-C 3.54Å; G174-T177 WeakPolarHBondContact O-CA 3.4Å; G174-T177 PolarHBondContact O-N 2.9Å; G174-T177 PolarHBondContact O-OG1 3.36Å; K175-T177 PolarHBondContact O-N 3.45Å; K175-T177 VanDerWaalsContact O-N 3.16Å; T177-Q179 VanDerWaalsContact C-N 3.29Å; T177-Q179 PolarHBondContact O-N 2.87Å; T177-R180 WeakPolarHBondContact O-CB 3.47Å; T177-R180 PolarHBondContact O-N 2.83Å; T177-R238 VanDerWaalsContact CB-NH1 3.28Å; T177-R238 PolarHBondContact O-NH1 2.82Å; T177-R238 PolarHBondContact O-NH2 2.95Å
178L97Very high97.9Very high4 Ų465 Ų652%0.02131%0.307CS..Hα-helixtrans-62.5-29.4-168.6-62.3174.2000114.3V27 T30 W50 H170 L171 G174V27-L178 HydrophobicContact CB-CD1 4.29Å; V27-L178 HydrophobicContact CB-CD2 4.16Å; V27-L178 HydrophobicContact CG1-CD1 3.93Å; V27-L178 HydrophobicContact CG1-CD2 4.08Å; T30-L178 HydrophobicContact CG2-CD2 4.06Å; W50-L178 HydrophobicContact CD2-CD1 4.38Å; W50-L178 HydrophobicContact CH2-CD1 4.37Å; W50-L178 HydrophobicContact CZ2-CD1 3.83Å; W50-L178 HydrophobicContact CZ2-CD2 4.16Å; W50-L178 HydrophobicContact CZ2-CG 4.42Å; H170-L178 WeakPolarHBondContact O-CD1 3.41Å; L171-L178 HydrophobicContact CD2-CB 4.07Å; L171-L178 HydrophobicContact CD2-CD1 4.37Å; G174-L178 PolarHBondContact O-N 3.03Å
179Q96.5Very high97.9Very high110 Ų11060.9 Ų60.951%0.51430%0.296SS..THydrogen-bonded Turntrans-97.910178.6-57.9-176.638.600112.8L171 K175 T177L171-Q179 PolarHBondContact O-NE2 2.85Å; K175-Q179 PolarHBondContact O-N 3Å; T177-Q179 VanDerWaalsContact C-N 3.29Å; T177-Q179 PolarHBondContact O-N 2.87Å
180R97.4Very high97.9Very high111 Ų11157.8 Ų57.842%0.41929%0.286SS..  trans-107.5119.2178.4-168.7-17676.6-139.75.3110.2E176 T177 D182 Y208E176-R180 PolarHBondContact O-NH1 3.32Å; T177-R180 WeakPolarHBondContact O-CB 3.47Å; T177-R180 PolarHBondContact O-N 2.83Å; R180-D182 IonicContact CZ-OD1 3.57Å; R180-D182 IonicContact CZ-OD2 3.75Å; R180-D182 IonicContact NE-OD1 2.79Å; R180-D182 PolarHBondContact NE-OD1 2.96Å; R180-D182 IonicContact NE-OD2 3.59Å; R180-D182 IonicContact NH2-OD1 3.47Å; R180-D182 PolarHBondContact NH2-OD1 3.43Å; R180-D182 IonicContact NH2-OD2 2.99Å; R180-D182 PolarHBondContact NH2-OD2 2.79Å; R180-Y208 WeakPolarHBondContact O-CD1 3.38Å
181A98.3Very high97.9Very high31 Ų3161.6 Ų61.626%0.25630%0.303SS..  trans-86126166.500000109.8Y208 E263A181-Y208 CarbonylContact C-O 3.56Å; A181-Y208 VanDerWaalsContact CA-O 3.28Å; A181-Y208 WeakPolarHBondContact CA-O 3.37Å; A181-E263 HydrophobicContact CB-CG 3.95Å; A181-E263 WeakPolarHBondContact CB-OE1 3.12Å
182D98.4Very high97.7Very high37 Ų3765.7 Ų65.720%0.19833%0.331CS..BIsolated β-bridgetrans-97.7114.6174.2-67.3-35000107.6R180 F207 Y208 H262R180-D182 IonicContact CZ-OD1 3.57Å; R180-D182 IonicContact CZ-OD2 3.75Å; R180-D182 IonicContact NE-OD1 2.79Å; R180-D182 PolarHBondContact NE-OD1 2.96Å; R180-D182 IonicContact NE-OD2 3.59Å; R180-D182 IonicContact NH2-OD1 3.47Å; R180-D182 PolarHBondContact NH2-OD1 3.43Å; R180-D182 IonicContact NH2-OD2 2.99Å; R180-D182 PolarHBondContact NH2-OD2 2.79Å; D182-F207 CarbonylContact O-C 3.57Å; D182-F207 WeakPolarHBondContact O-CA 3.43Å; D182-F207 WeakPolarHBondContact O-CB 3.38Å; D182-Y208 PolarHBondContact N-O 3.29Å; D182-Y208 PolarHBondContact O-N 3.24Å; D182-H262 PolarHBondContact O-CE1 2.8Å
183P98.6Very high97.5Very high64 Ų6465 Ų6542%0.41633%0.334SS..  trans-70.7149.9-176.225.9-33000112.6K185 L265P183-K185 PolarHBondContact O-N 3.01Å; P183-L265 HydrophobicContact CB-CD2 3.9Å; P183-L265 HydrophobicContact CB-CG 4.43Å
184P98.8Very high97.3Very high8 Ų865.3 Ų65.35%0.05234%0.339CS..  trans-67.4132.8179.628.4-35.7000112T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 3.96Å; P184-T186 HydrophobicContact CG-CG2 4.16Å; P184-T186 PolarHBondContact O-N 3.16Å; P184-A204 HydrophobicContact CB-CB 3.85Å; P184-F207 HydrophobicContact CB-CB 3.85Å; P184-F207 HydrophobicContact CB-CD1 3.96Å; P184-F207 HydrophobicContact CB-CG 4.17Å; P184-I212 HydrophobicContact CB-CD1 3.98Å; P184-I212 HydrophobicContact CG-CD1 4.05Å; P184-V260 HydrophobicContact CG-CG1 3.92Å; P184-H262 HydrophobicContact CG-CB 4.03Å; P184-L265 HydrophobicContact CG-CD1 3.91Å; P184-L265 HydrophobicContact CG-CD2 4.46Å; P184-L265 HydrophobicContact CG-CG 4.25Å
185K98.8Very high97Very high158 Ų15872.4 Ų72.469%0.68738%0.376SS*.EExtended strand (participates in β ladder)trans-77.7114.3162.5-64.9171.4-175.3169.20107.8P183 L205P183-K185 PolarHBondContact O-N 3.01Å; K185-L205 PolarHBondContact N-O 2.74Å; K185-L205 PolarHBondContact O-N 3.01Å
186T98.8Very high96.9Very high36 Ų3674.3 Ų74.322%0.22139%0.387CS..EExtended strand (participates in β ladder)trans-114.3142.6-171.651.20000112.1P184 W203 A204 V260 L269P184-T186 HydrophobicContact CB-CG2 3.96Å; P184-T186 HydrophobicContact CG-CG2 4.16Å; P184-T186 PolarHBondContact O-N 3.16Å; T186-W203 WeakPolarHBondContact CA-O 3.34Å; T186-A204 HydrophobicContact CG2-CB 4.29Å; T186-V260 HydrophobicContact CG2-CB 4.34Å; T186-V260 HydrophobicContact CG2-CG1 4.05Å; T186-V260 HydrophobicContact CG2-CG2 3.98Å; T186-L269 HydrophobicContact CG2-CD1 4.36Å; T186-L269 WeakPolarHBondContact OG1-CD1 3.38Å
187H98.6Very high96.9Very high79 Ų7971.1 Ų71.137%0.36637%0.372SS..EExtended strand (participates in β ladder)trans-159.1159.9172.363.3-77000110.1W203H187-W203 VanDerWaalsContact CE1-CB 3.45Å; H187-W203 WeakPolarHBondContact CE1-CB 3.5Å; H187-W203 AromaticContact CE1-CG 3.75Å; H187-W203 PolarHBondContact N-O 3.44Å; H187-W203 AromaticContact NE2-CD1 3.55Å; H187-W203 AromaticContact NE2-CG 3.75Å; H187-W203 PolarHBondContact O-N 3.24Å
188V98.8Very high97Very high22 Ų2269 Ų6913%0.13336%0.359CS..EExtended strand (participates in β ladder)trans-111.3130.3175.5-179.60000108.9L200 R201 C202 W216 L271 W273V188-L200 HydrophobicContact CG1-CB 4.37Å; V188-L200 HydrophobicContact CG1-CD2 4.43Å; V188-R201 CarbonylContact C-O 3.53Å; V188-R201 WeakPolarHBondContact CA-O 3.34Å; V188-C202 HydrophobicContact CG2-CB 4.48Å; V188-W216 HydrophobicContact CG1-CH2 3.86Å; V188-W216 HydrophobicContact CG1-CZ2 4.24Å; V188-W216 HydrophobicContact CG2-CH2 4.22Å; V188-L271 HydrophobicContact CG2-CB 3.86Å; V188-W273 HydrophobicContact CG1-CB 3.92Å
189T98.5Very high97.1Very high33 Ų3369.9 Ų69.920%0.20237%0.365CS..EExtended strand (participates in β ladder)trans-106.3147.917165.40000110.4H191 L200 R201T189-H191 PolarHBondContact OG1-NE2 3.39Å; T189-L200 WeakPolarHBondContact O-CA 3.22Å; T189-R201 PolarHBondContact N-O 2.99Å; T189-R201 PolarHBondContact O-N 3.14Å
190H98Very high97.2Very high48 Ų4864.7 Ų64.722%0.22234%0.34CS..EExtended strand (participates in β ladder)trans-118.7127.8179.4170.6-92.5000109.6A198 T199 L200 E253 W273H190-A198 WeakPolarHBondContact NE2-CB 3.47Å; H190-T199 WeakPolarHBondContact CA-O 3.45Å; H190-L200 HydrophobicContact CB-CD2 4.07Å; H190-E253 IonicContact NE2-OE1 3.93Å; H190-W273 HydrophobicContact CB-CD2 3.84Å; H190-W273 VanDerWaalsContact CB-CE2 3.44Å; H190-W273 HydrophobicContact CB-CG 3.96Å; H190-W273 HydrophobicContact CB-CZ2 3.95Å; H190-W273 VanDerWaalsContact CB-NE1 3.32Å; H190-W273 AromaticContact CG-CE2 3.71Å; H190-W273 AromaticContact CG-CZ2 3.77Å; H190-W273 AromaticContact ND1-CZ2 3.84Å
191H96.9Very high97.2Very high79 Ų7962 Ų6237%0.36633%0.33SS..EExtended strand (participates in β ladder)trans-129.5104.9-178.8-57.7-74.2000109.6T189 V193 A198 T199 R201T189-H191 PolarHBondContact OG1-NE2 3.39Å; H191-V193 PolarHBondContact O-N 3.01Å; H191-A198 CarbonylContact O-C 3.56Å; H191-A198 WeakPolarHBondContact O-CA 3.35Å; H191-T199 PolarHBondContact N-O 3.13Å; H191-T199 PolarHBondContact O-N 2.84Å; H191-R201 PolarHBondContact CD2-NH1 3.24Å; H191-R201 PolarHBondContact NE2-NH1 2.97Å
192P95.8Very high97.3Very high100 Ų10060.5 Ų60.565%0.64932%0.318SS*.EExtended strand (participates in β ladder)trans-57.2131172.5-21.731.8000110.8
193V93.9Very high97.3Very high92 Ų9261 Ų6156%0.55832%0.317SS*.  trans-105.9-40.9176.8-179.10000110.1H191 E197 T199H191-V193 PolarHBondContact O-N 3.01Å; V193-E197 PolarHBondContact N-O 2.96Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.42Å
194S94.2Very high97.3Very high52 Ų5257.9 Ų57.936%0.36430%0.297SS..SBendtrans-148-178.7175.272.70000110.5H196 E197S194-H196 PolarHBondContact O-N 2.94Å; S194-H196 VanDerWaalsContact O-N 3.15Å; S194-H196 PolarHBondContact OG-N 2.96Å; S194-E197 PolarHBondContact N-O 2.68Å; S194-E197 VanDerWaalsContact O-O 3.12Å; S194-E197 PolarHBondContact OG-N 3.43Å
195D91.8Very high97.3Very high152 Ų15260.1 Ų60.181%0.81331%0.308SS*.SBendtrans-64.8-11.3172.7-65.9-20000113.4
196H94.5Very high97.3Very high144 Ų14453.7 Ų53.767%0.66729%0.287SS*.SBendtrans-115.8-15.1-175.5-56.5-44.7000113.4S194 P249 S250S194-H196 PolarHBondContact O-N 2.94Å; S194-H196 VanDerWaalsContact O-N 3.15Å; S194-H196 PolarHBondContact OG-N 2.96Å; H196-P249 CarbonylContact O-C 3.55Å; H196-P249 VanDerWaalsContact O-CA 3.31Å; H196-P249 WeakPolarHBondContact O-CA 3.4Å; H196-S250 VanDerWaalsContact C-OG 3.26Å; H196-S250 PolarHBondContact O-N 2.98Å
197E96.1Very high97.3Very high90 Ų9052 Ų5242%0.42128%0.276SS..EExtended strand (participates in β ladder)trans-144.2145.1-169.9-66.3-179.1157.600112.6V193 S194 V247 V248 S250V193-E197 PolarHBondContact N-O 2.96Å; S194-E197 PolarHBondContact N-O 2.68Å; S194-E197 VanDerWaalsContact O-O 3.12Å; S194-E197 PolarHBondContact OG-N 3.43Å; E197-V247 HydrophobicContact CB-CG1 3.99Å; E197-V247 HydrophobicContact CG-CG1 4.2Å; E197-V248 VanDerWaalsContact CA-O 3.31Å; E197-V248 WeakPolarHBondContact CA-O 3.4Å; E197-S250 PolarHBondContact N-OG 2.85Å
198A97.4Very high97.3Very high0 Ų048.3 Ų48.30%026%0.259CS..EExtended strand (participates in β ladder)trans-134.5155.6170.200000110.9H190 H191 V247 V248H190-A198 WeakPolarHBondContact NE2-CB 3.47Å; H191-A198 CarbonylContact O-C 3.56Å; H191-A198 WeakPolarHBondContact O-CA 3.35Å; A198-V247 WeakPolarHBondContact O-CA 3.28Å; A198-V248 PolarHBondContact N-O 3.37Å; A198-V248 PolarHBondContact O-N 2.93Å
199T98.4Very high97.3Very high22 Ų2248 Ų4814%0.13526%0.258CS..EExtended strand (participates in β ladder)trans-94.6123.9169.7-54.80000109.7H190 H191 V193 A245 V246H190-T199 WeakPolarHBondContact CA-O 3.45Å; H191-T199 PolarHBondContact N-O 3.13Å; H191-T199 PolarHBondContact O-N 2.84Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.42Å; T199-A245 HydrophobicContact CG2-CB 3.88Å; T199-V246 WeakPolarHBondContact CA-O 3.3Å
200L98.7Very high97.3Very high0 Ų047.4 Ų47.40%026%0.256CS..EExtended strand (participates in β ladder)trans-94124.6163.6-62.1-176.1000108.8V188 T189 H190 W216 A245 V246 V248 E253 Y256 W273V188-L200 HydrophobicContact CG1-CB 4.37Å; V188-L200 HydrophobicContact CG1-CD2 4.43Å; T189-L200 WeakPolarHBondContact O-CA 3.22Å; H190-L200 HydrophobicContact CB-CD2 4.07Å; L200-W216 HydrophobicContact CB-CH2 3.66Å; L200-W216 HydrophobicContact CB-CZ2 3.73Å; L200-W216 HydrophobicContact CB-CZ3 4.44Å; L200-W216 HydrophobicContact CD1-CH2 3.99Å; L200-W216 HydrophobicContact CD1-CZ3 4.14Å; L200-W216 HydrophobicContact CG-CH2 4.47Å; L200-A245 CarbonylContact O-C 3.58Å; L200-A245 WeakPolarHBondContact O-CA 3.45Å; L200-V246 HydrophobicContact CB-CG2 4.2Å; L200-V246 PolarHBondContact N-O 2.97Å; L200-V246 PolarHBondContact O-N 3.34Å; L200-V248 HydrophobicContact CD1-CG1 3.99Å; L200-V248 HydrophobicContact CD1-CG2 4.07Å; L200-V248 HydrophobicContact CG-CG1 4.13Å; L200-V248 HydrophobicContact CG-CG2 3.86Å; L200-E253 HydrophobicContact CD1-CB 4.2Å; L200-E253 HydrophobicContact CD2-CG 4.32Å; L200-Y256 HydrophobicContact CD1-CG 4.48Å; L200-W273 HydrophobicContact CD2-CB 3.9Å; L200-W273 HydrophobicContact CD2-CG 4.16Å
201R98.8Very high97.3Very high54 Ų5452 Ų5220%0.20428%0.277CS..EExtended strand (participates in β ladder)trans-119.7117.6176.7-175.8178.7-66114.80110.4V188 T189 H191 W203 W243 A245V188-R201 CarbonylContact C-O 3.53Å; V188-R201 WeakPolarHBondContact CA-O 3.34Å; T189-R201 PolarHBondContact N-O 2.99Å; T189-R201 PolarHBondContact O-N 3.14Å; H191-R201 PolarHBondContact CD2-NH1 3.24Å; H191-R201 PolarHBondContact NE2-NH1 2.97Å; R201-W203 VanDerWaalsContact CD-CZ2 3.41Å; R201-W203 VanDerWaalsContact CD-NE1 3.34Å; R201-W203 HydrophobicContact CG-CZ2 4.45Å; R201-W243 HydrophobicContact CG-CB 3.96Å; R201-W243 HydrophobicContact CG-CD2 4.12Å; R201-W243 HydrophobicContact CG-CE3 3.94Å; R201-W243 HydrophobicContact CG-CG 4.18Å; R201-A245 HydrophobicContact CB-CB 4.12Å; R201-A245 HydrophobicContact CG-CB 4.19Å
202C98.8Very high97.4Very high0 Ų048.8 Ų48.80%026%0.263CS..EExtended strand (participates in β ladder)trans-90.7121.4174.5-1730000109.8V188 W216 W243 A244 C258V188-C202 HydrophobicContact CG2-CB 4.48Å; C202-W216 HydrophobicContact CB-CZ2 3.68Å; C202-W243 CarbonylContact O-C 3.58Å; C202-W243 WeakPolarHBondContact O-CA 3.02Å; C202-W243 VanDerWaalsContact O-CB 3.26Å; C202-W243 WeakPolarHBondContact O-CB 3.26Å; C202-A244 PolarHBondContact N-O 2.9Å; C202-A244 PolarHBondContact O-N 2.86Å; C202-C258 HydrophobicContact CB-CB 3.49Å; C202-C258 VanDerWaalsContact CB-CB 3.49Å; C202-C258 WeakPolarHBondContact CB-SG 3.38Å; C202-C258 WeakPolarHBondContact SG-CB 3.17Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 2.89Å
203W98.8Very high97.5Very high47 Ų4746.7 Ų46.718%0.17825%0.248CC..EExtended strand (participates in β ladder)trans-102.6142179.5-71.490.2000111.1T186 H187 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.34Å; H187-W203 VanDerWaalsContact CE1-CB 3.45Å; H187-W203 WeakPolarHBondContact CE1-CB 3.5Å; H187-W203 AromaticContact CE1-CG 3.75Å; H187-W203 PolarHBondContact N-O 3.44Å; H187-W203 AromaticContact NE2-CD1 3.55Å; H187-W203 AromaticContact NE2-CG 3.75Å; H187-W203 PolarHBondContact O-N 3.24Å; R201-W203 VanDerWaalsContact CD-CZ2 3.41Å; R201-W203 VanDerWaalsContact CD-NE1 3.34Å; R201-W203 HydrophobicContact CG-CZ2 4.45Å; W203-L205 HydrophobicContact CE3-CD2 3.84Å; W203-L205 HydrophobicContact CZ3-CD2 4.36Å; W203-W243 HydrophobicContact CD2-CB 3.96Å; W203-W243 HydrophobicContact CD2-CG 4.5Å; W203-W243 HydrophobicContact CE3-CB 3.89Å; W203-W243 AromaticContact CE3-CD1 3.95Å; W203-W243 HydrophobicContact CE3-CG 4.26Å; W203-W243 HydrophobicContact CG-CB 4.41Å; W203-W243 AromaticContact CH2-CD1 3.58Å; W203-W243 HydrophobicContact CH2-CG 4.25Å; W203-W243 HydrophobicContact CZ2-CG 4.47Å; W203-W243 HydrophobicContact CZ3-CB 4.28Å; W203-W243 AromaticContact CZ3-CD1 3.45Å; W203-W243 VanDerWaalsContact CZ3-CD1 3.45Å; W203-W243 HydrophobicContact CZ3-CG 4.15Å
204A98.9Very high97.7Very high0 Ų042.7 Ų42.70%022%0.224CC..EExtended strand (participates in β ladder)trans-125.3122.8162.100000108.1P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.85Å; T186-A204 HydrophobicContact CG2-CB 4.29Å; A204-F207 HydrophobicContact CB-CD1 4.05Å; A204-F207 HydrophobicContact CB-CE1 3.84Å; A204-F207 WeakPolarHBondContact O-CE1 3.32Å; A204-I212 HydrophobicContact CB-CD1 3.61Å; A204-L214 HydrophobicContact CB-CD1 3.96Å; A204-L214 HydrophobicContact CB-CD2 4.07Å; A204-L214 HydrophobicContact CB-CG 4.47Å; A204-Q241 VanDerWaalsContact O-CA 3.3Å; A204-Q241 WeakPolarHBondContact O-CA 3.19Å; A204-K242 PolarHBondContact N-O 2.81Å; A204-K242 PolarHBondContact O-N 2.83Å; A204-K242 VanDerWaalsContact O-O 3.12Å
205L98.8Very high97.9Very high54 Ų5442.1 Ų42.128%0.28322%0.218SC..EExtended strand (participates in β ladder)trans-130149-175.3-59.2177.4000111K185 W203 F207 Q241K185-L205 PolarHBondContact N-O 2.74Å; K185-L205 PolarHBondContact O-N 3.01Å; W203-L205 HydrophobicContact CE3-CD2 3.84Å; W203-L205 HydrophobicContact CZ3-CD2 4.36Å; L205-F207 VanDerWaalsContact C-N 3.32Å; L205-F207 PolarHBondContact O-N 3.22Å; L205-Q241 HydrophobicContact CD2-CB 3.58Å
206G98.5Very high98.3Very high23 Ų2335 Ų3524%0.23718%0.18CC..EExtended strand (participates in β ladder)trans70.227.7167.600000113.9T239 F240G206-T239 WeakPolarHBondContact CA-OG1 3.45Å; G206-F240 PolarHBondContact N-O 3.1Å
207F98.8Very high98.5Very high0 Ų030 Ų300%016%0.157CC..EExtended strand (participates in β ladder)trans-99.1153-179.360.7-88.7000112.7D182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262D182-F207 CarbonylContact O-C 3.57Å; D182-F207 WeakPolarHBondContact O-CA 3.43Å; D182-F207 WeakPolarHBondContact O-CB 3.38Å; P184-F207 HydrophobicContact CB-CB 3.85Å; P184-F207 HydrophobicContact CB-CD1 3.96Å; P184-F207 HydrophobicContact CB-CG 4.17Å; A204-F207 HydrophobicContact CB-CD1 4.05Å; A204-F207 HydrophobicContact CB-CE1 3.84Å; A204-F207 WeakPolarHBondContact O-CE1 3.32Å; L205-F207 VanDerWaalsContact C-N 3.32Å; L205-F207 PolarHBondContact O-N 3.22Å; F207-P209 VanDerWaalsContact CD2-O 3.3Å; F207-P209 WeakPolarHBondContact CD2-O 3.5Å; F207-I212 HydrophobicContact CD1-CD1 3.84Å; F207-I212 HydrophobicContact CD2-CB 4.23Å; F207-I212 HydrophobicContact CD2-CD1 3.94Å; F207-I212 HydrophobicContact CE1-CD1 3.77Å; F207-I212 HydrophobicContact CE1-CG2 4.45Å; F207-I212 HydrophobicContact CE2-CB 3.74Å; F207-I212 HydrophobicContact CE2-CD1 3.9Å; F207-I212 HydrophobicContact CE2-CG1 4.4Å; F207-I212 HydrophobicContact CE2-CG2 3.58Å; F207-I212 HydrophobicContact CG-CD1 3.94Å; F207-I212 HydrophobicContact CZ-CB 4.13Å; F207-I212 HydrophobicContact CZ-CD1 3.84Å; F207-I212 HydrophobicContact CZ-CG2 3.56Å; F207-T232 HydrophobicContact CE2-CG2 4.06Å; F207-T232 HydrophobicContact CZ-CG2 3.88Å; F207-T239 CarbonylContact O-C 3.55Å; F207-T239 WeakPolarHBondContact O-CA 3.47Å; F207-F240 VanDerWaalsContact CD1-O 3.28Å; F207-F240 WeakPolarHBondContact CD1-O 3.43Å; F207-F240 HydrophobicContact CD2-CB 3.94Å; F207-F240 HydrophobicContact CE1-CB 4.22Å; F207-F240 WeakPolarHBondContact CE1-O 3.44Å; F207-F240 HydrophobicContact CE2-CB 3.47Å; F207-F240 VanDerWaalsContact CE2-CB 3.47Å; F207-F240 HydrophobicContact CE2-CG 4.45Å; F207-F240 HydrophobicContact CG-CB 4.45Å; F207-F240 HydrophobicContact CZ-CB 3.62Å; F207-F240 PolarHBondContact N-O 2.9Å; F207-F240 PolarHBondContact O-N 3.19Å; F207-K242 HydrophobicContact CE1-CB 4.34Å; F207-K242 HydrophobicContact CZ-CB 4.1Å; F207-H262 AromaticContact CD2-CD2 3.83Å; F207-H262 AromaticContact CD2-NE2 3.78Å
208Y98.6Very high98.6Very high3 Ų329.1 Ų29.11%0.01215%0.15CC..BIsolated β-bridgetrans-148.7137.3171.6177.7-82.3000108.2D29 T30 R180 A181 D182 R238 F240 H262D29-Y208 HydrophobicContact CB-CE2 3.8Å; T30-Y208 WeakPolarHBondContact OG1-CE2 3.28Å; T30-Y208 PolarHBondContact OG1-OH 2.86Å; R180-Y208 WeakPolarHBondContact O-CD1 3.38Å; A181-Y208 CarbonylContact C-O 3.56Å; A181-Y208 VanDerWaalsContact CA-O 3.28Å; A181-Y208 WeakPolarHBondContact CA-O 3.37Å; D182-Y208 PolarHBondContact N-O 3.29Å; D182-Y208 PolarHBondContact O-N 3.24Å; Y208-R238 VanDerWaalsContact CD1-NH2 3.35Å; Y208-R238 HydrophobicContact CD2-CG 3.84Å; Y208-R238 HydrophobicContact CE2-CG 4.01Å; Y208-R238 VanDerWaalsContact CZ-NH2 3.28Å; Y208-F240 HydrophobicContact CD2-CE2 4.09Å; Y208-H262 PolarHBondContact O-CE1 2.8Å; Y208-H262 PolarHBondContact O-NE2 2.89Å
209P98.4Very high98.5Very high16 Ų1634 Ų3410%0.10418%0.176CC..SBendcis-71-177.40.129.9-37.2000113.6D29 F207 E211 H262 E263D29-P209 WeakPolarHBondContact OD2-CB 3.03Å; F207-P209 VanDerWaalsContact CD2-O 3.3Å; F207-P209 WeakPolarHBondContact CD2-O 3.5Å; P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 2.64Å; P209-H262 PolarHBondContact O-NE2 3.27Å; P209-E263 WeakPolarHBondContact CD-OE1 3.13Å; P209-E263 VanDerWaalsContact CG-CD 3.47Å; P209-E263 HydrophobicContact CG-CG 3.81Å; P209-E263 WeakPolarHBondContact CG-OE1 3.47Å
210A98.4Very high98.3Very high19 Ų1935.2 Ų35.216%0.15719%0.192CC..SBendtrans-70.8-23.7-176.400000113.8D29 I212 T232 F240D29-A210 WeakPolarHBondContact OD2-CB 3.4Å; D29-A210 PolarHBondContact OD2-N 3.13Å; A210-I212 PolarHBondContact O-N 2.91Å; A210-T232 HydrophobicContact CB-CG2 4.3Å; A210-F240 HydrophobicContact CB-CD1 3.77Å; A210-F240 HydrophobicContact CB-CD2 3.78Å; A210-F240 HydrophobicContact CB-CE1 3.68Å; A210-F240 HydrophobicContact CB-CE2 3.7Å; A210-F240 HydrophobicContact CB-CG 3.83Å; A210-F240 HydrophobicContact CB-CZ 3.67Å
211E98.5Very high98.3Very high144 Ų14442.1 Ų42.167%0.67323%0.225SC*.  trans-66.3118-178.9-173.756.8-141.500110.6P209 H262P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 2.64Å; E211-H262 PolarHBondContact O-CD2 3.4Å; E211-H262 VanDerWaalsContact O-CD2 3.31Å
212I98.7Very high98.2Very high12 Ų1244 Ų446%0.06224%0.238CC..  trans-154143.3-178.1-162.8171.6000109.8P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 3.98Å; P184-I212 HydrophobicContact CG-CD1 4.05Å; A204-I212 HydrophobicContact CB-CD1 3.61Å; F207-I212 HydrophobicContact CD1-CD1 3.84Å; F207-I212 HydrophobicContact CD2-CB 4.23Å; F207-I212 HydrophobicContact CD2-CD1 3.94Å; F207-I212 HydrophobicContact CE1-CD1 3.77Å; F207-I212 HydrophobicContact CE1-CG2 4.45Å; F207-I212 HydrophobicContact CE2-CB 3.74Å; F207-I212 HydrophobicContact CE2-CD1 3.9Å; F207-I212 HydrophobicContact CE2-CG1 4.4Å; F207-I212 HydrophobicContact CE2-CG2 3.58Å; F207-I212 HydrophobicContact CG-CD1 3.94Å; F207-I212 HydrophobicContact CZ-CB 4.13Å; F207-I212 HydrophobicContact CZ-CD1 3.84Å; F207-I212 HydrophobicContact CZ-CG2 3.56Å; A210-I212 PolarHBondContact O-N 2.91Å; I212-L214 HydrophobicContact CB-CD1 4.41Å; I212-L214 HydrophobicContact CD1-CD1 3.59Å; I212-L214 HydrophobicContact CG1-CD1 3.6Å; I212-L214 HydrophobicContact CG2-CD1 4.03Å; I212-K242 HydrophobicContact CG2-CB 4.31Å; I212-K242 HydrophobicContact CG2-CD 3.62Å; I212-V260 HydrophobicContact CD1-CG1 4.07Å; I212-V260 HydrophobicContact CG1-CG1 4.35Å; I212-Q261 VanDerWaalsContact CG1-O 3.28Å; I212-Q261 WeakPolarHBondContact CG1-O 3.3Å; I212-H262 HydrophobicContact CD1-CB 4.43Å; I212-H262 HydrophobicContact CG1-CB 4.16Å
213T98.6Very high98.1Very high57 Ų5745.3 Ų45.335%0.3525%0.245SC..EExtended strand (participates in β ladder)trans-113.6122.7172.6-60.60000110T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 4.02Å; T213-V260 WeakPolarHBondContact O-CA 3.31Å; T213-Q261 PolarHBondContact N-O 2.63Å; T213-Q261 PolarHBondContact O-N 3.06Å
214L98.6Very high97.9Very high7 Ų748.3 Ų48.34%0.03727%0.268CS..EExtended strand (participates in β ladder)trans-118.4123.9171.7-85.263.3000108.1A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 3.96Å; A204-L214 HydrophobicContact CB-CD2 4.07Å; A204-L214 HydrophobicContact CB-CG 4.47Å; I212-L214 HydrophobicContact CB-CD1 4.41Å; I212-L214 HydrophobicContact CD1-CD1 3.59Å; I212-L214 HydrophobicContact CG1-CD1 3.6Å; I212-L214 HydrophobicContact CG2-CD1 4.03Å; L214-L229 HydrophobicContact CB-CD1 4.27Å; L214-K242 HydrophobicContact CD1-CD 4.27Å; L214-K242 HydrophobicContact CD2-CB 4.32Å; L214-K242 HydrophobicContact CD2-CG 4.41Å; L214-A244 HydrophobicContact CB-CB 4Å; L214-A244 HydrophobicContact CD2-CB 4.37Å; L214-H259 WeakPolarHBondContact CA-O 3.22Å; L214-V260 HydrophobicContact CD1-CG1 4.14Å; L214-V260 HydrophobicContact CG-CG2 4.35Å
215T98.5Very high97.7Very high40 Ų4057.4 Ų57.425%0.24531%0.311CS..EExtended strand (participates in β ladder)trans-135.9147.7178.349.20000110.7T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 4.02Å; T215-C258 CarbonylContact O-C 3.54Å; T215-C258 WeakPolarHBondContact O-CA 3.28Å; T215-H259 PolarHBondContact N-O 3.27Å; T215-H259 PolarHBondContact O-N 2.92Å; T215-H259 WeakPolarHBondContact OG1-CB 3.45Å
216W98.7Very high97.5Very high2 Ų260.3 Ų60.31%0.00833%0.327CS..EExtended strand (participates in β ladder)trans-103.8137169.1-82.7104.9000109.8V188 L200 C202 Q223 A244 V246 T257 C258V188-W216 HydrophobicContact CG1-CH2 3.86Å; V188-W216 HydrophobicContact CG1-CZ2 4.24Å; V188-W216 HydrophobicContact CG2-CH2 4.22Å; L200-W216 HydrophobicContact CB-CH2 3.66Å; L200-W216 HydrophobicContact CB-CZ2 3.73Å; L200-W216 HydrophobicContact CB-CZ3 4.44Å; L200-W216 HydrophobicContact CD1-CH2 3.99Å; L200-W216 HydrophobicContact CD1-CZ3 4.14Å; L200-W216 HydrophobicContact CG-CH2 4.47Å; C202-W216 HydrophobicContact CB-CZ2 3.68Å; W216-Q223 HydrophobicContact CB-CB 4.35Å; W216-Q223 PolarHBondContact O-N 3.37Å; W216-A244 PolarHBondContact NE1-O 2.81Å; W216-V246 HydrophobicContact CB-CG1 3.68Å; W216-V246 HydrophobicContact CB-CG2 4.36Å; W216-V246 HydrophobicContact CD2-CG1 4.45Å; W216-V246 HydrophobicContact CD2-CG2 3.66Å; W216-V246 HydrophobicContact CE3-CG2 4.08Å; W216-V246 HydrophobicContact CG-CB 4.39Å; W216-V246 HydrophobicContact CG-CG1 3.68Å; W216-V246 HydrophobicContact CG-CG2 3.79Å; W216-V246 HydrophobicContact CZ2-CG2 4.42Å; W216-T257 WeakPolarHBondContact CA-O 3.44Å; W216-C258 HydrophobicContact CD2-CB 4.17Å; W216-C258 HydrophobicContact CE3-CB 4.13Å; W216-C258 HydrophobicContact CH2-CB 4.01Å; W216-C258 HydrophobicContact CZ2-CB 4.05Å; W216-C258 HydrophobicContact CZ3-CB 4.05Å
217Q98.6Very high97.4Very high40 Ų4060.4 Ų60.419%0.18732%0.323CS..EExtended strand (participates in β ladder)trans-118.8144.4170.7-69.4-173.7-11.300110.2E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.54Å; Q217-E221 WeakPolarHBondContact CA-O 3.44Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.41Å; Q217-D222 PolarHBondContact NE2-OD1 3.39Å; Q217-Y256 CarbonylContact O-C 3.59Å; Q217-Y256 VanDerWaalsContact O-CA 3.22Å; Q217-Y256 WeakPolarHBondContact O-CA 3.44Å; Q217-T257 PolarHBondContact N-O 2.98Å; Q217-T257 PolarHBondContact O-N 3.2Å; Q217-H259 PolarHBondContact OE1-CE1 3.33Å; Q217-H259 PolarHBondContact OE1-NE2 2.83Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.15Å
218R98.2Very high97.4Very high72 Ų7265.9 Ų65.927%0.27235%0.349SS..EExtended strand (participates in β ladder)trans-115.9119.5168-176.3-172-176.1178.2-0.9108G220 E221 Q223 E252 R255 Y256R218-G220 PolarHBondContact O-N 3.26Å; R218-E221 PolarHBondContact N-O 3.08Å; R218-E221 PolarHBondContact O-N 3.26Å; R218-Q223 HydrophobicContact CB-CG 3.98Å; R218-E252 IonicContact CZ-OE2 3.46Å; R218-E252 IonicContact NE-OE2 3.59Å; R218-E252 IonicContact NH2-OE1 3.65Å; R218-E252 IonicContact NH2-OE2 3.45Å; R218-E252 PolarHBondContact NH2-OE2 3.38Å; R218-R255 WeakPolarHBondContact CA-O 3.48Å; R218-R255 HydrophobicContact CG-CB 4.43Å; R218-Y256 HydrophobicContact CB-CD1 4.03Å; R218-Y256 HydrophobicContact CB-CE1 3.78Å; R218-Y256 WeakPolarHBondContact CD-OH 3.15Å; R218-Y256 HydrophobicContact CG-CD1 4.38Å; R218-Y256 HydrophobicContact CG-CE1 3.93Å; R218-Y256 HydrophobicContact CG-CE2 4.13Å; R218-Y256 PolarHBondContact NE-OH 2.88Å
219D97Very high97.4Very high103 Ų10370 Ų7055%0.55137%0.37SS*.THydrogen-bonded Turntrans51.428.1-175.2-53.1-48.2000114.1R255D219-R255 PolarHBondContact N-O 3.16Å; D219-R255 WeakPolarHBondContact OD1-CB 3.3Å; D219-R255 IonicContact OD1-NE 3.74Å; D219-R255 PolarHBondContact OD1-NE 2.97Å; D219-R255 IonicContact OD2-CZ 3.28Å; D219-R255 IonicContact OD2-NE 2.63Å; D219-R255 PolarHBondContact OD2-NE 2.88Å; D219-R255 IonicContact OD2-NH2 3.43Å; D219-R255 PolarHBondContact OD2-NH2 3.18Å
220G94.3Very high97.4Very high47 Ų4770.9 Ų70.949%0.48538%0.375SS..THydrogen-bonded Turntrans91.5-1.2-177.500000115.6R218R218-G220 PolarHBondContact O-N 3.26Å
221E97.5Very high97.4Very high144 Ų14478.1 Ų78.167%0.67341%0.406SS*.EExtended strand (participates in β ladder)trans-99.7129.4177.5-63-171.5171.600112.3Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.54Å; Q217-E221 WeakPolarHBondContact CA-O 3.44Å; R218-E221 PolarHBondContact N-O 3.08Å; R218-E221 PolarHBondContact O-N 3.26Å; E221-Q223 PolarHBondContact O-NE2 3.21Å
222D97.3Very high97.4Very high93 Ų9373.3 Ų73.350%0.49739%0.386SS..EExtended strand (participates in β ladder)trans-62.2132.9-178.9-70.3-15.2000112.4Q217Q217-D222 WeakPolarHBondContact CG-OD1 3.41Å; Q217-D222 PolarHBondContact NE2-OD1 3.39Å
223Q97.2Very high97.3Very high28 Ų2877.2 Ų77.213%0.13140%0.4CS..  trans-102.140.7-177.6-57.9-60.1-7300112.1W216 R218 E221 Q225 D226 T227 V246 Y256W216-Q223 HydrophobicContact CB-CB 4.35Å; W216-Q223 PolarHBondContact O-N 3.37Å; R218-Q223 HydrophobicContact CB-CG 3.98Å; E221-Q223 PolarHBondContact O-NE2 3.21Å; Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 2.96Å; Q223-D226 PolarHBondContact O-N 3.37Å; Q223-D226 VanDerWaalsContact O-N 3.16Å; Q223-T227 WeakPolarHBondContact O-CB 3.34Å; Q223-T227 PolarHBondContact O-N 3.15Å; Q223-T227 PolarHBondContact O-OG1 3.12Å; Q223-V246 HydrophobicContact CB-CG1 4.37Å; Q223-Y256 HydrophobicContact CG-CE1 4.45Å
224T94.3Very high97.3Very high110 Ų11078.8 Ų78.868%0.67541%0.412SS*.THydrogen-bonded Turntrans-58.3-36.7-169.8-49.80000113.9
225Q94.8Very high97.3Very high192 Ų19280.9 Ų80.990%0.89743%0.43SS*.THydrogen-bonded Turntrans-75.5-30.5-179.2-65.9-173.5-0.500112.8Q223Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 2.96Å
226D93.9Very high97.2Very high115 Ų11582.7 Ų82.762%0.61546%0.456SS*.THydrogen-bonded Turntrans-96.2-1.3-176.8-55.3-59.8000112.7Q223Q223-D226 PolarHBondContact O-N 3.37Å; Q223-D226 VanDerWaalsContact O-N 3.16Å
227T97.4Very high97.1Very high25 Ų2587.8 Ų87.815%0.15348%0.484CS..  trans-90.9119.1179.3-62.20000110.8Q223 L229 A244 A245 V246Q223-T227 WeakPolarHBondContact O-CB 3.34Å; Q223-T227 PolarHBondContact O-N 3.15Å; Q223-T227 PolarHBondContact O-OG1 3.12Å; T227-L229 HydrophobicContact CG2-CB 4.4Å; T227-L229 PolarHBondContact O-N 3.03Å; T227-A244 HydrophobicContact CG2-CB 3.88Å; T227-A245 CarbonylContact C-O 3.6Å; T227-A245 WeakPolarHBondContact CA-O 3.2Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.35Å
228E98.1Very high97Very high115 Ų11588.7 Ų88.754%0.53749%0.485SS..EExtended strand (participates in β ladder)trans-76.2111.9162.9-172.7-174.9-172.300108.9W243 A244 A245E228-W243 HydrophobicContact CB-CZ3 4.14Å; E228-W243 HydrophobicContact CG-CH2 3.83Å; E228-W243 HydrophobicContact CG-CZ3 3.82Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.31Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.31Å; E228-A244 CarbonylContact O-C 3.59Å; E228-A244 WeakPolarHBondContact O-CA 3.48Å; E228-A245 HydrophobicContact CB-CB 4.47Å; E228-A245 PolarHBondContact N-O 2.97Å; E228-A245 PolarHBondContact O-N 3.3Å
229L98.1Very high97Very high89 Ų8986 Ų8647%0.46648%0.477SS..EExtended strand (participates in β ladder)trans-118.5117.8-178.9-172.268.5000110.3L214 T227 K242 A244L214-L229 HydrophobicContact CB-CD1 4.27Å; T227-L229 HydrophobicContact CG2-CB 4.4Å; T227-L229 PolarHBondContact O-N 3.03Å; L229-K242 HydrophobicContact CD1-CD 4.45Å; L229-A244 HydrophobicContact CD1-CB 3.62Å
230V98.1Very high97.1Very high34 Ų3482.4 Ų82.421%0.20646%0.456CS..PPolyproline II helixtrans-81.2153.9175.4-65.60000112.1K242 W243V230-K242 HydrophobicContact CG2-CG 4.4Å; V230-K242 WeakPolarHBondContact O-CE 2.93Å; V230-K242 PolarHBondContact O-NZ 2.02Å; V230-W243 HydrophobicContact CB-CZ2 4.42Å; V230-W243 HydrophobicContact CG1-CD2 3.98Å; V230-W243 HydrophobicContact CG1-CE3 4.37Å; V230-W243 HydrophobicContact CG1-CH2 3.66Å; V230-W243 HydrophobicContact CG1-CZ2 3.17Å; V230-W243 HydrophobicContact CG1-CZ3 4.22Å; V230-W243 HydrophobicContact CG2-CD2 3.82Å; V230-W243 HydrophobicContact CG2-CG 3.76Å; V230-W243 HydrophobicContact CG2-CZ2 4.47Å; V230-W243 WeakPolarHBondContact CG2-O 3.12Å; V230-W243 PolarHBondContact N-O 2.78Å
231E98.1Very high97.3Very high171 Ų17182.3 Ų82.380%0.79944%0.444SS*.PPolyproline II helixtrans-56.3145.7166.7-68.6-174173.700111R233E231-R233 PolarHBondContact O-N 3.26Å
232T98.6Very high97.3Very high44 Ų4476.5 Ų76.527%0.2742%0.416SS..PPolyproline II helixtrans-66.3128.7172.4-57.30000108.2F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.06Å; F207-T232 HydrophobicContact CZ-CG2 3.88Å; A210-T232 HydrophobicContact CB-CG2 4.3Å; T232-F240 HydrophobicContact CG2-CB 3.81Å; T232-F240 HydrophobicContact CG2-CD1 3.9Å; T232-F240 HydrophobicContact CG2-CG 4.12Å; T232-K242 WeakPolarHBondContact OG1-CD 3.32Å; T232-K242 PolarHBondContact OG1-NZ 3Å; T232-K242 VanDerWaalsContact OG1-NZ 3.16Å
233R98.5Very high97.4Very high93 Ų9373.1 Ų73.135%0.35140%0.396SS..EExtended strand (participates in β ladder)trans-127.1145.1-173.967.4-170.2-176.5-160.6-0.6111.5E231 F240 Q241E231-R233 PolarHBondContact O-N 3.26Å; R233-F240 WeakPolarHBondContact O-CA 3.41Å; R233-Q241 HydrophobicContact CG-CG 3.53Å; R233-Q241 PolarHBondContact N-O 3.09Å; R233-Q241 VanDerWaalsContact NE-NE2 3.18Å; R233-Q241 WeakPolarHBondContact O-CG 3.29Å; R233-Q241 PolarHBondContact O-N 2.82Å
234P98.3Very high97.5Very high91 Ų9171.8 Ų71.859%0.59139%0.39SS*.EExtended strand (participates in β ladder)trans-69.6145.6179.229.2-34.9000111.1F240P234-F240 HydrophobicContact CB-CE1 4.34Å
235A97.8Very high97.7Very high50 Ų5066.6 Ų66.641%0.41336%0.359SS..  trans-89.7-15.1172.900000113D237 T239A235-D237 WeakPolarHBondContact CB-OD1 3.34Å; A235-T239 WeakPolarHBondContact CB-O 3.46Å; A235-T239 PolarHBondContact N-O 2.96Å
236G96.2Very high97.8Very high78 Ų7857.7 Ų57.780%0.80432%0.317SS*.SBendtrans95-4.5179.800000114.6
237D96.3Very high98Very high109 Ų10956 Ų5658%0.58331%0.311SS*.SBendtrans-117.131.2-179.164.7-3.2000112A235 T239A235-D237 WeakPolarHBondContact CB-OD1 3.34Å; D237-T239 PolarHBondContact O-N 3Å; D237-T239 WeakPolarHBondContact OD1-CB 3.49Å; D237-T239 PolarHBondContact OD1-N 3.11Å; D237-T239 VanDerWaalsContact OD1-N 3.1Å; D237-T239 PolarHBondContact OD1-OG1 3.3Å
238R95.9Very high98.1Very high59 Ų5954.8 Ų54.822%0.22330%0.304CS..SBendtrans75.1-21.9-169.2-175.1-177.1172.9-133-11.8115T30 T177 Y208T30-R238 PolarHBondContact OG1-NE 2.81Å; T177-R238 VanDerWaalsContact CB-NH1 3.28Å; T177-R238 PolarHBondContact O-NH1 2.82Å; T177-R238 PolarHBondContact O-NH2 2.95Å; Y208-R238 VanDerWaalsContact CD1-NH2 3.35Å; Y208-R238 HydrophobicContact CD2-CG 3.84Å; Y208-R238 HydrophobicContact CE2-CG 4.01Å; Y208-R238 VanDerWaalsContact CZ-NH2 3.28Å
239T98.5Very high98Very high16 Ų1651.4 Ų51.410%0.09829%0.292CS..  trans-85.4169-17875.20000112.9G206 F207 A235 D237G206-T239 WeakPolarHBondContact CA-OG1 3.45Å; F207-T239 CarbonylContact O-C 3.55Å; F207-T239 WeakPolarHBondContact O-CA 3.47Å; A235-T239 WeakPolarHBondContact CB-O 3.46Å; A235-T239 PolarHBondContact N-O 2.96Å; D237-T239 PolarHBondContact O-N 3Å; D237-T239 WeakPolarHBondContact OD1-CB 3.49Å; D237-T239 PolarHBondContact OD1-N 3.11Å; D237-T239 VanDerWaalsContact OD1-N 3.1Å; D237-T239 PolarHBondContact OD1-OG1 3.3Å
240F98.8Very high97.9Very high27 Ų2749.9 Ų49.912%0.11829%0.288CS..EExtended strand (participates in β ladder)trans-118.9163179.7-64.2-87.9000111.7D29 G206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.79Å; D29-F240 HydrophobicContact CB-CZ 3.78Å; G206-F240 PolarHBondContact N-O 3.1Å; F207-F240 VanDerWaalsContact CD1-O 3.28Å; F207-F240 WeakPolarHBondContact CD1-O 3.43Å; F207-F240 HydrophobicContact CD2-CB 3.94Å; F207-F240 HydrophobicContact CE1-CB 4.22Å; F207-F240 WeakPolarHBondContact CE1-O 3.44Å; F207-F240 HydrophobicContact CE2-CB 3.47Å; F207-F240 VanDerWaalsContact CE2-CB 3.47Å; F207-F240 HydrophobicContact CE2-CG 4.45Å; F207-F240 HydrophobicContact CG-CB 4.45Å; F207-F240 HydrophobicContact CZ-CB 3.62Å; F207-F240 PolarHBondContact N-O 2.9Å; F207-F240 PolarHBondContact O-N 3.19Å; Y208-F240 HydrophobicContact CD2-CE2 4.09Å; A210-F240 HydrophobicContact CB-CD1 3.77Å; A210-F240 HydrophobicContact CB-CD2 3.78Å; A210-F240 HydrophobicContact CB-CE1 3.68Å; A210-F240 HydrophobicContact CB-CE2 3.7Å; A210-F240 HydrophobicContact CB-CG 3.83Å; A210-F240 HydrophobicContact CB-CZ 3.67Å; T232-F240 HydrophobicContact CG2-CB 3.81Å; T232-F240 HydrophobicContact CG2-CD1 3.9Å; T232-F240 HydrophobicContact CG2-CG 4.12Å; R233-F240 WeakPolarHBondContact O-CA 3.41Å; P234-F240 HydrophobicContact CB-CE1 4.34Å
241Q98.8Very high97.8Very high46 Ų4651.5 Ų51.522%0.21531%0.312CS..EExtended strand (participates in β ladder)trans-139.8146.8173.848.8170.1-24.300110A204 L205 R233A204-Q241 VanDerWaalsContact O-CA 3.3Å; A204-Q241 WeakPolarHBondContact O-CA 3.19Å; L205-Q241 HydrophobicContact CD2-CB 3.58Å; R233-Q241 HydrophobicContact CG-CG 3.53Å; R233-Q241 PolarHBondContact N-O 3.09Å; R233-Q241 VanDerWaalsContact NE-NE2 3.18Å; R233-Q241 WeakPolarHBondContact O-CG 3.29Å; R233-Q241 PolarHBondContact O-N 2.82Å
242K98.8Very high97.7Very high21 Ų2145.9 Ų45.99%0.09129%0.285CS..EExtended strand (participates in β ladder)trans-151.5154.3176.8-162.3-175.8-172.2690108.9A204 F207 I212 L214 L229 V230 T232A204-K242 PolarHBondContact N-O 2.81Å; A204-K242 PolarHBondContact O-N 2.83Å; A204-K242 VanDerWaalsContact O-O 3.12Å; F207-K242 HydrophobicContact CE1-CB 4.34Å; F207-K242 HydrophobicContact CZ-CB 4.1Å; I212-K242 HydrophobicContact CG2-CB 4.31Å; I212-K242 HydrophobicContact CG2-CD 3.62Å; L214-K242 HydrophobicContact CD1-CD 4.27Å; L214-K242 HydrophobicContact CD2-CB 4.32Å; L214-K242 HydrophobicContact CD2-CG 4.41Å; L229-K242 HydrophobicContact CD1-CD 4.45Å; V230-K242 HydrophobicContact CG2-CG 4.4Å; V230-K242 WeakPolarHBondContact O-CE 2.93Å; V230-K242 PolarHBondContact O-NZ 2.02Å; T232-K242 WeakPolarHBondContact OG1-CD 3.32Å; T232-K242 PolarHBondContact OG1-NZ 3Å; T232-K242 VanDerWaalsContact OG1-NZ 3.16Å
243W98.8Very high97.7Very high22 Ų2244.8 Ų44.88%0.08328%0.278CS..EExtended strand (participates in β ladder)trans-142.5155.8168.260-99.3000111.5R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 3.96Å; R201-W243 HydrophobicContact CG-CD2 4.12Å; R201-W243 HydrophobicContact CG-CE3 3.94Å; R201-W243 HydrophobicContact CG-CG 4.18Å; C202-W243 CarbonylContact O-C 3.58Å; C202-W243 WeakPolarHBondContact O-CA 3.02Å; C202-W243 VanDerWaalsContact O-CB 3.26Å; C202-W243 WeakPolarHBondContact O-CB 3.26Å; W203-W243 HydrophobicContact CD2-CB 3.96Å; W203-W243 HydrophobicContact CD2-CG 4.5Å; W203-W243 HydrophobicContact CE3-CB 3.89Å; W203-W243 AromaticContact CE3-CD1 3.95Å; W203-W243 HydrophobicContact CE3-CG 4.26Å; W203-W243 HydrophobicContact CG-CB 4.41Å; W203-W243 AromaticContact CH2-CD1 3.58Å; W203-W243 HydrophobicContact CH2-CG 4.25Å; W203-W243 HydrophobicContact CZ2-CG 4.47Å; W203-W243 HydrophobicContact CZ3-CB 4.28Å; W203-W243 AromaticContact CZ3-CD1 3.45Å; W203-W243 VanDerWaalsContact CZ3-CD1 3.45Å; W203-W243 HydrophobicContact CZ3-CG 4.15Å; E228-W243 HydrophobicContact CB-CZ3 4.14Å; E228-W243 HydrophobicContact CG-CH2 3.83Å; E228-W243 HydrophobicContact CG-CZ3 3.82Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.31Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.31Å; V230-W243 HydrophobicContact CB-CZ2 4.42Å; V230-W243 HydrophobicContact CG1-CD2 3.98Å; V230-W243 HydrophobicContact CG1-CE3 4.37Å; V230-W243 HydrophobicContact CG1-CH2 3.66Å; V230-W243 HydrophobicContact CG1-CZ2 3.17Å; V230-W243 HydrophobicContact CG1-CZ3 4.22Å; V230-W243 HydrophobicContact CG2-CD2 3.82Å; V230-W243 HydrophobicContact CG2-CG 3.76Å; V230-W243 HydrophobicContact CG2-CZ2 4.47Å; V230-W243 WeakPolarHBondContact CG2-O 3.12Å; V230-W243 PolarHBondContact N-O 2.78Å; W243-A245 HydrophobicContact CE3-CB 3.9Å; W243-A245 HydrophobicContact CZ3-CB 3.61Å
244A98.7Very high97.6Very high0 Ų045.6 Ų45.60%029%0.285CS..EExtended strand (participates in β ladder)trans-128.3132.9173.600000108.5C202 L214 W216 T227 E228 L229C202-A244 PolarHBondContact N-O 2.9Å; C202-A244 PolarHBondContact O-N 2.86Å; L214-A244 HydrophobicContact CB-CB 4Å; L214-A244 HydrophobicContact CD2-CB 4.37Å; W216-A244 PolarHBondContact NE1-O 2.81Å; T227-A244 HydrophobicContact CG2-CB 3.88Å; E228-A244 CarbonylContact O-C 3.59Å; E228-A244 WeakPolarHBondContact O-CA 3.48Å; L229-A244 HydrophobicContact CD1-CB 3.62Å
245A98.6Very high97.6Very high2 Ų245.6 Ų45.62%0.01727%0.273CS..EExtended strand (participates in β ladder)trans-127.7146.9-179.500000112.3T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.88Å; L200-A245 CarbonylContact O-C 3.58Å; L200-A245 WeakPolarHBondContact O-CA 3.45Å; R201-A245 HydrophobicContact CB-CB 4.12Å; R201-A245 HydrophobicContact CG-CB 4.19Å; T227-A245 CarbonylContact C-O 3.6Å; T227-A245 WeakPolarHBondContact CA-O 3.2Å; E228-A245 HydrophobicContact CB-CB 4.47Å; E228-A245 PolarHBondContact N-O 2.97Å; E228-A245 PolarHBondContact O-N 3.3Å; W243-A245 HydrophobicContact CE3-CB 3.9Å; W243-A245 HydrophobicContact CZ3-CB 3.61Å
246V98.4Very high97.6Very high4 Ų443.6 Ų43.62%0.02426%0.255CS..EExtended strand (participates in β ladder)trans-132145173.2-72.70000109.2T199 L200 W216 Q223 T227 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.3Å; L200-V246 HydrophobicContact CB-CG2 4.2Å; L200-V246 PolarHBondContact N-O 2.97Å; L200-V246 PolarHBondContact O-N 3.34Å; W216-V246 HydrophobicContact CB-CG1 3.68Å; W216-V246 HydrophobicContact CB-CG2 4.36Å; W216-V246 HydrophobicContact CD2-CG1 4.45Å; W216-V246 HydrophobicContact CD2-CG2 3.66Å; W216-V246 HydrophobicContact CE3-CG2 4.08Å; W216-V246 HydrophobicContact CG-CB 4.39Å; W216-V246 HydrophobicContact CG-CG1 3.68Å; W216-V246 HydrophobicContact CG-CG2 3.79Å; W216-V246 HydrophobicContact CZ2-CG2 4.42Å; Q223-V246 HydrophobicContact CB-CG1 4.37Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.35Å; V246-V248 HydrophobicContact CB-CG1 4.4Å; V246-V248 HydrophobicContact CG2-CG1 3.77Å; V246-Y256 HydrophobicContact CG2-CD1 4.06Å; V246-Y256 HydrophobicContact CG2-CE1 4.49Å
247V98.2Very high97.8Very high80 Ų8040.2 Ų40.249%0.48522%0.219SC..EExtended strand (participates in β ladder)trans-87.4127.7168.3-178.70000107.7E197 A198E197-V247 HydrophobicContact CB-CG1 3.99Å; E197-V247 HydrophobicContact CG-CG1 4.2Å; A198-V247 WeakPolarHBondContact O-CA 3.28Å
248V97.6Very high97.9Very high0 Ų035 Ų350%019%0.191CC..EExtended strand (participates in β ladder)trans-125.8145.4-175.5-52.10000110.4E197 A198 L200 V246 E253 Y256E197-V248 VanDerWaalsContact CA-O 3.31Å; E197-V248 WeakPolarHBondContact CA-O 3.4Å; A198-V248 PolarHBondContact N-O 3.37Å; A198-V248 PolarHBondContact O-N 2.93Å; L200-V248 HydrophobicContact CD1-CG1 3.99Å; L200-V248 HydrophobicContact CD1-CG2 4.07Å; L200-V248 HydrophobicContact CG-CG1 4.13Å; L200-V248 HydrophobicContact CG-CG2 3.86Å; V246-V248 HydrophobicContact CB-CG1 4.4Å; V246-V248 HydrophobicContact CG2-CG1 3.77Å; V248-E253 HydrophobicContact CG2-CG 4.02Å; V248-Y256 HydrophobicContact CB-CD2 4.01Å; V248-Y256 HydrophobicContact CB-CE2 3.67Å; V248-Y256 HydrophobicContact CG1-CD1 3.77Å; V248-Y256 HydrophobicContact CG1-CD2 3.59Å; V248-Y256 HydrophobicContact CG1-CE1 3.68Å; V248-Y256 HydrophobicContact CG1-CE2 3.52Å; V248-Y256 HydrophobicContact CG1-CG 3.71Å
249P97.5Very high98Very high44 Ų4433.9 Ų33.929%0.28619%0.188SC..EExtended strand (participates in β ladder)trans-62.7140.1170.4-20.532.5000111.2H196 G251 E252H196-P249 CarbonylContact O-C 3.55Å; H196-P249 VanDerWaalsContact O-CA 3.31Å; H196-P249 WeakPolarHBondContact O-CA 3.4Å; P249-G251 PolarHBondContact O-N 3.45Å; P249-E252 HydrophobicContact CB-CB 4.34Å; P249-E252 HydrophobicContact CB-CG 4.07Å; P249-E252 HydrophobicContact CG-CG 4.46Å; P249-E252 WeakPolarHBondContact O-CB 3.48Å; P249-E252 PolarHBondContact O-N 2.8Å
250S95.3Very high98Very high57 Ų5733.1 Ų33.140%0.39918%0.184SC..THydrogen-bonded Turntrans-59.2129.4176.1-61.70000111.1H196 E197 E253H196-S250 VanDerWaalsContact C-OG 3.26Å; H196-S250 PolarHBondContact O-N 2.98Å; E197-S250 PolarHBondContact N-OG 2.85Å; S250-E253 WeakPolarHBondContact CA-OE1 3.45Å
251G95.3Very high98Very high68 Ų6836.9 Ų36.970%0.70120%0.201SC*.THydrogen-bonded Turntrans89.9-5.5-176.300000114.9P249 E253P249-G251 PolarHBondContact O-N 3.45Å; G251-E253 WeakPolarHBondContact CA-OE2 3.45Å; G251-E253 VanDerWaalsContact N-CD 3.33Å; G251-E253 PolarHBondContact N-OE1 2.84Å; G251-E253 PolarHBondContact N-OE2 3.28Å
252E97.6Very high98Very high52 Ų5235.4 Ų35.424%0.24319%0.194CC..  trans-100.64.5175.7-66-161.2-171.700113.9R218 P249 Q254 R255 Y256R218-E252 IonicContact CZ-OE2 3.46Å; R218-E252 IonicContact NE-OE2 3.59Å; R218-E252 IonicContact NH2-OE1 3.65Å; R218-E252 IonicContact NH2-OE2 3.45Å; R218-E252 PolarHBondContact NH2-OE2 3.38Å; P249-E252 HydrophobicContact CB-CB 4.34Å; P249-E252 HydrophobicContact CB-CG 4.07Å; P249-E252 HydrophobicContact CG-CG 4.46Å; P249-E252 WeakPolarHBondContact O-CB 3.48Å; P249-E252 PolarHBondContact O-N 2.8Å; E252-Q254 PolarHBondContact O-N 3.42Å; E252-Q254 VanDerWaalsContact O-N 3.09Å; E252-R255 VanDerWaalsContact O-CB 3.31Å; E252-R255 WeakPolarHBondContact O-CB 3.46Å; E252-R255 PolarHBondContact O-N 2.6Å; E252-R255 IonicContact OE1-NH1 3.26Å; E252-R255 PolarHBondContact OE1-NH1 3.1Å; E252-R255 IonicContact OE2-CZ 3.76Å; E252-R255 IonicContact OE2-NE 3.36Å; E252-R255 IonicContact OE2-NH1 3.58Å; E252-R255 PolarHBondContact OE2-NH1 3.15Å; E252-Y256 HydrophobicContact CB-CE2 4.3Å; E252-Y256 WeakPolarHBondContact O-CD2 3.36Å
253E97.4Very high98Very high22 Ų2240.6 Ų40.610%0.10322%0.219CC..G310 helixtrans-57.1-35.3-169.6-5881.1-178.600112.6H190 L200 V248 S250 G251 R255 Y256 W273H190-E253 IonicContact NE2-OE1 3.93Å; L200-E253 HydrophobicContact CD1-CB 4.2Å; L200-E253 HydrophobicContact CD2-CG 4.32Å; V248-E253 HydrophobicContact CG2-CG 4.02Å; S250-E253 WeakPolarHBondContact CA-OE1 3.45Å; G251-E253 WeakPolarHBondContact CA-OE2 3.45Å; G251-E253 VanDerWaalsContact N-CD 3.33Å; G251-E253 PolarHBondContact N-OE1 2.84Å; G251-E253 PolarHBondContact N-OE2 3.28Å; E253-R255 PolarHBondContact O-N 3.47Å; E253-Y256 PolarHBondContact O-N 3.22Å; E253-Y256 VanDerWaalsContact O-N 3.11Å; E253-W273 HydrophobicContact CB-CE3 3.64Å; E253-W273 HydrophobicContact CB-CZ3 4.14Å; E253-W273 HydrophobicContact CG-CE3 3.72Å; E253-W273 HydrophobicContact CG-CZ3 3.86Å
254Q97.5Very high97.9Very high109 Ų10940.6 Ų40.651%0.50923%0.226SC..G310 helixtrans-71.3-16.2-179-64.6-58.1-46.800114.3E252 R272 W273E252-Q254 PolarHBondContact O-N 3.42Å; E252-Q254 VanDerWaalsContact O-N 3.09Å; Q254-R272 PolarHBondContact O-NE 2.99Å; Q254-R272 VanDerWaalsContact O-NE 3.1Å; Q254-W273 PolarHBondContact NE2-O 2.79Å
255R98Very high97.9Very high92 Ų9241.9 Ų41.935%0.34723%0.233SC..G310 helixtrans-74-18.1172.4-63.917466.9-178.84.8112R218 D219 E252 E253R218-R255 WeakPolarHBondContact CA-O 3.48Å; R218-R255 HydrophobicContact CG-CB 4.43Å; D219-R255 PolarHBondContact N-O 3.16Å; D219-R255 WeakPolarHBondContact OD1-CB 3.3Å; D219-R255 IonicContact OD1-NE 3.74Å; D219-R255 PolarHBondContact OD1-NE 2.97Å; D219-R255 IonicContact OD2-CZ 3.28Å; D219-R255 IonicContact OD2-NE 2.63Å; D219-R255 PolarHBondContact OD2-NE 2.88Å; D219-R255 IonicContact OD2-NH2 3.43Å; D219-R255 PolarHBondContact OD2-NH2 3.18Å; E252-R255 VanDerWaalsContact O-CB 3.31Å; E252-R255 WeakPolarHBondContact O-CB 3.46Å; E252-R255 PolarHBondContact O-N 2.6Å; E252-R255 IonicContact OE1-NH1 3.26Å; E252-R255 PolarHBondContact OE1-NH1 3.1Å; E252-R255 IonicContact OE2-CZ 3.76Å; E252-R255 IonicContact OE2-NE 3.36Å; E252-R255 IonicContact OE2-NH1 3.58Å; E252-R255 PolarHBondContact OE2-NH1 3.15Å; E253-R255 PolarHBondContact O-N 3.47Å
256Y98.5Very high97.8Very high8 Ų848.2 Ų48.23%0.03127%0.274CS..EExtended strand (participates in β ladder)trans-97.3131.4-177.2-67.3-97.8000111.4L200 Q217 R218 Q223 V246 V248 E252 E253L200-Y256 HydrophobicContact CD1-CG 4.48Å; Q217-Y256 CarbonylContact O-C 3.59Å; Q217-Y256 VanDerWaalsContact O-CA 3.22Å; Q217-Y256 WeakPolarHBondContact O-CA 3.44Å; R218-Y256 HydrophobicContact CB-CD1 4.03Å; R218-Y256 HydrophobicContact CB-CE1 3.78Å; R218-Y256 WeakPolarHBondContact CD-OH 3.15Å; R218-Y256 HydrophobicContact CG-CD1 4.38Å; R218-Y256 HydrophobicContact CG-CE1 3.93Å; R218-Y256 HydrophobicContact CG-CE2 4.13Å; R218-Y256 PolarHBondContact NE-OH 2.88Å; Q223-Y256 HydrophobicContact CG-CE1 4.45Å; V246-Y256 HydrophobicContact CG2-CD1 4.06Å; V246-Y256 HydrophobicContact CG2-CE1 4.49Å; V248-Y256 HydrophobicContact CB-CD2 4.01Å; V248-Y256 HydrophobicContact CB-CE2 3.67Å; V248-Y256 HydrophobicContact CG1-CD1 3.77Å; V248-Y256 HydrophobicContact CG1-CD2 3.59Å; V248-Y256 HydrophobicContact CG1-CE1 3.68Å; V248-Y256 HydrophobicContact CG1-CE2 3.52Å; V248-Y256 HydrophobicContact CG1-CG 3.71Å; E252-Y256 HydrophobicContact CB-CE2 4.3Å; E252-Y256 WeakPolarHBondContact O-CD2 3.36Å; E253-Y256 PolarHBondContact O-N 3.22Å; E253-Y256 VanDerWaalsContact O-N 3.11Å
257T98.6Very high97.8Very high7 Ų755.2 Ų55.24%0.04330%0.304CS..EExtended strand (participates in β ladder)trans-125.5132.117544.90000110.9W216 Q217 H259 T270 L271 R272W216-T257 WeakPolarHBondContact CA-O 3.44Å; Q217-T257 PolarHBondContact N-O 2.98Å; Q217-T257 PolarHBondContact O-N 3.2Å; T257-H259 WeakPolarHBondContact CB-NE2 3.48Å; T257-H259 PolarHBondContact O-CD2 3.06Å; T257-H259 PolarHBondContact OG1-NE2 2.91Å; T257-T270 HydrophobicContact CG2-CG2 3.83Å; T257-L271 CarbonylContact C-O 3.52Å; T257-L271 VanDerWaalsContact CA-O 3.29Å; T257-L271 WeakPolarHBondContact CA-O 3.45Å; T257-R272 HydrophobicContact CG2-CG 3.58Å; T257-R272 VanDerWaalsContact CG2-NE 3.29Å; T257-R272 VanDerWaalsContact CG2-NH2 3.3Å
258C98.7Very high97.8Very high0 Ų055.1 Ų55.10%031%0.305CS..EExtended strand (participates in β ladder)trans-89.2130.7168.6175.60000109.9C202 T215 W216 T270 L271C202-C258 HydrophobicContact CB-CB 3.49Å; C202-C258 VanDerWaalsContact CB-CB 3.49Å; C202-C258 WeakPolarHBondContact CB-SG 3.38Å; C202-C258 WeakPolarHBondContact SG-CB 3.17Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 2.89Å; T215-C258 CarbonylContact O-C 3.54Å; T215-C258 WeakPolarHBondContact O-CA 3.28Å; W216-C258 HydrophobicContact CD2-CB 4.17Å; W216-C258 HydrophobicContact CE3-CB 4.13Å; W216-C258 HydrophobicContact CH2-CB 4.01Å; W216-C258 HydrophobicContact CZ2-CB 4.05Å; W216-C258 HydrophobicContact CZ3-CB 4.05Å; C258-T270 CarbonylContact O-C 3.5Å; C258-T270 WeakPolarHBondContact O-CA 3.49Å; C258-L271 HydrophobicContact CB-CB 4.36Å; C258-L271 PolarHBondContact N-O 3.37Å; C258-L271 PolarHBondContact O-N 3.29Å
259H98.6Very high97.8Very high35 Ų3557.6 Ų57.616%0.16232%0.318CS..EExtended strand (participates in β ladder)trans-111.4128.9176.6-64.2-109.6000110L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.22Å; T215-H259 PolarHBondContact N-O 3.27Å; T215-H259 PolarHBondContact O-N 2.92Å; T215-H259 WeakPolarHBondContact OG1-CB 3.45Å; Q217-H259 PolarHBondContact OE1-CE1 3.33Å; Q217-H259 PolarHBondContact OE1-NE2 2.83Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.15Å; T257-H259 WeakPolarHBondContact CB-NE2 3.48Å; T257-H259 PolarHBondContact O-CD2 3.06Å; T257-H259 PolarHBondContact OG1-NE2 2.91Å; H259-L269 VanDerWaalsContact CA-O 3.32Å; H259-L269 WeakPolarHBondContact CA-O 3.33Å; H259-T270 PolarHBondContact ND1-OG1 3.44Å
260V98.8Very high97.9Very high0 Ų059.3 Ų59.30%033%0.328CS..EExtended strand (participates in β ladder)trans-123.3124.2-177.5-173.60000110P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 3.92Å; T186-V260 HydrophobicContact CG2-CB 4.34Å; T186-V260 HydrophobicContact CG2-CG1 4.05Å; T186-V260 HydrophobicContact CG2-CG2 3.98Å; I212-V260 HydrophobicContact CD1-CG1 4.07Å; I212-V260 HydrophobicContact CG1-CG1 4.35Å; T213-V260 WeakPolarHBondContact O-CA 3.31Å; L214-V260 HydrophobicContact CD1-CG1 4.14Å; L214-V260 HydrophobicContact CG-CG2 4.35Å; V260-L265 HydrophobicContact CG1-CD1 4.24Å; V260-P268 WeakPolarHBondContact O-CA 3.42Å; V260-L269 HydrophobicContact CB-CB 4.34Å; V260-L269 PolarHBondContact N-O 2.86Å; V260-L269 PolarHBondContact O-N 3.03Å; V260-L271 HydrophobicContact CG2-CD1 3.79Å
261Q98.7Very high98Very high105 Ų10558 Ų5849%0.49132%0.316SS..EExtended strand (participates in β ladder)trans-120.4132.8173.6-53.4-176.912.700109.9I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.28Å; I212-Q261 WeakPolarHBondContact CG1-O 3.3Å; T213-Q261 PolarHBondContact N-O 2.63Å; T213-Q261 PolarHBondContact O-N 3.06Å; Q261-P268 HydrophobicContact CG-CB 4.09Å; Q261-P268 HydrophobicContact CG-CG 4.14Å
262H98.7Very high98.1Very high15 Ų1561.3 Ų61.37%0.06931%0.308CS..  trans-158.3146.3-179.6-178.1-96.6000108.7D182 P184 F207 Y208 P209 E211 I212 G264 L265D182-H262 PolarHBondContact O-CE1 2.8Å; P184-H262 HydrophobicContact CG-CB 4.03Å; F207-H262 AromaticContact CD2-CD2 3.83Å; F207-H262 AromaticContact CD2-NE2 3.78Å; Y208-H262 PolarHBondContact O-CE1 2.8Å; Y208-H262 PolarHBondContact O-NE2 2.89Å; P209-H262 PolarHBondContact O-NE2 3.27Å; E211-H262 PolarHBondContact O-CD2 3.4Å; E211-H262 VanDerWaalsContact O-CD2 3.31Å; I212-H262 HydrophobicContact CD1-CB 4.43Å; I212-H262 HydrophobicContact CG1-CB 4.16Å; H262-G264 PolarHBondContact ND1-N 2.92Å; H262-G264 PolarHBondContact O-N 2.97Å; H262-L265 HydrophobicContact CB-CD1 3.96Å; H262-L265 HydrophobicContact CB-CG 4.14Å; H262-L265 WeakPolarHBondContact O-CB 3.36Å; H262-L265 PolarHBondContact O-N 3.34Å
263E97.8Very high97.9Very high130 Ų13065.8 Ų65.861%0.60732%0.322SS*.THydrogen-bonded Turntrans-63.1-29.4-176.460.4159.4-144.800113.9A181 P209 L265A181-E263 HydrophobicContact CB-CG 3.95Å; A181-E263 WeakPolarHBondContact CB-OE1 3.12Å; P209-E263 WeakPolarHBondContact CD-OE1 3.13Å; P209-E263 VanDerWaalsContact CG-CD 3.47Å; P209-E263 HydrophobicContact CG-CG 3.81Å; P209-E263 WeakPolarHBondContact CG-OE1 3.47Å; E263-L265 PolarHBondContact O-N 3.45Å
264G97.6Very high98Very high23 Ų2368 Ų6824%0.23733%0.333CS..THydrogen-bonded Turntrans-71.4-8.6174.400000114.3H262H262-G264 PolarHBondContact ND1-N 2.92Å; H262-G264 PolarHBondContact O-N 2.97Å
265L98.4Very high98Very high26 Ų2665.8 Ų65.814%0.13632%0.324CS..  trans-93.9127.2176.9-66171.1000110.3P183 P184 V260 H262 E263 K267 L269P183-L265 HydrophobicContact CB-CD2 3.9Å; P183-L265 HydrophobicContact CB-CG 4.43Å; P184-L265 HydrophobicContact CG-CD1 3.91Å; P184-L265 HydrophobicContact CG-CD2 4.46Å; P184-L265 HydrophobicContact CG-CG 4.25Å; V260-L265 HydrophobicContact CG1-CD1 4.24Å; H262-L265 HydrophobicContact CB-CD1 3.96Å; H262-L265 HydrophobicContact CB-CG 4.14Å; H262-L265 WeakPolarHBondContact O-CB 3.36Å; H262-L265 PolarHBondContact O-N 3.34Å; E263-L265 PolarHBondContact O-N 3.45Å; L265-K267 WeakPolarHBondContact CB-O 3.43Å; L265-K267 PolarHBondContact O-N 2.9Å; L265-L269 HydrophobicContact CD1-CD1 4.07Å; L265-L269 HydrophobicContact CD1-CG 3.94Å; L265-L269 HydrophobicContact CD2-CD1 3.79Å; L265-L269 HydrophobicContact CD2-CG 4.03Å
266P97.6Very high98Very high135 Ų13564.4 Ų64.488%0.87732%0.323SS*.SBendtrans-67.6-22.1177.227.7-34.9000112.8
267K97.6Very high98Very high152 Ų15267.7 Ų67.766%0.66134%0.34SS*.SBendtrans-150.7151.217359.8-179.2179.7177.60109.3L265L265-K267 WeakPolarHBondContact CB-O 3.43Å; L265-K267 PolarHBondContact O-N 2.9Å
268P98.2Very high97.9Very high78 Ų7871.5 Ų71.551%0.50636%0.359SS..  trans-52.7145.2172.8-27.135.9000112.2V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.42Å; Q261-P268 HydrophobicContact CG-CB 4.09Å; Q261-P268 HydrophobicContact CG-CG 4.14Å
269L98.5Very high97.9Very high52 Ų5276.3 Ų76.327%0.27238%0.382SS..EExtended strand (participates in β ladder)trans-95.8144.8173.9-61.2178.8000110.1T186 H259 V260 L265 L271T186-L269 HydrophobicContact CG2-CD1 4.36Å; T186-L269 WeakPolarHBondContact OG1-CD1 3.38Å; H259-L269 VanDerWaalsContact CA-O 3.32Å; H259-L269 WeakPolarHBondContact CA-O 3.33Å; V260-L269 HydrophobicContact CB-CB 4.34Å; V260-L269 PolarHBondContact N-O 2.86Å; V260-L269 PolarHBondContact O-N 3.03Å; L265-L269 HydrophobicContact CD1-CD1 4.07Å; L265-L269 HydrophobicContact CD1-CG 3.94Å; L265-L269 HydrophobicContact CD2-CD1 3.79Å; L265-L269 HydrophobicContact CD2-CG 4.03Å; L269-L271 HydrophobicContact CB-CD1 4.03Å
270T98.6Very high97.8Very high80 Ų8079.2 Ų79.249%0.49140%0.398SS..EExtended strand (participates in β ladder)trans-123.6119170.7-58.40000107.8T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.83Å; C258-T270 CarbonylContact O-C 3.5Å; C258-T270 WeakPolarHBondContact O-CA 3.49Å; H259-T270 PolarHBondContact ND1-OG1 3.44Å
271L98.1Very high97.7Very high30 Ų3085.3 Ų85.316%0.15743%0.429CS..EExtended strand (participates in β ladder)trans-115.9148.4-177.7-58.2100.1000110.5V188 T257 C258 V260 L269V188-L271 HydrophobicContact CG2-CB 3.86Å; T257-L271 CarbonylContact C-O 3.52Å; T257-L271 VanDerWaalsContact CA-O 3.29Å; T257-L271 WeakPolarHBondContact CA-O 3.45Å; C258-L271 HydrophobicContact CB-CB 4.36Å; C258-L271 PolarHBondContact N-O 3.37Å; C258-L271 PolarHBondContact O-N 3.29Å; V260-L271 HydrophobicContact CG2-CD1 3.79Å; L269-L271 HydrophobicContact CB-CD1 4.03Å
272R97.1Very high97.7Very high137 Ų13783.7 Ų83.752%0.51742%0.424SS..  trans-125.6164.9165.8-67.6-171.9170.486.11.3108.3Q254 T257Q254-R272 PolarHBondContact O-NE 2.99Å; Q254-R272 VanDerWaalsContact O-NE 3.1Å; T257-R272 HydrophobicContact CG2-CG 3.58Å; T257-R272 VanDerWaalsContact CG2-NE 3.29Å; T257-R272 VanDerWaalsContact CG2-NH2 3.3Å
273W93.8Very high97.6Very high146 Ų14689.9 Ų89.955%0.55346%0.456SS*.  trans-71.10166.3175.455.2000110.9V188 H190 L200 E253 Q254V188-W273 HydrophobicContact CG1-CB 3.92Å; H190-W273 HydrophobicContact CB-CD2 3.84Å; H190-W273 VanDerWaalsContact CB-CE2 3.44Å; H190-W273 HydrophobicContact CB-CG 3.96Å; H190-W273 HydrophobicContact CB-CZ2 3.95Å; H190-W273 VanDerWaalsContact CB-NE1 3.32Å; H190-W273 AromaticContact CG-CE2 3.71Å; H190-W273 AromaticContact CG-CZ2 3.77Å; H190-W273 AromaticContact ND1-CZ2 3.84Å; L200-W273 HydrophobicContact CD2-CB 3.9Å; L200-W273 HydrophobicContact CD2-CG 4.16Å; E253-W273 HydrophobicContact CB-CE3 3.64Å; E253-W273 HydrophobicContact CB-CZ3 4.14Å; E253-W273 HydrophobicContact CG-CE3 3.72Å; E253-W273 HydrophobicContact CG-CZ3 3.86Å; Q254-W273 PolarHBondContact NE2-O 2.79Å

Retrieved 273 of 273 residues in 162.4 ms (Link to these results)

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