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Actin-related protein 2/3 complex subunit 1A

Probably functions as a component of the Arp2/3 complex which is involved in regulation of actin polymerization and together with an activating nucleation-promoting factor (NPF) mediates the formation of branched actin networks (By similarity). In addition to its role in the cytoplasmic cytoskeleton, the Arp2/3 complex also promotes actin polymerization in the nucleus, thereby regulating gene transcription and repair of damaged DNA (By similarity).

AlphaFold DB , UniProt , Accession Q99PD4, Species RAT (Rattus norvegicus, Rat), Gene Arpc1a, Length 370 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
1M76.1Confident87.3Confident84 Ų8462.5 Ų62.541%0.41432%0.324SS..  0135.10-61.1179.1-74.500108.5L322 I354 W355 L360M1-L322 HydrophobicContact CB-CD1 4.26Å; M1-L322 HydrophobicContact SD-CD1 4.11Å; M1-I354 CarbonylContact C-O 3.46Å; M1-I354 WeakPolarHBondContact CA-O 3.34Å; M1-W355 HydrophobicContact CG-CE3 3.9Å; M1-W355 HydrophobicContact CG-CZ3 4.33Å; M1-W355 HydrophobicContact SD-CE3 3.47Å; M1-W355 HydrophobicContact SD-CH2 4.47Å; M1-W355 HydrophobicContact SD-CZ3 3.37Å; M1-W355 WeakPolarHBondContact SD-CZ3 3.33Å; M1-L360 HydrophobicContact SD-CD2 4.01Å
2S83.1Confident88Confident65 Ų6560.8 Ų60.846%0.45532%0.319SS..EExtended strand (participates in β ladder)trans-134.5109.3175.759.90000110.3T353 I354S2-T353 WeakPolarHBondContact O-CA 3.47Å; S2-I354 PolarHBondContact N-O 2.85Å; S2-I354 PolarHBondContact O-N 2.94Å
3L87.3Confident88.7Confident77 Ų7756.5 Ų56.540%0.40330%0.297SS..EExtended strand (participates in β ladder)trans-83135.4172.2-179.873.7000109.3A351 M352 T353L3-A351 HydrophobicContact CD1-CB 3.72Å; L3-M352 CarbonylContact C-O 3.57Å; L3-T353 WeakPolarHBondContact CD1-OG1 3.41Å
4H89.3Confident89.4Confident50 Ų5052.6 Ų52.623%0.23128%0.276CS..EExtended strand (participates in β ladder)trans-131.4122.9171-170.771.7000110.1F6 W42 A351 M352H4-F6 AromaticContact CD2-CD1 3.53Å; H4-F6 AromaticContact CD2-CD2 3.84Å; H4-F6 AromaticContact CD2-CE1 3.42Å; H4-F6 VanDerWaalsContact CD2-CE1 3.42Å; H4-F6 WeakPolarHBondContact CD2-CE1 3.3Å; H4-F6 AromaticContact CD2-CE2 3.75Å; H4-F6 AromaticContact CD2-CG 3.74Å; H4-F6 AromaticContact CD2-CZ 3.53Å; H4-F6 AromaticContact NE2-CD1 3.65Å; H4-F6 AromaticContact NE2-CE1 3.64Å; H4-W42 AromaticContact CD2-CD1 3.52Å; H4-W42 AromaticContact CE1-CD1 3.73Å; H4-W42 AromaticContact CG-CD1 3.51Å; H4-W42 AromaticContact ND1-CD1 3.64Å; H4-W42 AromaticContact NE2-CD1 3.65Å; H4-W42 AromaticContact NE2-CG 3.91Å; H4-A351 WeakPolarHBondContact O-CA 3.41Å; H4-M352 HydrophobicContact CB-CE 4.26Å; H4-M352 PolarHBondContact N-O 3.14Å; H4-M352 PolarHBondContact O-N 3.35Å
5Q89.7Confident90Very high91 Ų9149.4 Ų49.443%0.42526%0.261SS..EExtended strand (participates in β ladder)trans-89.2108.1175.3-166.571.933.200108.8L7 D349Q5-L7 PolarHBondContact NE2-O 2.82Å; Q5-D349 PolarHBondContact NE2-O 2.85Å
6F84.3Confident90.5Very high23 Ų2347.1 Ų47.110%0.10125%0.247CC..  trans-81.1-43.2176.3-76.4-72.1000111.5H4 I11 I23 L25 Y35 W42 G350 M352H4-F6 AromaticContact CD2-CD1 3.53Å; H4-F6 AromaticContact CD2-CD2 3.84Å; H4-F6 AromaticContact CD2-CE1 3.42Å; H4-F6 VanDerWaalsContact CD2-CE1 3.42Å; H4-F6 WeakPolarHBondContact CD2-CE1 3.3Å; H4-F6 AromaticContact CD2-CE2 3.75Å; H4-F6 AromaticContact CD2-CG 3.74Å; H4-F6 AromaticContact CD2-CZ 3.53Å; H4-F6 AromaticContact NE2-CD1 3.65Å; H4-F6 AromaticContact NE2-CE1 3.64Å; F6-I11 HydrophobicContact CD2-CD1 4.16Å; F6-I23 HydrophobicContact CE2-CG2 4.32Å; F6-I23 HydrophobicContact CZ-CG2 3.75Å; F6-L25 HydrophobicContact CB-CD2 4.35Å; F6-L25 HydrophobicContact CD1-CD2 4.28Å; F6-L25 HydrophobicContact CD2-CD2 3.6Å; F6-L25 HydrophobicContact CE1-CD2 4.5Å; F6-L25 HydrophobicContact CE2-CD2 3.85Å; F6-L25 HydrophobicContact CG-CD2 3.84Å; F6-L25 HydrophobicContact CZ-CD2 4.31Å; F6-Y35 AromaticContact CD1-CD1 3.65Å; F6-Y35 HydrophobicContact CD1-CD1 3.65Å; F6-Y35 AromaticContact CD1-CD2 3.9Å; F6-Y35 HydrophobicContact CD1-CD2 3.9Å; F6-Y35 AromaticContact CD1-CE1 3.64Å; F6-Y35 HydrophobicContact CD1-CE1 3.64Å; F6-Y35 AromaticContact CD1-CE2 3.9Å; F6-Y35 HydrophobicContact CD1-CE2 3.9Å; F6-Y35 AromaticContact CD1-CG 3.78Å; F6-Y35 HydrophobicContact CD1-CG 3.78Å; F6-Y35 AromaticContact CD1-CZ 3.77Å; F6-Y35 AromaticContact CE1-CD1 3.5Å; F6-Y35 HydrophobicContact CE1-CD1 3.5Å; F6-Y35 AromaticContact CE1-CD2 3.83Å; F6-Y35 HydrophobicContact CE1-CD2 3.83Å; F6-Y35 HydrophobicContact CE1-CE1 4.01Å; F6-Y35 HydrophobicContact CE1-CE2 4.31Å; F6-Y35 AromaticContact CE1-CG 3.4Å; F6-Y35 HydrophobicContact CE1-CG 3.4Å; F6-Y35 HydrophobicContact CZ-CG 4.33Å; F6-W42 HydrophobicContact CE1-CB 3.62Å; F6-W42 HydrophobicContact CE1-CD2 4.29Å; F6-W42 AromaticContact CE1-CG 3.84Å; F6-W42 HydrophobicContact CE1-CG 3.84Å; F6-W42 HydrophobicContact CZ-CB 4.19Å; F6-W42 HydrophobicContact CZ-CD2 4.01Å; F6-W42 HydrophobicContact CZ-CE3 4.41Å; F6-W42 AromaticContact CZ-CG 3.88Å; F6-W42 HydrophobicContact CZ-CG 3.88Å; F6-G350 PolarHBondContact N-O 3.34Å; F6-M352 HydrophobicContact CD2-CB 3.98Å; F6-M352 HydrophobicContact CE2-CB 3.65Å; F6-M352 HydrophobicContact CE2-CE 3.83Å; F6-M352 HydrophobicContact CE2-CG 4.27Å; F6-M352 HydrophobicContact CZ-CE 4.08Å
7L83.7Confident90.9Very high30 Ų3044.9 Ų44.916%0.15724%0.236CC..  trans-146170.3-163.4-59.9156.4000109.9Q5 I11 L25 P27 G350Q5-L7 PolarHBondContact NE2-O 2.82Å; L7-I11 HydrophobicContact CD1-CG1 4.44Å; L7-L25 HydrophobicContact CD1-CD1 3.85Å; L7-P27 HydrophobicContact CD1-CB 3.26Å; L7-P27 HydrophobicContact CD2-CB 4.22Å; L7-P27 HydrophobicContact CG-CB 4.32Å; L7-G350 PolarHBondContact N-O 2.73Å
8L85.4Confident91.1Very high132 Ų13251.9 Ų51.969%0.69126%0.259SS*.SBendtrans-92.5-20.3165.9-67.4174.9000111.3
9E89.6Confident91.3Very high102 Ų10254.4 Ų54.448%0.47727%0.273SS..SBendtrans-82.8156.1-179.7-58.584.9169.500112G350E9-G350 WeakPolarHBondContact O-CA 3.29Å; E9-G350 PolarHBondContact O-N 3.28Å
10P94.3Very high91.4Very high32 Ų3255 Ų5521%0.20827%0.272CS..  trans-55.5140.9177.6-26.735.2000114P27 N28 I348P10-P27 CarbonylContact O-C 3.57Å; P10-N28 HydrophobicContact CB-CB 4.02Å; P10-N28 HydrophobicContact CG-CB 4.27Å; P10-N28 WeakPolarHBondContact O-CB 3.44Å; P10-N28 PolarHBondContact O-N 2.83Å; P10-N28 VanDerWaalsContact O-N 3.07Å; P10-I348 VanDerWaalsContact CA-O 3.25Å; P10-I348 WeakPolarHBondContact CA-O 3.26Å; P10-I348 HydrophobicContact CB-CB 4.46Å; P10-I348 HydrophobicContact CB-CG2 4.16Å; P10-I348 HydrophobicContact CG-CG2 3.8Å; P10-I348 WeakPolarHBondContact CG-O 3.33Å
11I97.1Very high91.6Very high1 Ų154.7 Ų54.71%0.00527%0.273CS..  trans-88.1109.7160.4-66.8164.9000107.1F6 L7 L25 T328 T346 G347F6-I11 HydrophobicContact CD2-CD1 4.16Å; L7-I11 HydrophobicContact CD1-CG1 4.44Å; I11-L25 HydrophobicContact CD1-CD2 4.16Å; I11-L25 HydrophobicContact CG1-CD1 4.47Å; I11-L25 HydrophobicContact CG2-CB 4.06Å; I11-T328 PolarHBondContact O-OG1 3.06Å; I11-T346 HydrophobicContact CD1-CG2 4.32Å; I11-T346 HydrophobicContact CG2-CG2 4.14Å; I11-G347 PolarHBondContact N-O 2.85Å; I11-G347 VanDerWaalsContact N-O 3.09Å
12T95.6Very high92.6Very high43 Ų4352.4 Ų52.426%0.26426%0.262SS..  trans-75-37.2-177.255.10000112S26 N28 I55T12-S26 PolarHBondContact N-O 2.88Å; T12-S26 VanDerWaalsContact N-O 3.14Å; T12-S26 WeakPolarHBondContact OG1-CB 3.5Å; T12-S26 PolarHBondContact OG1-O 2.82Å; T12-N28 HydrophobicContact CG2-CB 4.1Å; T12-N28 WeakPolarHBondContact CG2-OD1 3.49Å; T12-I55 PolarHBondContact OG1-O 3.47Å
13C97.7Very high93.3Very high5 Ų549.3 Ų49.33%0.03424%0.24CC..  trans-161.5157.3178.651.10000110.6L25 S26 Q329C13-L25 WeakPolarHBondContact O-CA 3.39Å; C13-S26 PolarHBondContact O-N 2.8Å; C13-S26 VanDerWaalsContact O-N 3.11Å; C13-Q329 VanDerWaalsContact CA-OE1 3.28Å
14H98.3Very high93.8Very high1 Ų145.7 Ų45.71%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-143.7160.9175.675.9-78.5000113.5W16 I23 A24 L25 Q329 S331 T346H14-W16 AromaticContact CD2-CD1 3.78Å; H14-W16 AromaticContact CD2-NE1 3.6Å; H14-W16 AromaticContact NE2-CD1 4Å; H14-W16 AromaticContact NE2-NE1 3.75Å; H14-I23 HydrophobicContact CB-CD1 4.05Å; H14-I23 HydrophobicContact CB-CG1 4.22Å; H14-A24 CarbonylContact C-O 3.56Å; H14-A24 WeakPolarHBondContact CA-O 3.17Å; H14-A24 WeakPolarHBondContact CB-O 3.46Å; H14-L25 HydrophobicContact CB-CB 4.2Å; H14-Q329 VanDerWaalsContact CE1-CD 3.47Å; H14-Q329 VanDerWaalsContact ND1-CD 3.26Å; H14-Q329 PolarHBondContact ND1-OE1 3.31Å; H14-Q329 PolarHBondContact O-NE2 2.99Å; H14-S331 PolarHBondContact NE2-OG 3.24Å; H14-T346 HydrophobicContact CB-CG2 4.28Å; H14-T346 WeakPolarHBondContact ND1-CG2 3.16Å; H14-T346 PolarHBondContact ND1-OG1 3.14Å
15A98.5Very high94.2Very high5 Ų543.3 Ų43.34%0.04121%0.21CC..EExtended strand (participates in β ladder)trans-145.6152.7169.700000111.4I23 A24 I58 W60A15-I23 WeakPolarHBondContact O-CA 3.38Å; A15-A24 PolarHBondContact N-O 2.88Å; A15-A24 PolarHBondContact O-N 2.84Å; A15-I58 HydrophobicContact CB-CB 4.42Å; A15-I58 HydrophobicContact CB-CG2 3.78Å; A15-W60 HydrophobicContact CB-CB 3.77Å
16W98Very high94.6Very high12 Ų1239 Ų395%0.04519%0.19CC..EExtended strand (participates in β ladder)trans-110.6138.2-179.7-73.699000110.7H14 R20 I23 W42 Y333 M352H14-W16 AromaticContact CD2-CD1 3.78Å; H14-W16 AromaticContact CD2-NE1 3.6Å; H14-W16 AromaticContact NE2-CD1 4Å; H14-W16 AromaticContact NE2-NE1 3.75Å; W16-R20 HydrophobicContact CE3-CB 4.22Å; W16-R20 WeakPolarHBondContact CZ3-O 3.4Å; W16-R20 PolarHBondContact O-NH1 3.25Å; W16-I23 HydrophobicContact CD2-CB 4.17Å; W16-I23 HydrophobicContact CD2-CG1 4.35Å; W16-I23 HydrophobicContact CE3-CB 3.88Å; W16-I23 HydrophobicContact CH2-CB 3.76Å; W16-I23 HydrophobicContact CH2-CD1 4.15Å; W16-I23 HydrophobicContact CH2-CG1 4.39Å; W16-I23 HydrophobicContact CH2-CG2 4.2Å; W16-I23 HydrophobicContact CZ2-CB 4.08Å; W16-I23 HydrophobicContact CZ2-CD1 3.69Å; W16-I23 HydrophobicContact CZ2-CG1 4.21Å; W16-I23 HydrophobicContact CZ3-CB 3.65Å; W16-I23 HydrophobicContact CZ3-CG2 4.31Å; W16-W42 AromaticContact CH2-CH2 3.46Å; W16-W42 HydrophobicContact CH2-CH2 3.46Å; W16-W42 VanDerWaalsContact CH2-CH2 3.46Å; W16-W42 AromaticContact CH2-CZ2 3.74Å; W16-W42 HydrophobicContact CH2-CZ2 3.74Å; W16-W42 HydrophobicContact CH2-CZ3 4.29Å; W16-W42 AromaticContact CZ3-CH2 3.39Å; W16-W42 HydrophobicContact CZ3-CH2 3.39Å; W16-W42 HydrophobicContact CZ3-CZ2 4.15Å; W16-W42 HydrophobicContact CZ3-CZ3 4.06Å; W16-Y333 HydrophobicContact CD2-CD2 4.04Å; W16-Y333 HydrophobicContact CD2-CE2 4.02Å; W16-Y333 AromaticContact CE2-CD2 3.72Å; W16-Y333 AromaticContact CE2-CE2 3.86Å; W16-Y333 HydrophobicContact CE3-CD2 4.4Å; W16-Y333 AromaticContact CE3-CE2 3.91Å; W16-Y333 HydrophobicContact CE3-CE2 3.91Å; W16-Y333 HydrophobicContact CH2-CD2 4.23Å; W16-Y333 AromaticContact CH2-CE2 3.56Å; W16-Y333 HydrophobicContact CH2-CE2 3.56Å; W16-Y333 AromaticContact CZ2-CD2 3.81Å; W16-Y333 HydrophobicContact CZ2-CD2 3.81Å; W16-Y333 AromaticContact CZ2-CE2 3.63Å; W16-Y333 HydrophobicContact CZ2-CE2 3.63Å; W16-Y333 AromaticContact CZ3-CE2 3.7Å; W16-Y333 HydrophobicContact CZ3-CE2 3.7Å; W16-M352 HydrophobicContact CH2-CE 4.17Å; W16-M352 HydrophobicContact CZ2-CE 4.24Å; W16-M352 HydrophobicContact CZ2-SD 4.22Å
17N97.3Very high95.1Very high10 Ų1038.3 Ų38.35%0.05319%0.188CC..  trans-67.4172.9168.579.3-30.7000111.3D19 R20 T21 Q22 W60N17-D19 VanDerWaalsContact CG-OD1 3.25Å; N17-D19 PolarHBondContact ND2-OD1 3.41Å; N17-D19 PolarHBondContact O-N 3.09Å; N17-D19 PolarHBondContact OD1-OD1 3.33Å; N17-D19 VanDerWaalsContact OD1-OD1 3.11Å; N17-R20 PolarHBondContact O-N 3.37Å; N17-R20 PolarHBondContact O-NH1 3.03Å; N17-R20 WeakPolarHBondContact OD1-CA 3.32Å; N17-R20 PolarHBondContact OD1-N 3.4Å; N17-R20 VanDerWaalsContact OD1-N 3.1Å; N17-T21 PolarHBondContact ND2-OG1 2.97Å; N17-T21 PolarHBondContact OD1-N 3.39Å; N17-T21 VanDerWaalsContact OD1-N 3.1Å; N17-Q22 HydrophobicContact CB-CB 4.34Å; N17-Q22 PolarHBondContact N-O 3.19Å; N17-Q22 VanDerWaalsContact N-O 3.17Å; N17-Q22 PolarHBondContact OD1-N 2.66Å; N17-Q22 PolarHBondContact OD1-O 2.89Å; N17-W60 HydrophobicContact CB-CD2 3.79Å; N17-W60 HydrophobicContact CB-CE3 4.01Å; N17-W60 HydrophobicContact CB-CG 4.46Å; N17-W60 HydrophobicContact CB-CH2 3.83Å; N17-W60 HydrophobicContact CB-CZ2 3.58Å; N17-W60 HydrophobicContact CB-CZ3 4.03Å
18R95.5Very high95.7Very high172 Ų17240.1 Ų40.165%0.64920%0.198SC*.THydrogen-bonded Turntrans-51.2-50.7-174-171.1-172.2179.3129-5.8114.5R20 P62R18-R20 VanDerWaalsContact C-N 3.35Å; R18-P62 HydrophobicContact CB-CB 4.01Å; R18-P62 VanDerWaalsContact CB-O 3.25Å; R18-P62 WeakPolarHBondContact CB-O 3.41Å; R18-P62 VanDerWaalsContact CD-O 3.26Å; R18-P62 WeakPolarHBondContact CD-O 3.39Å; R18-P62 HydrophobicContact CG-CB 4.05Å; R18-P62 WeakPolarHBondContact CG-O 3.36Å
19D93.8Very high96.2Very high99 Ų9935.7 Ų35.753%0.52918%0.175SC..THydrogen-bonded Turntrans-92.43.4-172.167.23.2000113.3N17 T21N17-D19 VanDerWaalsContact CG-OD1 3.25Å; N17-D19 PolarHBondContact ND2-OD1 3.41Å; N17-D19 PolarHBondContact O-N 3.09Å; N17-D19 PolarHBondContact OD1-OD1 3.33Å; N17-D19 VanDerWaalsContact OD1-OD1 3.11Å; D19-T21 HydrophobicContact CB-CG2 4.31Å; D19-T21 VanDerWaalsContact CG-CG2 3.43Å; D19-T21 VanDerWaalsContact CG-OG1 3.28Å; D19-T21 PolarHBondContact O-N 2.96Å; D19-T21 VanDerWaalsContact OD1-CB 3.32Å; D19-T21 WeakPolarHBondContact OD1-CB 3.38Å; D19-T21 WeakPolarHBondContact OD1-CG2 3.4Å; D19-T21 PolarHBondContact OD1-N 3.02Å; D19-T21 PolarHBondContact OD1-OG1 3.49Å; D19-T21 WeakPolarHBondContact OD2-CG2 3.2Å; D19-T21 PolarHBondContact OD2-OG1 2.87Å
20R94.5Very high96.6Very high65 Ų6534.9 Ų34.925%0.24517%0.171CC..SBendtrans60.623179.3-47.1-61.4-174.1-134.36114.4W16 N17 R18 Y333W16-R20 HydrophobicContact CE3-CB 4.22Å; W16-R20 WeakPolarHBondContact CZ3-O 3.4Å; W16-R20 PolarHBondContact O-NH1 3.25Å; N17-R20 PolarHBondContact O-N 3.37Å; N17-R20 PolarHBondContact O-NH1 3.03Å; N17-R20 WeakPolarHBondContact OD1-CA 3.32Å; N17-R20 PolarHBondContact OD1-N 3.4Å; N17-R20 VanDerWaalsContact OD1-N 3.1Å; R18-R20 VanDerWaalsContact C-N 3.35Å; R20-Y333 HydrophobicContact CB-CD2 4.22Å; R20-Y333 HydrophobicContact CB-CE1 4.47Å; R20-Y333 HydrophobicContact CB-CE2 3.62Å; R20-Y333 WeakPolarHBondContact CD-O 3.28Å; R20-Y333 HydrophobicContact CG-CD2 4.36Å; R20-Y333 HydrophobicContact CG-CE2 4.25Å; R20-Y333 WeakPolarHBondContact CG-O 3.34Å; R20-Y333 PolarHBondContact NE-O 3.02Å; R20-Y333 PolarHBondContact O-OH 3.1Å
21T95Very high96.7Very high50 Ų5034.4 Ų34.431%0.30717%0.165SC..SBendtrans-85-18.1174.163.90000112.6N17 D19 K37N17-T21 PolarHBondContact ND2-OG1 2.97Å; N17-T21 PolarHBondContact OD1-N 3.39Å; N17-T21 VanDerWaalsContact OD1-N 3.1Å; D19-T21 HydrophobicContact CB-CG2 4.31Å; D19-T21 VanDerWaalsContact CG-CG2 3.43Å; D19-T21 VanDerWaalsContact CG-OG1 3.28Å; D19-T21 PolarHBondContact O-N 2.96Å; D19-T21 VanDerWaalsContact OD1-CB 3.32Å; D19-T21 WeakPolarHBondContact OD1-CB 3.38Å; D19-T21 WeakPolarHBondContact OD1-CG2 3.4Å; D19-T21 PolarHBondContact OD1-N 3.02Å; D19-T21 PolarHBondContact OD1-OG1 3.49Å; D19-T21 WeakPolarHBondContact OD2-CG2 3.2Å; D19-T21 PolarHBondContact OD2-OG1 2.87Å; T21-K37 PolarHBondContact O-N 2.95Å
22Q97Very high96.8Very high36 Ų3634.3 Ų34.317%0.16817%0.165CC..EExtended strand (participates in β ladder)trans-131.1140.4178.8-61.3-178.25800112.1N17 I34 Y35 K36 W60N17-Q22 HydrophobicContact CB-CB 4.34Å; N17-Q22 PolarHBondContact N-O 3.19Å; N17-Q22 VanDerWaalsContact N-O 3.17Å; N17-Q22 PolarHBondContact OD1-N 2.66Å; N17-Q22 PolarHBondContact OD1-O 2.89Å; Q22-I34 HydrophobicContact CB-CG2 4.15Å; Q22-Y35 WeakPolarHBondContact CA-O 3.34Å; Q22-K36 HydrophobicContact CG-CB 4.12Å; Q22-K36 HydrophobicContact CG-CG 4.13Å; Q22-W60 HydrophobicContact CB-CH2 3.86Å; Q22-W60 HydrophobicContact CB-CZ3 4.14Å
23I97.8Very high96.9Very high0 Ų033.1 Ų33.10%016%0.156CC..EExtended strand (participates in β ladder)trans-119128.7172.2-175.9173.6000109.2F6 H14 A15 W16 I34 Y35 W42 M352F6-I23 HydrophobicContact CE2-CG2 4.32Å; F6-I23 HydrophobicContact CZ-CG2 3.75Å; H14-I23 HydrophobicContact CB-CD1 4.05Å; H14-I23 HydrophobicContact CB-CG1 4.22Å; A15-I23 WeakPolarHBondContact O-CA 3.38Å; W16-I23 HydrophobicContact CD2-CB 4.17Å; W16-I23 HydrophobicContact CD2-CG1 4.35Å; W16-I23 HydrophobicContact CE3-CB 3.88Å; W16-I23 HydrophobicContact CH2-CB 3.76Å; W16-I23 HydrophobicContact CH2-CD1 4.15Å; W16-I23 HydrophobicContact CH2-CG1 4.39Å; W16-I23 HydrophobicContact CH2-CG2 4.2Å; W16-I23 HydrophobicContact CZ2-CB 4.08Å; W16-I23 HydrophobicContact CZ2-CD1 3.69Å; W16-I23 HydrophobicContact CZ2-CG1 4.21Å; W16-I23 HydrophobicContact CZ3-CB 3.65Å; W16-I23 HydrophobicContact CZ3-CG2 4.31Å; I23-I34 CarbonylContact O-C 3.59Å; I23-I34 WeakPolarHBondContact O-CA 3.23Å; I23-Y35 PolarHBondContact N-O 3.45Å; I23-Y35 PolarHBondContact O-N 2.9Å; I23-W42 HydrophobicContact CG2-CE3 4.05Å; I23-W42 HydrophobicContact CG2-CH2 4.47Å; I23-W42 HydrophobicContact CG2-CZ3 3.9Å; I23-M352 HydrophobicContact CD1-CG 4.19Å
24A98.4Very high96.9Very high0 Ų032.9 Ų32.90%016%0.155CC..EExtended strand (participates in β ladder)trans-95.1130.8166.400000108.3H14 A15 V32 H33 I34 I58 W60 I67H14-A24 CarbonylContact C-O 3.56Å; H14-A24 WeakPolarHBondContact CA-O 3.17Å; H14-A24 WeakPolarHBondContact CB-O 3.46Å; A15-A24 PolarHBondContact N-O 2.88Å; A15-A24 PolarHBondContact O-N 2.84Å; A24-V32 HydrophobicContact CB-CG1 3.81Å; A24-H33 WeakPolarHBondContact CA-O 3.25Å; A24-I34 HydrophobicContact CB-CG1 4.12Å; A24-I58 HydrophobicContact CB-CG2 4.18Å; A24-W60 HydrophobicContact CB-CE3 3.75Å; A24-W60 HydrophobicContact CB-CZ3 3.71Å; A24-I67 HydrophobicContact CB-CD1 4.31Å
25L97.9Very high96.8Very high0 Ų034 Ų340%016%0.159CC..EExtended strand (participates in β ladder)trans-141.2153177.561.383000111F6 L7 I11 C13 H14 V32 H33 Y35F6-L25 HydrophobicContact CB-CD2 4.35Å; F6-L25 HydrophobicContact CD1-CD2 4.28Å; F6-L25 HydrophobicContact CD2-CD2 3.6Å; F6-L25 HydrophobicContact CE1-CD2 4.5Å; F6-L25 HydrophobicContact CE2-CD2 3.85Å; F6-L25 HydrophobicContact CG-CD2 3.84Å; F6-L25 HydrophobicContact CZ-CD2 4.31Å; L7-L25 HydrophobicContact CD1-CD1 3.85Å; I11-L25 HydrophobicContact CD1-CD2 4.16Å; I11-L25 HydrophobicContact CG1-CD1 4.47Å; I11-L25 HydrophobicContact CG2-CB 4.06Å; C13-L25 WeakPolarHBondContact O-CA 3.39Å; H14-L25 HydrophobicContact CB-CB 4.2Å; L25-V32 WeakPolarHBondContact O-CA 3.4Å; L25-H33 HydrophobicContact CD1-CB 4.29Å; L25-H33 PolarHBondContact N-O 2.91Å; L25-H33 PolarHBondContact O-N 3.26Å; L25-Y35 HydrophobicContact CD1-CE2 4.24Å; L25-Y35 HydrophobicContact CD2-CD2 4.11Å; L25-Y35 HydrophobicContact CD2-CE2 4.22Å; L25-Y35 HydrophobicContact CG-CD2 4.32Å; L25-Y35 HydrophobicContact CG-CE2 4.32Å
26S97.4Very high96.7Very high0 Ų038.2 Ų38.20%018%0.177CC..  trans-102.7122.3169.41800000110.6T12 C13 N28 N29 E31T12-S26 PolarHBondContact N-O 2.88Å; T12-S26 VanDerWaalsContact N-O 3.14Å; T12-S26 WeakPolarHBondContact OG1-CB 3.5Å; T12-S26 PolarHBondContact OG1-O 2.82Å; C13-S26 PolarHBondContact O-N 2.8Å; C13-S26 VanDerWaalsContact O-N 3.11Å; S26-N28 PolarHBondContact O-N 2.73Å; S26-N29 PolarHBondContact OG-O 3.37Å; S26-E31 PolarHBondContact OG-O 2.88Å
27P95.7Very high96.5Very high10 Ų1041.5 Ų41.57%0.06519%0.191CC..  trans-83.450.6-177.838.2-39.9000111.5L7 P10 N29 E31L7-P27 HydrophobicContact CD1-CB 3.26Å; L7-P27 HydrophobicContact CD2-CB 4.22Å; L7-P27 HydrophobicContact CG-CB 4.32Å; P10-P27 CarbonylContact O-C 3.57Å; P27-N29 VanDerWaalsContact C-N 3.26Å; P27-N29 WeakPolarHBondContact CD-OD1 3.35Å; P27-N29 VanDerWaalsContact CG-OD1 3.27Å; P27-N29 WeakPolarHBondContact CG-OD1 3.4Å; P27-N29 PolarHBondContact O-N 2.88Å; P27-E31 WeakPolarHBondContact CD-O 3.31Å
28N95.7Very high96.2Very high68 Ų6845.2 Ų45.236%0.36421%0.211SC..SBendtrans55.535.4-176.6-16434.9000114.6P10 T12 S26 H54P10-N28 HydrophobicContact CB-CB 4.02Å; P10-N28 HydrophobicContact CG-CB 4.27Å; P10-N28 WeakPolarHBondContact O-CB 3.44Å; P10-N28 PolarHBondContact O-N 2.83Å; P10-N28 VanDerWaalsContact O-N 3.07Å; T12-N28 HydrophobicContact CG2-CB 4.1Å; T12-N28 WeakPolarHBondContact CG2-OD1 3.49Å; S26-N28 PolarHBondContact O-N 2.73Å; N28-H54 PolarHBondContact O-CE1 3.4Å; N28-H54 PolarHBondContact O-ND1 3.47Å
29N95.5Very high95.8Very high39 Ų3940.2 Ų40.221%0.20921%0.213CC..SBendtrans-141.9-162.9-179.175.51.8000111.8S26 P27 E31 H54 I55S26-N29 PolarHBondContact OG-O 3.37Å; P27-N29 VanDerWaalsContact C-N 3.26Å; P27-N29 WeakPolarHBondContact CD-OD1 3.35Å; P27-N29 VanDerWaalsContact CG-OD1 3.27Å; P27-N29 WeakPolarHBondContact CG-OD1 3.4Å; P27-N29 PolarHBondContact O-N 2.88Å; N29-E31 VanDerWaalsContact C-N 3.31Å; N29-E31 PolarHBondContact ND2-OE2 2.62Å; N29-E31 WeakPolarHBondContact OD1-CA 3.28Å; N29-E31 WeakPolarHBondContact OD1-CB 3.18Å; N29-E31 PolarHBondContact OD1-N 3.14Å; N29-E31 PolarHBondContact OD1-O 2.94Å; N29-H54 WeakPolarHBondContact O-CA 3.32Å; N29-I55 PolarHBondContact O-N 3.16Å
30H96.9Very high95.4Very high85 Ų8540.8 Ų40.839%0.39423%0.225SC..SBendtrans-89.812.7-178.962-88.2000113.8H51 G53H30-H51 HydrophobicContact CB-CB 4.46Å; H30-H51 WeakPolarHBondContact CB-O 3.26Å; H30-G53 WeakPolarHBondContact CA-O 3.44Å; H30-G53 WeakPolarHBondContact CB-O 3.32Å
31E97.8Very high95.2Very high21 Ų2144.1 Ų44.110%0.09824%0.243CC..  trans-120.6156.7-176-52179153.900111.1S26 P27 N29 H33 E47 L48 K49S26-E31 PolarHBondContact OG-O 2.88Å; P27-E31 WeakPolarHBondContact CD-O 3.31Å; N29-E31 VanDerWaalsContact C-N 3.31Å; N29-E31 PolarHBondContact ND2-OE2 2.62Å; N29-E31 WeakPolarHBondContact OD1-CA 3.28Å; N29-E31 WeakPolarHBondContact OD1-CB 3.18Å; N29-E31 PolarHBondContact OD1-N 3.14Å; N29-E31 PolarHBondContact OD1-O 2.94Å; E31-H33 IonicContact OE2-CD2 3.13Å; E31-H33 IonicContact OE2-CE1 2.68Å; E31-H33 IonicContact OE2-NE2 3.32Å; E31-H33 PolarHBondContact OE2-NE2 3.47Å; E31-E47 VanDerWaalsContact OE2-OE1 3.14Å; E31-L48 WeakPolarHBondContact CA-O 3.34Å; E31-K49 HydrophobicContact CG-CG 4.08Å; E31-K49 IonicContact OE1-NZ 2.74Å; E31-K49 PolarHBondContact OE1-NZ 2.73Å
32V98.3Very high95.1Very high0 Ų043 Ų430%023%0.234CC..EExtended strand (participates in β ladder)trans-112.1128.2164.3-179.50000109.2A24 L25 E47 L48 I55 I58 T69A24-V32 HydrophobicContact CB-CG1 3.81Å; L25-V32 WeakPolarHBondContact O-CA 3.4Å; V32-E47 WeakPolarHBondContact O-CA 3.39Å; V32-L48 HydrophobicContact CB-CB 4.06Å; V32-L48 HydrophobicContact CB-CD2 4.27Å; V32-L48 HydrophobicContact CG1-CD2 4.48Å; V32-L48 PolarHBondContact N-O 3.44Å; V32-L48 VanDerWaalsContact N-O 3.07Å; V32-L48 PolarHBondContact O-N 2.8Å; V32-I55 HydrophobicContact CG2-CD1 3.33Å; V32-I55 HydrophobicContact CG2-CG2 4.37Å; V32-I58 HydrophobicContact CB-CD1 4.35Å; V32-I58 HydrophobicContact CG1-CD1 3.84Å; V32-I58 HydrophobicContact CG2-CD1 3.67Å; V32-I58 HydrophobicContact CG2-CG1 4.07Å; V32-T69 HydrophobicContact CG2-CG2 3.74Å
33H97.9Very high95Very high17 Ų1744 Ų448%0.07924%0.242CC..EExtended strand (participates in β ladder)trans-101.9128.5173.7-65.1-174.4000108.6A24 L25 E31 Y35 K44 E47A24-H33 WeakPolarHBondContact CA-O 3.25Å; L25-H33 HydrophobicContact CD1-CB 4.29Å; L25-H33 PolarHBondContact N-O 2.91Å; L25-H33 PolarHBondContact O-N 3.26Å; E31-H33 IonicContact OE2-CD2 3.13Å; E31-H33 IonicContact OE2-CE1 2.68Å; E31-H33 IonicContact OE2-NE2 3.32Å; E31-H33 PolarHBondContact OE2-NE2 3.47Å; H33-Y35 HydrophobicContact CB-CD2 4.24Å; H33-Y35 HydrophobicContact CB-CE2 3.65Å; H33-K44 HydrophobicContact CB-CD 4.17Å; H33-E47 IonicContact NE2-OE1 3.87Å
34I97.8Very high94.9Very high0 Ų048.8 Ų48.80%026%0.263CS..EExtended strand (participates in β ladder)trans-104.7119.6175.3-55.7-178.8000108.4Q22 I23 A24 A45 H46 L48 W60 I67 W86Q22-I34 HydrophobicContact CB-CG2 4.15Å; I23-I34 CarbonylContact O-C 3.59Å; I23-I34 WeakPolarHBondContact O-CA 3.23Å; A24-I34 HydrophobicContact CB-CG1 4.12Å; I34-A45 PolarHBondContact O-N 3.07Å; I34-H46 HydrophobicContact CB-CB 4.06Å; I34-H46 HydrophobicContact CD1-CB 4.17Å; I34-H46 HydrophobicContact CG1-CB 4.31Å; I34-H46 PolarHBondContact N-O 3.34Å; I34-H46 PolarHBondContact O-N 3.3Å; I34-L48 HydrophobicContact CD1-CD1 3.64Å; I34-L48 HydrophobicContact CD1-CD2 4.23Å; I34-L48 HydrophobicContact CG1-CD1 3.97Å; I34-W60 HydrophobicContact CD1-CH2 4.18Å; I34-W60 HydrophobicContact CG2-CH2 3.86Å; I34-W60 HydrophobicContact CG2-CZ3 4.1Å; I34-I67 HydrophobicContact CD1-CD1 3.59Å; I34-I67 HydrophobicContact CG1-CD1 4.49Å; I34-W86 HydrophobicContact CD1-CD2 4.4Å; I34-W86 HydrophobicContact CD1-CZ2 4.1Å
35Y97.4Very high94.8Very high26 Ų2651 Ų5110%0.10228%0.281CS..EExtended strand (participates in β ladder)trans-104.3137.6175.7-71.1-101.4000110.4F6 Q22 I23 L25 H33 W42 T43 K44F6-Y35 AromaticContact CD1-CD1 3.65Å; F6-Y35 HydrophobicContact CD1-CD1 3.65Å; F6-Y35 AromaticContact CD1-CD2 3.9Å; F6-Y35 HydrophobicContact CD1-CD2 3.9Å; F6-Y35 AromaticContact CD1-CE1 3.64Å; F6-Y35 HydrophobicContact CD1-CE1 3.64Å; F6-Y35 AromaticContact CD1-CE2 3.9Å; F6-Y35 HydrophobicContact CD1-CE2 3.9Å; F6-Y35 AromaticContact CD1-CG 3.78Å; F6-Y35 HydrophobicContact CD1-CG 3.78Å; F6-Y35 AromaticContact CD1-CZ 3.77Å; F6-Y35 AromaticContact CE1-CD1 3.5Å; F6-Y35 HydrophobicContact CE1-CD1 3.5Å; F6-Y35 AromaticContact CE1-CD2 3.83Å; F6-Y35 HydrophobicContact CE1-CD2 3.83Å; F6-Y35 HydrophobicContact CE1-CE1 4.01Å; F6-Y35 HydrophobicContact CE1-CE2 4.31Å; F6-Y35 AromaticContact CE1-CG 3.4Å; F6-Y35 HydrophobicContact CE1-CG 3.4Å; F6-Y35 HydrophobicContact CZ-CG 4.33Å; Q22-Y35 WeakPolarHBondContact CA-O 3.34Å; I23-Y35 PolarHBondContact N-O 3.45Å; I23-Y35 PolarHBondContact O-N 2.9Å; L25-Y35 HydrophobicContact CD1-CE2 4.24Å; L25-Y35 HydrophobicContact CD2-CD2 4.11Å; L25-Y35 HydrophobicContact CD2-CE2 4.22Å; L25-Y35 HydrophobicContact CG-CD2 4.32Å; L25-Y35 HydrophobicContact CG-CE2 4.32Å; H33-Y35 HydrophobicContact CB-CD2 4.24Å; H33-Y35 HydrophobicContact CB-CE2 3.65Å; Y35-W42 HydrophobicContact CD1-CB 4.25Å; Y35-T43 WeakPolarHBondContact CA-O 3.31Å; Y35-K44 HydrophobicContact CD1-CB 4.09Å; Y35-K44 HydrophobicContact CE1-CB 3.79Å
36K96Very high94.8Very high93 Ų9353.8 Ų53.840%0.40429%0.294SS..EExtended strand (participates in β ladder)trans-107.5139.3174.1-175.9173.5178.7176.20110.4Q22 W42 T43 A45Q22-K36 HydrophobicContact CG-CB 4.12Å; Q22-K36 HydrophobicContact CG-CG 4.13Å; K36-W42 WeakPolarHBondContact O-CA 3.28Å; K36-T43 PolarHBondContact N-O 3.5Å; K36-T43 PolarHBondContact O-N 2.57Å; K36-T43 PolarHBondContact O-OG1 3.04Å; K36-A45 HydrophobicContact CB-CB 4.19Å
37K93.4Very high94.7Very high81 Ų8157 Ų5735%0.35231%0.309SS..EExtended strand (participates in β ladder)trans-81.7124.2175.4-160.1177.4-177.8177.40110.9T21 G39 W42T21-K37 PolarHBondContact O-N 2.95Å; K37-G39 VanDerWaalsContact CE-O 3.23Å; K37-G39 WeakPolarHBondContact CE-O 3.24Å; K37-W42 HydrophobicContact CB-CD2 4.24Å; K37-W42 HydrophobicContact CB-CE3 3.95Å; K37-W42 HydrophobicContact CB-CH2 3.55Å; K37-W42 HydrophobicContact CB-CZ2 3.93Å; K37-W42 HydrophobicContact CB-CZ3 3.61Å; K37-W42 HydrophobicContact CD-CH2 4Å; K37-W42 HydrophobicContact CD-CZ2 3.74Å; K37-W42 HydrophobicContact CG-CD2 4.37Å; K37-W42 HydrophobicContact CG-CH2 4.02Å; K37-W42 HydrophobicContact CG-CZ2 3.87Å; K37-W42 HydrophobicContact CG-CZ3 4.41Å
38N90.3Very high94.9Very high87 Ų8756.7 Ų56.747%0.46531%0.307SS..EExtended strand (participates in β ladder)trans-123.597170.7-68.4-33.7000108.3S40 Q41 T43N38-S40 PolarHBondContact O-N 2.93Å; N38-Q41 PolarHBondContact N-O 2.71Å; N38-Q41 PolarHBondContact O-N 3.11Å; N38-Q41 VanDerWaalsContact O-N 3.14Å; N38-T43 PolarHBondContact ND2-OG1 3.46Å
39G87.9Confident94.9Very high68 Ų6859 Ų5970%0.70131%0.314SS*.THydrogen-bonded Turntrans65.1-116.8-172.400000112K37K37-G39 VanDerWaalsContact CE-O 3.23Å; K37-G39 WeakPolarHBondContact CE-O 3.24Å
40S85.1Confident95.1Very high111 Ų11161.3 Ų61.378%0.77632%0.323SS*.THydrogen-bonded Turntrans-93.8-7176.458.50000113.9N38N38-S40 PolarHBondContact O-N 2.93Å
41Q89.4Confident95.1Very high134 Ų13457.4 Ų57.463%0.62631%0.305SS*.EExtended strand (participates in β ladder)trans-102.3149.9-176.6-65.8-174-12.100111.6N38N38-Q41 PolarHBondContact N-O 2.71Å; N38-Q41 PolarHBondContact O-N 3.11Å; N38-Q41 VanDerWaalsContact O-N 3.14Å
42W93.5Very high95.1Very high28 Ų2863.1 Ų63.111%0.10634%0.336CS..EExtended strand (participates in β ladder)trans-109.4132.8169.3-67.892.7000109.6H4 F6 W16 I23 Y35 K36 K37 M352H4-W42 AromaticContact CD2-CD1 3.52Å; H4-W42 AromaticContact CE1-CD1 3.73Å; H4-W42 AromaticContact CG-CD1 3.51Å; H4-W42 AromaticContact ND1-CD1 3.64Å; H4-W42 AromaticContact NE2-CD1 3.65Å; H4-W42 AromaticContact NE2-CG 3.91Å; F6-W42 HydrophobicContact CE1-CB 3.62Å; F6-W42 HydrophobicContact CE1-CD2 4.29Å; F6-W42 AromaticContact CE1-CG 3.84Å; F6-W42 HydrophobicContact CE1-CG 3.84Å; F6-W42 HydrophobicContact CZ-CB 4.19Å; F6-W42 HydrophobicContact CZ-CD2 4.01Å; F6-W42 HydrophobicContact CZ-CE3 4.41Å; F6-W42 AromaticContact CZ-CG 3.88Å; F6-W42 HydrophobicContact CZ-CG 3.88Å; W16-W42 AromaticContact CH2-CH2 3.46Å; W16-W42 HydrophobicContact CH2-CH2 3.46Å; W16-W42 VanDerWaalsContact CH2-CH2 3.46Å; W16-W42 AromaticContact CH2-CZ2 3.74Å; W16-W42 HydrophobicContact CH2-CZ2 3.74Å; W16-W42 HydrophobicContact CH2-CZ3 4.29Å; W16-W42 AromaticContact CZ3-CH2 3.39Å; W16-W42 HydrophobicContact CZ3-CH2 3.39Å; W16-W42 HydrophobicContact CZ3-CZ2 4.15Å; W16-W42 HydrophobicContact CZ3-CZ3 4.06Å; I23-W42 HydrophobicContact CG2-CE3 4.05Å; I23-W42 HydrophobicContact CG2-CH2 4.47Å; I23-W42 HydrophobicContact CG2-CZ3 3.9Å; Y35-W42 HydrophobicContact CD1-CB 4.25Å; K36-W42 WeakPolarHBondContact O-CA 3.28Å; K37-W42 HydrophobicContact CB-CD2 4.24Å; K37-W42 HydrophobicContact CB-CE3 3.95Å; K37-W42 HydrophobicContact CB-CH2 3.55Å; K37-W42 HydrophobicContact CB-CZ2 3.93Å; K37-W42 HydrophobicContact CB-CZ3 3.61Å; K37-W42 HydrophobicContact CD-CH2 4Å; K37-W42 HydrophobicContact CD-CZ2 3.74Å; K37-W42 HydrophobicContact CG-CD2 4.37Å; K37-W42 HydrophobicContact CG-CH2 4.02Å; K37-W42 HydrophobicContact CG-CZ2 3.87Å; K37-W42 HydrophobicContact CG-CZ3 4.41Å; W42-M352 HydrophobicContact CZ2-CE 4.09Å
43T94.8Very high95Very high55 Ų5563.9 Ų63.934%0.33734%0.344SS..EExtended strand (participates in β ladder)trans-124.5132.8178.854.10000109.7Y35 K36 N38 A45Y35-T43 WeakPolarHBondContact CA-O 3.31Å; K36-T43 PolarHBondContact N-O 3.5Å; K36-T43 PolarHBondContact O-N 2.57Å; K36-T43 PolarHBondContact O-OG1 3.04Å; N38-T43 PolarHBondContact ND2-OG1 3.46Å; T43-A45 PolarHBondContact O-N 2.63Å
44K95.6Very high95Very high102 Ų10267.9 Ų67.944%0.44336%0.363SS..EExtended strand (participates in β ladder)trans-64117.3175.3-172.9171.663.8164.70109.1H33 Y35 E47H33-K44 HydrophobicContact CB-CD 4.17Å; Y35-K44 HydrophobicContact CD1-CB 4.09Å; Y35-K44 HydrophobicContact CE1-CB 3.79Å; K44-E47 IonicContact NZ-OE2 2.95Å; K44-E47 PolarHBondContact NZ-OE2 2.96Å
45A96.1Very high95Very high46 Ų4668 Ų6838%0.3836%0.363SS..EExtended strand (participates in β ladder)trans-99.6-37.5-178.100000112I34 K36 T43I34-A45 PolarHBondContact O-N 3.07Å; K36-A45 HydrophobicContact CB-CB 4.19Å; T43-A45 PolarHBondContact O-N 2.63Å
46H97.4Very high95Very high58 Ų5868.7 Ų68.727%0.26937%0.37SS..EExtended strand (participates in β ladder)trans-141.7160-178.8-54.5-76.5000112.3I34 L48 G84 W86I34-H46 HydrophobicContact CB-CB 4.06Å; I34-H46 HydrophobicContact CD1-CB 4.17Å; I34-H46 HydrophobicContact CG1-CB 4.31Å; I34-H46 PolarHBondContact N-O 3.34Å; I34-H46 PolarHBondContact O-N 3.3Å; H46-L48 HydrophobicContact CB-CD1 3.99Å; H46-G84 PolarHBondContact CE1-O 2.91Å; H46-W86 AromaticContact CD2-CD1 3.89Å; H46-W86 AromaticContact CD2-NE1 3.54Å; H46-W86 AromaticContact CG-CD1 3.65Å; H46-W86 AromaticContact CG-NE1 3.79Å; H46-W86 AromaticContact ND1-CD1 3.87Å; H46-W86 AromaticContact NE2-NE1 3.87Å
47E97.1Very high95.1Very high68 Ų6864.4 Ų64.432%0.31835%0.352SS..EExtended strand (participates in β ladder)trans-138.7120.5176.6-163.2164.7144.700108.8E31 V32 H33 K44 K49E31-E47 VanDerWaalsContact OE2-OE1 3.14Å; V32-E47 WeakPolarHBondContact O-CA 3.39Å; H33-E47 IonicContact NE2-OE1 3.87Å; K44-E47 IonicContact NZ-OE2 2.95Å; K44-E47 PolarHBondContact NZ-OE2 2.96Å; E47-K49 VanDerWaalsContact CD-CE 3.47Å; E47-K49 HydrophobicContact CG-CG 4.06Å; E47-K49 WeakPolarHBondContact OE1-CE 3.34Å; E47-K49 IonicContact OE1-NZ 3.95Å; E47-K49 PolarHBondContact OE1-NZ 2.89Å
48L98.3Very high95.4Very high4 Ų460.7 Ų60.72%0.02134%0.336CS..EExtended strand (participates in β ladder)trans-107.1110.5-173.9-75.256.8000107.5E31 V32 I34 H46 I67 W79 W86E31-L48 WeakPolarHBondContact CA-O 3.34Å; V32-L48 HydrophobicContact CB-CB 4.06Å; V32-L48 HydrophobicContact CB-CD2 4.27Å; V32-L48 HydrophobicContact CG1-CD2 4.48Å; V32-L48 PolarHBondContact N-O 3.44Å; V32-L48 VanDerWaalsContact N-O 3.07Å; V32-L48 PolarHBondContact O-N 2.8Å; I34-L48 HydrophobicContact CD1-CD1 3.64Å; I34-L48 HydrophobicContact CD1-CD2 4.23Å; I34-L48 HydrophobicContact CG1-CD1 3.97Å; H46-L48 HydrophobicContact CB-CD1 3.99Å; L48-I67 HydrophobicContact CD2-CD1 4.32Å; L48-W79 HydrophobicContact CB-CD2 4.34Å; L48-W79 HydrophobicContact CB-CE3 4.12Å; L48-W79 HydrophobicContact CB-CH2 3.63Å; L48-W79 HydrophobicContact CB-CZ2 3.9Å; L48-W79 HydrophobicContact CB-CZ3 3.76Å; L48-W79 HydrophobicContact CD2-CB 4.37Å; L48-W79 HydrophobicContact CD2-CD2 3.66Å; L48-W79 HydrophobicContact CD2-CE3 3.89Å; L48-W79 HydrophobicContact CD2-CG 3.88Å; L48-W79 HydrophobicContact CD2-CZ3 4.4Å; L48-W79 HydrophobicContact CG-CD2 4.05Å; L48-W79 HydrophobicContact CG-CE3 3.77Å; L48-W79 HydrophobicContact CG-CH2 4.24Å; L48-W79 HydrophobicContact CG-CZ3 3.87Å; L48-W86 HydrophobicContact CD1-CB 4.27Å; L48-W86 HydrophobicContact CD1-CG 4.2Å; L48-W86 HydrophobicContact CG-CB 4.23Å; L48-W86 HydrophobicContact CG-CG 4.5Å
49K97Very high95.8Very high116 Ų11657.7 Ų57.750%0.50432%0.32SS..  trans-124.784.4-170-57.5177.2-176.8-98.40111.3E31 E47E31-K49 HydrophobicContact CG-CG 4.08Å; E31-K49 IonicContact OE1-NZ 2.74Å; E31-K49 PolarHBondContact OE1-NZ 2.73Å; E47-K49 VanDerWaalsContact CD-CE 3.47Å; E47-K49 HydrophobicContact CG-CG 4.06Å; E47-K49 WeakPolarHBondContact OE1-CE 3.34Å; E47-K49 IonicContact OE1-NZ 3.95Å; E47-K49 PolarHBondContact OE1-NZ 2.89Å
50E98.1Very high96.3Very high87 Ų8754.9 Ų54.941%0.40729%0.288SS..  trans-136.4-24.8177.4-16469-148.300113.2Y77 W79 P88E50-Y77 HydrophobicContact CB-CD2 4.28Å; E50-Y77 HydrophobicContact CB-CE2 4.07Å; E50-Y77 HydrophobicContact CG-CD1 4.03Å; E50-Y77 HydrophobicContact CG-CD2 4.25Å; E50-Y77 HydrophobicContact CG-CE1 3.55Å; E50-Y77 HydrophobicContact CG-CE2 3.79Å; E50-Y77 HydrophobicContact CG-CG 4.37Å; E50-Y77 VanDerWaalsContact CG-CZ 3.41Å; E50-W79 HydrophobicContact CB-CH2 3.47Å; E50-W79 VanDerWaalsContact CB-CH2 3.47Å; E50-W79 HydrophobicContact CB-CZ2 3.79Å; E50-P88 HydrophobicContact CB-CB 4.3Å; E50-P88 HydrophobicContact CB-CG 4.13Å; E50-P88 HydrophobicContact CG-CB 4.06Å; E50-P88 HydrophobicContact CG-CG 3.8Å
51H98.1Very high96.9Very high3 Ų349.6 Ų49.61%0.01425%0.251CS..  trans-70.4147.7175.8-80.8-77.3000111.3H30 I55 T69 D73 N75 Y77H30-H51 HydrophobicContact CB-CB 4.46Å; H30-H51 WeakPolarHBondContact CB-O 3.26Å; H51-I55 HydrophobicContact CB-CD1 4.37Å; H51-I55 HydrophobicContact CB-CG1 4.11Å; H51-T69 PolarHBondContact CD2-OG1 2.91Å; H51-T69 WeakPolarHBondContact NE2-CB 3.45Å; H51-T69 PolarHBondContact NE2-OG1 3.27Å; H51-D73 WeakPolarHBondContact CA-OD2 3.25Å; H51-D73 IonicContact CE1-OD1 3.56Å; H51-D73 IonicContact CG-OD2 2.57Å; H51-D73 VanDerWaalsContact ND1-CG 3.31Å; H51-D73 IonicContact ND1-OD1 2.72Å; H51-D73 PolarHBondContact ND1-OD1 2.94Å; H51-D73 IonicContact ND1-OD2 3.98Å; H51-D73 PolarHBondContact ND1-OD2 3.02Å; H51-N75 PolarHBondContact CE1-O 3.32Å; H51-Y77 AromaticContact CD2-CD2 3.78Å; H51-Y77 AromaticContact CE1-CD2 3.58Å; H51-Y77 AromaticContact CE1-CE2 3.91Å; H51-Y77 AromaticContact ND1-CD2 3.93Å; H51-Y77 AromaticContact ND1-CE2 3.82Å; H51-Y77 AromaticContact NE2-CD2 3.49Å; H51-Y77 WeakPolarHBondContact NE2-CD2 3.39Å
52N96.7Very high97.2Very high142 Ų14245.8 Ų45.876%0.75924%0.239SC*.SBendtrans-106.613.5175.2-71.2-52.7000112.6D73N52-D73 HydrophobicContact CB-CB 4.36Å; N52-D73 PolarHBondContact N-OD2 3.12Å
53G96.8Very high97.4Very high16 Ų1650.8 Ų50.817%0.16526%0.261CS..SBendtrans-155.4169.1179.500000110.3H30 I55H30-G53 WeakPolarHBondContact CA-O 3.44Å; H30-G53 WeakPolarHBondContact CB-O 3.32Å; G53-I55 PolarHBondContact O-N 3.24Å
54H97.4Very high97.5Very high101 Ų10150.5 Ų50.547%0.46826%0.261SS..  trans-54.7133.5-177.3-69.4-87.2000112.1N28 N29 G71 A72N28-H54 PolarHBondContact O-CE1 3.4Å; N28-H54 PolarHBondContact O-ND1 3.47Å; N29-H54 WeakPolarHBondContact O-CA 3.32Å; H54-G71 CarbonylContact O-C 3.59Å; H54-G71 WeakPolarHBondContact O-CA 3.46Å; H54-A72 PolarHBondContact O-N 3.38Å
55I98.4Very high97.5Very high1 Ų148.4 Ų48.41%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-79.1126.5174.1-61-177.7000108.4T12 N29 V32 H51 G53 I58T12-I55 PolarHBondContact OG1-O 3.47Å; N29-I55 PolarHBondContact O-N 3.16Å; V32-I55 HydrophobicContact CG2-CD1 3.33Å; V32-I55 HydrophobicContact CG2-CG2 4.37Å; H51-I55 HydrophobicContact CB-CD1 4.37Å; H51-I55 HydrophobicContact CB-CG1 4.11Å; G53-I55 PolarHBondContact O-N 3.24Å; I55-I58 HydrophobicContact CG2-CD1 4.24Å; I55-I58 HydrophobicContact CG2-CG1 3.79Å
56T98.3Very high97.6Very high42 Ų4248.7 Ų48.726%0.25825%0.246SC..EExtended strand (participates in β ladder)trans-110.6-18.1-173.853.90000112.5C70 A99 T100T56-C70 PolarHBondContact N-O 2.92Å; T56-C70 PolarHBondContact OG1-O 3.14Å; T56-A99 PolarHBondContact OG1-O 3.12Å; T56-T100 WeakPolarHBondContact OG1-CA 3.19Å
57G98.4Very high97.7Very high2 Ų246 Ų462%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-151.5142.5176.500000112T69 C70G57-T69 WeakPolarHBondContact O-CA 3.47Å; G57-C70 PolarHBondContact N-O 2.87Å; G57-C70 PolarHBondContact O-N 3.01Å
58I98.8Very high97.8Very high4 Ų442.7 Ų42.72%0.02122%0.218CC..EExtended strand (participates in β ladder)trans-135.6137.7173.8-57.9165.9000107A15 A24 V32 I55 I67 V68 T69A15-I58 HydrophobicContact CB-CB 4.42Å; A15-I58 HydrophobicContact CB-CG2 3.78Å; A24-I58 HydrophobicContact CB-CG2 4.18Å; V32-I58 HydrophobicContact CB-CD1 4.35Å; V32-I58 HydrophobicContact CG1-CD1 3.84Å; V32-I58 HydrophobicContact CG2-CD1 3.67Å; V32-I58 HydrophobicContact CG2-CG1 4.07Å; I55-I58 HydrophobicContact CG2-CD1 4.24Å; I55-I58 HydrophobicContact CG2-CG1 3.79Å; I58-I67 HydrophobicContact CG2-CG2 3.79Å; I58-V68 WeakPolarHBondContact CA-O 3.41Å; I58-T69 HydrophobicContact CG1-CG2 4.22Å; I58-T69 HydrophobicContact CG2-CG2 4.49Å
59D98.8Very high97.8Very high23 Ų2342.5 Ų42.512%0.12322%0.217CC..EExtended strand (participates in β ladder)trans-141.2145.3167.3-153.341.2000110.6I67 V68 K103 W104D59-I67 CarbonylContact O-C 3.53Å; D59-I67 WeakPolarHBondContact O-CA 3.4Å; D59-V68 HydrophobicContact CB-CG1 3.86Å; D59-V68 PolarHBondContact N-O 2.79Å; D59-V68 PolarHBondContact O-N 2.91Å; D59-K103 HydrophobicContact CB-CD 4.28Å; D59-K103 VanDerWaalsContact CG-CD 3.5Å; D59-K103 WeakPolarHBondContact OD1-CD 3.36Å; D59-K103 IonicContact OD1-NZ 3.8Å; D59-K103 PolarHBondContact OD1-NZ 3.24Å; D59-K103 WeakPolarHBondContact OD2-CA 3.26Å; D59-K103 WeakPolarHBondContact OD2-CD 3.18Å; D59-W104 WeakPolarHBondContact OD2-CB 3.37Å; D59-W104 PolarHBondContact OD2-N 3.27Å
60W98.6Very high97.9Very high9 Ų937 Ų373%0.03419%0.193CC..EExtended strand (participates in β ladder)trans-122115.9-173.8-159.6-28.2000109.3A15 N17 Q22 A24 I34 P62 D65 I67 W86A15-W60 HydrophobicContact CB-CB 3.77Å; N17-W60 HydrophobicContact CB-CD2 3.79Å; N17-W60 HydrophobicContact CB-CE3 4.01Å; N17-W60 HydrophobicContact CB-CG 4.46Å; N17-W60 HydrophobicContact CB-CH2 3.83Å; N17-W60 HydrophobicContact CB-CZ2 3.58Å; N17-W60 HydrophobicContact CB-CZ3 4.03Å; Q22-W60 HydrophobicContact CB-CH2 3.86Å; Q22-W60 HydrophobicContact CB-CZ3 4.14Å; A24-W60 HydrophobicContact CB-CE3 3.75Å; A24-W60 HydrophobicContact CB-CZ3 3.71Å; I34-W60 HydrophobicContact CD1-CH2 4.18Å; I34-W60 HydrophobicContact CG2-CH2 3.86Å; I34-W60 HydrophobicContact CG2-CZ3 4.1Å; W60-P62 VanDerWaalsContact O-CD 3.28Å; W60-P62 WeakPolarHBondContact O-CD 3.46Å; W60-D65 PolarHBondContact NE1-OD1 2.94Å; W60-I67 HydrophobicContact CB-CG1 4.34Å; W60-I67 HydrophobicContact CD2-CD1 3.83Å; W60-I67 HydrophobicContact CD2-CG1 3.52Å; W60-I67 HydrophobicContact CE3-CD1 3.93Å; W60-I67 HydrophobicContact CE3-CG1 4.06Å; W60-I67 HydrophobicContact CG-CD1 4.48Å; W60-I67 HydrophobicContact CG-CG1 3.67Å; W60-I67 HydrophobicContact CH2-CD1 3.98Å; W60-I67 HydrophobicContact CZ2-CD1 3.89Å; W60-I67 HydrophobicContact CZ2-CG1 4.22Å; W60-I67 HydrophobicContact CZ3-CD1 4Å; W60-W86 HydrophobicContact CH2-CZ2 4.24Å; W60-W86 AromaticContact CZ2-CH2 3.76Å; W60-W86 HydrophobicContact CZ2-CH2 3.76Å; W60-W86 AromaticContact CZ2-CZ2 3.64Å; W60-W86 HydrophobicContact CZ2-CZ2 3.64Å
61A98.2Very high97.9Very high0 Ų032.9 Ų32.90%017%0.174CC..  trans-73.8112-178.100000109.8K63 S64 D65 R66 W104 E108A61-K63 PolarHBondContact O-N 2.91Å; A61-S64 WeakPolarHBondContact CB-OG 3.21Å; A61-D65 VanDerWaalsContact O-CA 3.29Å; A61-D65 WeakPolarHBondContact O-CA 3.23Å; A61-D65 PolarHBondContact O-N 3.38Å; A61-R66 HydrophobicContact CB-CB 4.37Å; A61-R66 VanDerWaalsContact CB-O 3.3Å; A61-R66 WeakPolarHBondContact CB-O 3.5Å; A61-R66 PolarHBondContact N-O 2.9Å; A61-W104 HydrophobicContact CB-CD2 4.08Å; A61-W104 HydrophobicContact CB-CG 3.98Å; A61-E108 HydrophobicContact CB-CB 4.33Å; A61-E108 HydrophobicContact CB-CG 3.86Å; A61-E108 VanDerWaalsContact CB-OE2 3.25Å; A61-E108 WeakPolarHBondContact CB-OE2 3.2Å
62P95.9Very high97.9Very high55 Ų5534.8 Ų34.836%0.35719%0.19SC..THydrogen-bonded Turntrans-71.6-21-170.327.1-36.4000115.4R18 W60 E108R18-P62 HydrophobicContact CB-CB 4.01Å; R18-P62 VanDerWaalsContact CB-O 3.25Å; R18-P62 WeakPolarHBondContact CB-O 3.41Å; R18-P62 VanDerWaalsContact CD-O 3.26Å; R18-P62 WeakPolarHBondContact CD-O 3.39Å; R18-P62 HydrophobicContact CG-CB 4.05Å; R18-P62 WeakPolarHBondContact CG-O 3.36Å; W60-P62 VanDerWaalsContact O-CD 3.28Å; W60-P62 WeakPolarHBondContact O-CD 3.46Å; P62-E108 WeakPolarHBondContact CD-OE1 3.42Å; P62-E108 WeakPolarHBondContact CG-OE1 3.44Å; P62-E108 VanDerWaalsContact N-OE1 3.16Å
63K96.3Very high97.9Very high132 Ų13229.1 Ų29.157%0.57416%0.16SC*.THydrogen-bonded Turntrans-92.9-45.6-179.2-59.9166.1-179163.70111.7A61 P106 E108A61-K63 PolarHBondContact O-N 2.91Å; K63-P106 PolarHBondContact NZ-O 3.33Å; K63-E108 WeakPolarHBondContact CA-OE1 3.32Å; K63-E108 WeakPolarHBondContact CB-OE1 3.45Å; K63-E108 WeakPolarHBondContact CB-OE2 3.36Å; K63-E108 VanDerWaalsContact CG-OE1 3.26Å; K63-E108 WeakPolarHBondContact CG-OE1 3.35Å; K63-E108 PolarHBondContact N-OE1 3.39Å; K63-E108 PolarHBondContact N-OE2 2.77Å
64S96.6Very high98Very high49 Ų4934.6 Ų34.634%0.34318%0.176SC..THydrogen-bonded Turntrans-87.6-9.9-177.958.30000113.9A61 R66 E108A61-S64 WeakPolarHBondContact CB-OG 3.21Å; S64-R66 PolarHBondContact O-N 2.82Å; S64-R66 PolarHBondContact OG-NE 2.84Å; S64-R66 PolarHBondContact OG-NH2 2.87Å; S64-E108 VanDerWaalsContact CB-OE2 3.31Å; S64-E108 WeakPolarHBondContact CB-OE2 3.32Å; S64-E108 PolarHBondContact N-OE2 2.81Å; S64-E108 PolarHBondContact OG-OE2 3.28Å
65D97.1Very high98Very high59 Ų5932 Ų3232%0.31617%0.165SC..  trans54.634.7-177-157.332.5000113.4W60 A61 W86W60-D65 PolarHBondContact NE1-OD1 2.94Å; A61-D65 VanDerWaalsContact O-CA 3.29Å; A61-D65 WeakPolarHBondContact O-CA 3.23Å; A61-D65 PolarHBondContact O-N 3.38Å; D65-W86 VanDerWaalsContact O-CH2 3.31Å; D65-W86 WeakPolarHBondContact O-CH2 3.28Å; D65-W86 WeakPolarHBondContact O-CZ3 3.35Å
66R98.2Very high98Very high52 Ų5232 Ų3220%0.19617%0.165CC..  trans-98.9139.2175.9-67.2179.7-63.1174.94.7110.4A61 S64 V78 W79 W104 E108A61-R66 HydrophobicContact CB-CB 4.37Å; A61-R66 VanDerWaalsContact CB-O 3.3Å; A61-R66 WeakPolarHBondContact CB-O 3.5Å; A61-R66 PolarHBondContact N-O 2.9Å; S64-R66 PolarHBondContact O-N 2.82Å; S64-R66 PolarHBondContact OG-NE 2.84Å; S64-R66 PolarHBondContact OG-NH2 2.87Å; R66-V78 HydrophobicContact CB-CG1 4.31Å; R66-W79 WeakPolarHBondContact CA-O 3.18Å; R66-W104 HydrophobicContact CB-CZ2 4.23Å; R66-E108 PolarHBondContact NH2-O 3Å
67I98.7Very high98Very high0 Ų030.9 Ų30.90%016%0.156CC..EExtended strand (participates in β ladder)trans-100.2137.8171-61.4168.4000107.7A24 I34 L48 I58 D59 W60 T69 V78 W79 W86A24-I67 HydrophobicContact CB-CD1 4.31Å; I34-I67 HydrophobicContact CD1-CD1 3.59Å; I34-I67 HydrophobicContact CG1-CD1 4.49Å; L48-I67 HydrophobicContact CD2-CD1 4.32Å; I58-I67 HydrophobicContact CG2-CG2 3.79Å; D59-I67 CarbonylContact O-C 3.53Å; D59-I67 WeakPolarHBondContact O-CA 3.4Å; W60-I67 HydrophobicContact CB-CG1 4.34Å; W60-I67 HydrophobicContact CD2-CD1 3.83Å; W60-I67 HydrophobicContact CD2-CG1 3.52Å; W60-I67 HydrophobicContact CE3-CD1 3.93Å; W60-I67 HydrophobicContact CE3-CG1 4.06Å; W60-I67 HydrophobicContact CG-CD1 4.48Å; W60-I67 HydrophobicContact CG-CG1 3.67Å; W60-I67 HydrophobicContact CH2-CD1 3.98Å; W60-I67 HydrophobicContact CZ2-CD1 3.89Å; W60-I67 HydrophobicContact CZ2-CG1 4.22Å; W60-I67 HydrophobicContact CZ3-CD1 4Å; I67-T69 HydrophobicContact CG2-CG2 3.94Å; I67-V78 CarbonylContact O-C 3.6Å; I67-V78 WeakPolarHBondContact O-CA 3.38Å; I67-W79 HydrophobicContact CB-CB 4.15Å; I67-W79 PolarHBondContact N-O 2.9Å; I67-W79 VanDerWaalsContact N-O 3.09Å; I67-W79 PolarHBondContact O-N 2.9Å; I67-W86 HydrophobicContact CB-CZ3 4.32Å; I67-W86 HydrophobicContact CD1-CE3 4.28Å; I67-W86 HydrophobicContact CD1-CH2 3.58Å; I67-W86 HydrophobicContact CD1-CZ2 3.87Å; I67-W86 HydrophobicContact CD1-CZ3 3.81Å; I67-W86 HydrophobicContact CG1-CH2 3.79Å; I67-W86 HydrophobicContact CG1-CZ3 3.85Å
68V98.8Very high98Very high0 Ų030.9 Ų30.90%016%0.156CC..EExtended strand (participates in β ladder)trans-112136.4165.267.90000109I58 D59 Y77 V78 V102 W104 F111I58-V68 WeakPolarHBondContact CA-O 3.41Å; D59-V68 HydrophobicContact CB-CG1 3.86Å; D59-V68 PolarHBondContact N-O 2.79Å; D59-V68 PolarHBondContact O-N 2.91Å; V68-Y77 WeakPolarHBondContact CA-O 3.43Å; V68-V78 HydrophobicContact CG2-CG2 4.13Å; V68-V102 HydrophobicContact CB-CG2 4.35Å; V68-V102 HydrophobicContact CG1-CB 4.46Å; V68-V102 HydrophobicContact CG1-CG1 4.06Å; V68-V102 HydrophobicContact CG1-CG2 3.52Å; V68-V102 HydrophobicContact CG2-CG2 3.86Å; V68-W104 HydrophobicContact CB-CZ2 3.85Å; V68-W104 HydrophobicContact CG1-CD2 4.38Å; V68-W104 HydrophobicContact CG1-CG 4.25Å; V68-W104 HydrophobicContact CG1-CZ2 4.37Å; V68-F111 HydrophobicContact CG2-CD1 4.39Å; V68-F111 HydrophobicContact CG2-CD2 3.98Å; V68-F111 HydrophobicContact CG2-CE1 4.27Å; V68-F111 HydrophobicContact CG2-CE2 3.86Å; V68-F111 HydrophobicContact CG2-CG 4.22Å; V68-F111 HydrophobicContact CG2-CZ 3.99Å
69T98.8Very high98Very high0 Ų031 Ų310%016%0.156CC..EExtended strand (participates in β ladder)trans-125.3147.1175.962.10000109.8V32 H51 G57 I58 I67 A76 Y77 W79V32-T69 HydrophobicContact CG2-CG2 3.74Å; H51-T69 PolarHBondContact CD2-OG1 2.91Å; H51-T69 WeakPolarHBondContact NE2-CB 3.45Å; H51-T69 PolarHBondContact NE2-OG1 3.27Å; G57-T69 WeakPolarHBondContact O-CA 3.47Å; I58-T69 HydrophobicContact CG1-CG2 4.22Å; I58-T69 HydrophobicContact CG2-CG2 4.49Å; I67-T69 HydrophobicContact CG2-CG2 3.94Å; T69-A76 CarbonylContact O-C 3.59Å; T69-A76 WeakPolarHBondContact O-CA 3.41Å; T69-A76 VanDerWaalsContact O-CB 3.31Å; T69-A76 WeakPolarHBondContact O-CB 3.29Å; T69-Y77 PolarHBondContact N-O 3.44Å; T69-Y77 PolarHBondContact O-N 2.53Å; T69-W79 PolarHBondContact OG1-NE1 2.76Å
70C98.7Very high97.9Very high0 Ų032.1 Ų32.10%017%0.166CC..EExtended strand (participates in β ladder)trans-135.3151.4169.472.80000111T56 G57 N75 A76 A99 V102 V113T56-C70 PolarHBondContact N-O 2.92Å; T56-C70 PolarHBondContact OG1-O 3.14Å; G57-C70 PolarHBondContact N-O 2.87Å; G57-C70 PolarHBondContact O-N 3.01Å; C70-N75 WeakPolarHBondContact CA-O 3.32Å; C70-A76 HydrophobicContact CB-CB 4.34Å; C70-A99 HydrophobicContact CB-CB 3.67Å; C70-V102 HydrophobicContact CB-CB 4.28Å; C70-V102 HydrophobicContact CB-CG1 4.35Å; C70-V113 HydrophobicContact CB-CG1 4.08Å
71G98.1Very high97.8Very high0 Ų035.9 Ų35.90%018%0.184CC..EExtended strand (participates in β ladder)trans-144.5174.9-173.500000116.2H54 D73 R74 N75 A99H54-G71 CarbonylContact O-C 3.59Å; H54-G71 WeakPolarHBondContact O-CA 3.46Å; G71-D73 PolarHBondContact O-N 3.13Å; G71-R74 PolarHBondContact O-N 3.42Å; G71-R74 VanDerWaalsContact O-N 3.1Å; G71-N75 PolarHBondContact N-O 2.77Å; G71-A99 WeakPolarHBondContact O-CB 3.47Å; G71-A99 PolarHBondContact O-N 2.59Å; G71-A99 VanDerWaalsContact O-N 3.11Å
72A98Very high97.5Very high43 Ų4342.2 Ų42.236%0.35521%0.211SC..THydrogen-bonded Turntrans-64.8-19.5176.200000113.1H54 R74 A98H54-A72 PolarHBondContact O-N 3.38Å; A72-R74 PolarHBondContact O-N 3.31Å; A72-A98 HydrophobicContact CB-CB 4.28Å
73D97.7Very high97.3Very high23 Ų2346.6 Ų46.612%0.12323%0.232CC..THydrogen-bonded Turntrans-70.3-3172.666-5.4000114.1H51 N52 G71 N75H51-D73 WeakPolarHBondContact CA-OD2 3.25Å; H51-D73 IonicContact CE1-OD1 3.56Å; H51-D73 IonicContact CG-OD2 2.57Å; H51-D73 VanDerWaalsContact ND1-CG 3.31Å; H51-D73 IonicContact ND1-OD1 2.72Å; H51-D73 PolarHBondContact ND1-OD1 2.94Å; H51-D73 IonicContact ND1-OD2 3.98Å; H51-D73 PolarHBondContact ND1-OD2 3.02Å; N52-D73 HydrophobicContact CB-CB 4.36Å; N52-D73 PolarHBondContact N-OD2 3.12Å; G71-D73 PolarHBondContact O-N 3.13Å; D73-N75 VanDerWaalsContact C-N 3.26Å; D73-N75 PolarHBondContact OD1-N 2.92Å; D73-N75 VanDerWaalsContact OD1-N 3.11Å
74R98Very high97.1Very high132 Ų13242.1 Ų42.150%0.49822%0.223SC..SBendtrans76.78.6177.4-45.1171.1-68.9-171.51.7114G71 A72 I95 R97G71-R74 PolarHBondContact O-N 3.42Å; G71-R74 VanDerWaalsContact O-N 3.1Å; A72-R74 PolarHBondContact O-N 3.31Å; R74-I95 HydrophobicContact CB-CD1 4.39Å; R74-I95 HydrophobicContact CB-CG1 4.04Å; R74-R97 WeakPolarHBondContact CG-O 3.39Å
75N97.7Very high97.1Very high47 Ų4744.9 Ų44.925%0.25123%0.233SC..  trans-99.6160.4179.4-64.4-31.7000110.9H51 C70 G71 D73 Y77 L90H51-N75 PolarHBondContact CE1-O 3.32Å; C70-N75 WeakPolarHBondContact CA-O 3.32Å; G71-N75 PolarHBondContact N-O 2.77Å; D73-N75 VanDerWaalsContact C-N 3.26Å; D73-N75 PolarHBondContact OD1-N 2.92Å; D73-N75 VanDerWaalsContact OD1-N 3.11Å; N75-Y77 HydrophobicContact CB-CE2 4.12Å; N75-L90 HydrophobicContact CB-CD1 4.05Å
76A98.7Very high97.1Very high0 Ų043.1 Ų43.10%022%0.222CC..EExtended strand (participates in β ladder)trans-125.6148.3157.700000109.3T69 C70 V91 L93 F111T69-A76 CarbonylContact O-C 3.59Å; T69-A76 WeakPolarHBondContact O-CA 3.41Å; T69-A76 VanDerWaalsContact O-CB 3.31Å; T69-A76 WeakPolarHBondContact O-CB 3.29Å; C70-A76 HydrophobicContact CB-CB 4.34Å; A76-V91 HydrophobicContact CB-CB 4.3Å; A76-V91 PolarHBondContact O-N 2.78Å; A76-L93 HydrophobicContact CB-CD1 3.92Å; A76-L93 HydrophobicContact CB-CD2 3.88Å; A76-L93 HydrophobicContact CB-CG 4.02Å; A76-F111 HydrophobicContact CB-CE2 4.47Å
77Y98.6Very high97.1Very high18 Ų1846.2 Ų46.27%0.07124%0.236CC..EExtended strand (participates in β ladder)trans-124.4135.5173.1-66.4-77.6000109.7E50 H51 V68 T69 N75 P88 T89 L90E50-Y77 HydrophobicContact CB-CD2 4.28Å; E50-Y77 HydrophobicContact CB-CE2 4.07Å; E50-Y77 HydrophobicContact CG-CD1 4.03Å; E50-Y77 HydrophobicContact CG-CD2 4.25Å; E50-Y77 HydrophobicContact CG-CE1 3.55Å; E50-Y77 HydrophobicContact CG-CE2 3.79Å; E50-Y77 HydrophobicContact CG-CG 4.37Å; E50-Y77 VanDerWaalsContact CG-CZ 3.41Å; H51-Y77 AromaticContact CD2-CD2 3.78Å; H51-Y77 AromaticContact CE1-CD2 3.58Å; H51-Y77 AromaticContact CE1-CE2 3.91Å; H51-Y77 AromaticContact ND1-CD2 3.93Å; H51-Y77 AromaticContact ND1-CE2 3.82Å; H51-Y77 AromaticContact NE2-CD2 3.49Å; H51-Y77 WeakPolarHBondContact NE2-CD2 3.39Å; V68-Y77 WeakPolarHBondContact CA-O 3.43Å; T69-Y77 PolarHBondContact N-O 3.44Å; T69-Y77 PolarHBondContact O-N 2.53Å; N75-Y77 HydrophobicContact CB-CE2 4.12Å; Y77-P88 HydrophobicContact CD1-CB 3.85Å; Y77-P88 HydrophobicContact CG-CB 4.18Å; Y77-T89 WeakPolarHBondContact CA-O 3.39Å; Y77-L90 HydrophobicContact CD1-CB 4.16Å; Y77-L90 HydrophobicContact CD1-CD1 4.17Å; Y77-L90 HydrophobicContact CE1-CB 3.83Å; Y77-L90 HydrophobicContact CE1-CD1 3.53Å; Y77-L90 HydrophobicContact CE1-CG 4.27Å
78V98.6Very high97.1Very high2 Ų248.2 Ų48.21%0.01225%0.249CC..EExtended strand (participates in β ladder)trans-98.7117.1166176.40000107.7R66 I67 V68 P88 T89 V91 W104 F111 W132R66-V78 HydrophobicContact CB-CG1 4.31Å; I67-V78 CarbonylContact O-C 3.6Å; I67-V78 WeakPolarHBondContact O-CA 3.38Å; V68-V78 HydrophobicContact CG2-CG2 4.13Å; V78-P88 CarbonylContact O-C 3.52Å; V78-T89 PolarHBondContact N-O 3.16Å; V78-T89 PolarHBondContact O-N 3.12Å; V78-V91 HydrophobicContact CG2-CG2 3.86Å; V78-W104 HydrophobicContact CG1-CH2 4.23Å; V78-W104 HydrophobicContact CG1-CZ2 4.07Å; V78-W104 HydrophobicContact CG2-CH2 4.16Å; V78-W104 HydrophobicContact CG2-CZ2 4.17Å; V78-F111 HydrophobicContact CG2-CD1 4.5Å; V78-F111 HydrophobicContact CG2-CE1 3.64Å; V78-F111 HydrophobicContact CG2-CZ 4.03Å; V78-W132 HydrophobicContact CB-CZ2 4.21Å; V78-W132 HydrophobicContact CG1-CZ2 3.95Å; V78-W132 HydrophobicContact CG2-CD2 4.35Å; V78-W132 HydrophobicContact CG2-CH2 4.37Å; V78-W132 HydrophobicContact CG2-CZ2 3.8Å
79W98.5Very high97Very high7 Ų751.2 Ų51.23%0.02727%0.268CS..EExtended strand (participates in β ladder)trans-96.5128.8-179.6-54.581.4000109.3L48 E50 R66 I67 T69 W86 K87 P88L48-W79 HydrophobicContact CB-CD2 4.34Å; L48-W79 HydrophobicContact CB-CE3 4.12Å; L48-W79 HydrophobicContact CB-CH2 3.63Å; L48-W79 HydrophobicContact CB-CZ2 3.9Å; L48-W79 HydrophobicContact CB-CZ3 3.76Å; L48-W79 HydrophobicContact CD2-CB 4.37Å; L48-W79 HydrophobicContact CD2-CD2 3.66Å; L48-W79 HydrophobicContact CD2-CE3 3.89Å; L48-W79 HydrophobicContact CD2-CG 3.88Å; L48-W79 HydrophobicContact CD2-CZ3 4.4Å; L48-W79 HydrophobicContact CG-CD2 4.05Å; L48-W79 HydrophobicContact CG-CE3 3.77Å; L48-W79 HydrophobicContact CG-CH2 4.24Å; L48-W79 HydrophobicContact CG-CZ3 3.87Å; E50-W79 HydrophobicContact CB-CH2 3.47Å; E50-W79 VanDerWaalsContact CB-CH2 3.47Å; E50-W79 HydrophobicContact CB-CZ2 3.79Å; R66-W79 WeakPolarHBondContact CA-O 3.18Å; I67-W79 HydrophobicContact CB-CB 4.15Å; I67-W79 PolarHBondContact N-O 2.9Å; I67-W79 VanDerWaalsContact N-O 3.09Å; I67-W79 PolarHBondContact O-N 2.9Å; T69-W79 PolarHBondContact OG1-NE1 2.76Å; W79-W86 HydrophobicContact CB-CE3 3.7Å; W79-W86 HydrophobicContact CB-CZ3 4.19Å; W79-W86 HydrophobicContact CE3-CB 4.3Å; W79-K87 WeakPolarHBondContact CA-O 3.29Å; W79-P88 HydrophobicContact CD2-CB 3.95Å; W79-P88 HydrophobicContact CE3-CB 3.7Å; W79-P88 HydrophobicContact CE3-CG 4.15Å; W79-P88 HydrophobicContact CH2-CB 3.82Å; W79-P88 HydrophobicContact CH2-CG 4.02Å; W79-P88 HydrophobicContact CZ2-CB 4.04Å; W79-P88 HydrophobicContact CZ3-CB 3.64Å; W79-P88 HydrophobicContact CZ3-CG 3.7Å
80S97.1Very high96.9Very high46 Ų4655.4 Ų55.432%0.32229%0.29SS..EExtended strand (participates in β ladder)trans-125.4146.8174-56.50000109.6K87S80-K87 PolarHBondContact N-O 3.37Å; S80-K87 PolarHBondContact O-N 3.31Å
81Q94.6Very high96.9Very high88 Ų8855.4 Ų55.441%0.41129%0.29SS..EExtended strand (participates in β ladder)trans-90.8133.5178.1-159.1176.738.100110.9G84 I85 W86Q81-G84 VanDerWaalsContact NE2-C 3.34Å; Q81-G84 PolarHBondContact NE2-O 2.83Å; Q81-G84 VanDerWaalsContact NE2-O 3.08Å; Q81-I85 WeakPolarHBondContact CA-O 3.48Å; Q81-W86 HydrophobicContact CB-CD2 4.49Å; Q81-W86 HydrophobicContact CB-CE3 4.5Å
82K93Very high96.8Very high133 Ų13360.4 Ų60.458%0.57832%0.316SS*.EExtended strand (participates in β ladder)trans-135.1123167.7-174.5174.3179.6175.40108.1G84 I85K82-G84 VanDerWaalsContact C-N 3.28Å; K82-G84 PolarHBondContact O-N 3.28Å; K82-I85 PolarHBondContact N-O 3.42Å; K82-I85 PolarHBondContact O-N 3.46Å
83D92.4Very high96.8Very high148 Ų14858.5 Ų58.579%0.79130%0.299SS*.THydrogen-bonded Turntrans55.139.8-179.4-50-45000113.5I85D83-I85 PolarHBondContact O-N 3.06Å
84G91.8Very high96.8Very high38 Ų3864.1 Ų64.139%0.39232%0.319SS..THydrogen-bonded Turntrans81-6.5-178.800000115.1H46 Q81 K82H46-G84 PolarHBondContact CE1-O 2.91Å; Q81-G84 VanDerWaalsContact NE2-C 3.34Å; Q81-G84 PolarHBondContact NE2-O 2.83Å; Q81-G84 VanDerWaalsContact NE2-O 3.08Å; K82-G84 VanDerWaalsContact C-N 3.28Å; K82-G84 PolarHBondContact O-N 3.28Å
85I95.5Very high96.8Very high106 Ų10658.8 Ų58.854%0.54430%0.3SS..EExtended strand (participates in β ladder)trans-103.6129.4-176.8-57.8172.8000110.1Q81 K82 D83Q81-I85 WeakPolarHBondContact CA-O 3.48Å; K82-I85 PolarHBondContact N-O 3.42Å; K82-I85 PolarHBondContact O-N 3.46Å; D83-I85 PolarHBondContact O-N 3.06Å
86W97.9Very high96.8Very high23 Ų2361.3 Ų61.39%0.08731%0.313CS..EExtended strand (participates in β ladder)trans-77.1124.8172.2-70.694000110.5I34 H46 L48 W60 D65 I67 W79 Q81I34-W86 HydrophobicContact CD1-CD2 4.4Å; I34-W86 HydrophobicContact CD1-CZ2 4.1Å; H46-W86 AromaticContact CD2-CD1 3.89Å; H46-W86 AromaticContact CD2-NE1 3.54Å; H46-W86 AromaticContact CG-CD1 3.65Å; H46-W86 AromaticContact CG-NE1 3.79Å; H46-W86 AromaticContact ND1-CD1 3.87Å; H46-W86 AromaticContact NE2-NE1 3.87Å; L48-W86 HydrophobicContact CD1-CB 4.27Å; L48-W86 HydrophobicContact CD1-CG 4.2Å; L48-W86 HydrophobicContact CG-CB 4.23Å; L48-W86 HydrophobicContact CG-CG 4.5Å; W60-W86 HydrophobicContact CH2-CZ2 4.24Å; W60-W86 AromaticContact CZ2-CH2 3.76Å; W60-W86 HydrophobicContact CZ2-CH2 3.76Å; W60-W86 AromaticContact CZ2-CZ2 3.64Å; W60-W86 HydrophobicContact CZ2-CZ2 3.64Å; D65-W86 VanDerWaalsContact O-CH2 3.31Å; D65-W86 WeakPolarHBondContact O-CH2 3.28Å; D65-W86 WeakPolarHBondContact O-CZ3 3.35Å; I67-W86 HydrophobicContact CB-CZ3 4.32Å; I67-W86 HydrophobicContact CD1-CE3 4.28Å; I67-W86 HydrophobicContact CD1-CH2 3.58Å; I67-W86 HydrophobicContact CD1-CZ2 3.87Å; I67-W86 HydrophobicContact CD1-CZ3 3.81Å; I67-W86 HydrophobicContact CG1-CH2 3.79Å; I67-W86 HydrophobicContact CG1-CZ3 3.85Å; W79-W86 HydrophobicContact CB-CE3 3.7Å; W79-W86 HydrophobicContact CB-CZ3 4.19Å; W79-W86 HydrophobicContact CE3-CB 4.3Å; Q81-W86 HydrophobicContact CB-CD2 4.49Å; Q81-W86 HydrophobicContact CB-CE3 4.5Å
87K97.7Very high96.8Very high116 Ų11668.2 Ų68.250%0.50434%0.34SS..EExtended strand (participates in β ladder)trans-117.3128.1176.3-66.6-169.8176.6-1730110.6W79 S80W79-K87 WeakPolarHBondContact CA-O 3.29Å; S80-K87 PolarHBondContact N-O 3.37Å; S80-K87 PolarHBondContact O-N 3.31Å
88P97.9Very high96.8Very high42 Ų4269 Ų6927%0.27335%0.35SS..EExtended strand (participates in β ladder)trans-79.7145.6176.930.2-30.4000111.4E50 Y77 V78 W79E50-P88 HydrophobicContact CB-CB 4.3Å; E50-P88 HydrophobicContact CB-CG 4.13Å; E50-P88 HydrophobicContact CG-CB 4.06Å; E50-P88 HydrophobicContact CG-CG 3.8Å; Y77-P88 HydrophobicContact CD1-CB 3.85Å; Y77-P88 HydrophobicContact CG-CB 4.18Å; V78-P88 CarbonylContact O-C 3.52Å; W79-P88 HydrophobicContact CD2-CB 3.95Å; W79-P88 HydrophobicContact CE3-CB 3.7Å; W79-P88 HydrophobicContact CE3-CG 4.15Å; W79-P88 HydrophobicContact CH2-CB 3.82Å; W79-P88 HydrophobicContact CH2-CG 4.02Å; W79-P88 HydrophobicContact CZ2-CB 4.04Å; W79-P88 HydrophobicContact CZ3-CB 3.64Å; W79-P88 HydrophobicContact CZ3-CG 3.7Å
89T97.5Very high96.8Very high64 Ų6469 Ų6939%0.39335%0.35SS..EExtended strand (participates in β ladder)trans-119.6121.3164.5-57.60000108Y77 V78Y77-T89 WeakPolarHBondContact CA-O 3.39Å; V78-T89 PolarHBondContact N-O 3.16Å; V78-T89 PolarHBondContact O-N 3.12Å
90L97.7Very high96.8Very high88 Ų8870.1 Ų70.146%0.46136%0.358SS..EExtended strand (participates in β ladder)trans-66.3134.1179.7178.565.3000110.9N75 Y77N75-L90 HydrophobicContact CB-CD1 4.05Å; Y77-L90 HydrophobicContact CD1-CB 4.16Å; Y77-L90 HydrophobicContact CD1-CD1 4.17Å; Y77-L90 HydrophobicContact CE1-CB 3.83Å; Y77-L90 HydrophobicContact CE1-CD1 3.53Å; Y77-L90 HydrophobicContact CE1-CG 4.27Å
91V98.2Very high96.9Very high0 Ų070.1 Ų70.10%035%0.352CS..EExtended strand (participates in β ladder)trans-114.4117.8171-176.50000110.1A76 V78 L93 F111 C123 W132A76-V91 HydrophobicContact CB-CB 4.3Å; A76-V91 PolarHBondContact O-N 2.78Å; V78-V91 HydrophobicContact CG2-CG2 3.86Å; V91-L93 HydrophobicContact CG1-CD2 4.28Å; V91-L93 PolarHBondContact O-N 3.13Å; V91-L93 VanDerWaalsContact O-N 3.08Å; V91-F111 HydrophobicContact CB-CZ 4.16Å; V91-F111 HydrophobicContact CG1-CZ 3.87Å; V91-F111 HydrophobicContact CG2-CE1 4.48Å; V91-F111 HydrophobicContact CG2-CZ 3.94Å; V91-C123 HydrophobicContact CG1-CB 4.16Å; V91-W132 HydrophobicContact CB-CB 4.14Å; V91-W132 HydrophobicContact CB-CG 4.45Å; V91-W132 HydrophobicContact CG1-CB 3.67Å; V91-W132 HydrophobicContact CG1-CG 4.31Å; V91-W132 HydrophobicContact CG2-CB 3.68Å; V91-W132 HydrophobicContact CG2-CD2 4.03Å; V91-W132 HydrophobicContact CG2-CG 3.49Å; V91-W132 VanDerWaalsContact CG2-CG 3.49Å
92I96.7Very high97.1Very high105 Ų10566 Ų6654%0.53833%0.333SS..  trans-78.697.5-179.7-55.8178.9000109.3R94I92-R94 HydrophobicContact CG2-CG 3.88Å; I92-R94 PolarHBondContact O-N 3.37Å
93L98Very high97.3Very high2 Ų261.5 Ų61.51%0.0131%0.313CS..  trans-69.8-20.2180-61.3-178.7000113.7A76 V91 I95 A99 V113 S121 S134 H136A76-L93 HydrophobicContact CB-CD1 3.92Å; A76-L93 HydrophobicContact CB-CD2 3.88Å; A76-L93 HydrophobicContact CB-CG 4.02Å; V91-L93 HydrophobicContact CG1-CD2 4.28Å; V91-L93 PolarHBondContact O-N 3.13Å; V91-L93 VanDerWaalsContact O-N 3.08Å; L93-I95 VanDerWaalsContact C-N 3.32Å; L93-I95 HydrophobicContact CB-CD1 4.06Å; L93-I95 HydrophobicContact CB-CG1 3.94Å; L93-I95 HydrophobicContact CB-CG2 4.21Å; L93-I95 HydrophobicContact CD1-CD1 3.68Å; L93-I95 HydrophobicContact CD1-CG1 4.4Å; L93-I95 PolarHBondContact O-N 3.28Å; L93-A99 HydrophobicContact CD1-CB 4.17Å; L93-V113 HydrophobicContact CD1-CB 4.39Å; L93-V113 HydrophobicContact CD1-CG1 3.84Å; L93-V113 HydrophobicContact CD1-CG2 4.46Å; L93-V113 HydrophobicContact CD2-CB 4.23Å; L93-V113 HydrophobicContact CD2-CG2 3.85Å; L93-S121 PolarHBondContact O-OG 2.85Å; L93-S134 PolarHBondContact O-OG 3.22Å; L93-H136 PolarHBondContact O-NE2 2.81Å
94R97.8Very high97.6Very high141 Ų14155 Ų5553%0.53228%0.278SS..  trans57.940.4-174.6-53.5-179.7-63.9111.95.7112.8I92 S134 H136I92-R94 HydrophobicContact CG2-CG 3.88Å; I92-R94 PolarHBondContact O-N 3.37Å; R94-S134 PolarHBondContact NH2-O 3.44Å; R94-H136 PolarHBondContact O-CE1 3.43Å
95I98Very high98Very high21 Ų2153.4 Ų53.411%0.10826%0.26CS..  trans-111.7152.2177.364.6-178.4000111.5R74 L93 R97 A99 A117 L119R74-I95 HydrophobicContact CB-CD1 4.39Å; R74-I95 HydrophobicContact CB-CG1 4.04Å; L93-I95 VanDerWaalsContact C-N 3.32Å; L93-I95 HydrophobicContact CB-CD1 4.06Å; L93-I95 HydrophobicContact CB-CG1 3.94Å; L93-I95 HydrophobicContact CB-CG2 4.21Å; L93-I95 HydrophobicContact CD1-CD1 3.68Å; L93-I95 HydrophobicContact CD1-CG1 4.4Å; L93-I95 PolarHBondContact O-N 3.28Å; I95-R97 VanDerWaalsContact CD1-O 3.31Å; I95-R97 WeakPolarHBondContact CD1-O 3.48Å; I95-R97 WeakPolarHBondContact CG1-O 3.48Å; I95-A99 HydrophobicContact CD1-CB 4.04Å; I95-A117 HydrophobicContact CB-CB 4.14Å; I95-A117 HydrophobicContact CG2-CB 4.36Å; I95-L119 HydrophobicContact CG2-CD1 3.71Å; I95-L119 HydrophobicContact CG2-CD2 4.45Å; I95-L119 HydrophobicContact CG2-CG 4.34Å
96N97.5Very high98.1Very high99 Ų9950.8 Ų50.853%0.52925%0.25SS..SBendtrans-11312.6-178.368.3-11000113.5
97R98.2Very high98.1Very high145 Ų14554.7 Ų54.755%0.54727%0.272SS..SBendtrans-143.1163.4178-65.8-65.8-176.1-89.73.8108.7R74 I95 A117R74-R97 WeakPolarHBondContact CG-O 3.39Å; I95-R97 VanDerWaalsContact CD1-O 3.31Å; I95-R97 WeakPolarHBondContact CD1-O 3.48Å; I95-R97 WeakPolarHBondContact CG1-O 3.48Å; R97-A117 HydrophobicContact CB-CB 4.12Å; R97-A117 HydrophobicContact CG-CB 4.42Å
98A98.2Very high98.1Very high36 Ų3649.8 Ų49.830%0.29825%0.251SS..  trans-49139.1-179.300000112.8A72 S115 G116A72-A98 HydrophobicContact CB-CB 4.28Å; A98-S115 WeakPolarHBondContact O-CA 3.24Å; A98-G116 PolarHBondContact O-N 2.9Å
99A98.7Very high98.1Very high0 Ų049.4 Ų49.40%025%0.247CC..EExtended strand (participates in β ladder)trans-75.1145.3161.200000108.7T56 C70 G71 L93 I95 V113T56-A99 PolarHBondContact OG1-O 3.12Å; C70-A99 HydrophobicContact CB-CB 3.67Å; G71-A99 WeakPolarHBondContact O-CB 3.47Å; G71-A99 PolarHBondContact O-N 2.59Å; G71-A99 VanDerWaalsContact O-N 3.11Å; L93-A99 HydrophobicContact CD1-CB 4.17Å; I95-A99 HydrophobicContact CD1-CB 4.04Å; A99-V113 HydrophobicContact CB-CG1 3.72Å
100T98.5Very high98.1Very high32 Ų3246.4 Ų46.420%0.19623%0.228CC..EExtended strand (participates in β ladder)trans-126.5-23.4-16845.60000113.7T56 G114 S115 T144 V145T56-T100 WeakPolarHBondContact OG1-CA 3.19Å; T100-G114 PolarHBondContact N-O 2.76Å; T100-G114 PolarHBondContact OG1-O 3.23Å; T100-G114 VanDerWaalsContact OG1-O 3.12Å; T100-S115 WeakPolarHBondContact OG1-CA 3.46Å; T100-S115 PolarHBondContact OG1-N 3.3Å; T100-T144 HydrophobicContact CG2-CG2 3.76Å; T100-V145 WeakPolarHBondContact CB-O 3.44Å; T100-V145 PolarHBondContact OG1-O 3.29Å
101F98.5Very high98.2Very high46 Ų4642.2 Ų42.220%0.20221%0.206CC..EExtended strand (participates in β ladder)trans-161148.4-179.3-157.2-97.8000110.2K103 V113 G114 L146 L148F101-K103 HydrophobicContact CD1-CG 4.2Å; F101-K103 HydrophobicContact CE1-CD 4.22Å; F101-K103 HydrophobicContact CE1-CG 3.6Å; F101-V113 CarbonylContact O-C 3.53Å; F101-V113 VanDerWaalsContact O-CA 3.3Å; F101-V113 WeakPolarHBondContact O-CA 3.44Å; F101-G114 PolarHBondContact O-N 2.92Å; F101-L146 WeakPolarHBondContact CD2-O 3.29Å; F101-L148 HydrophobicContact CD1-CB 3.9Å; F101-L148 HydrophobicContact CD1-CG 4.28Å; F101-L148 HydrophobicContact CE1-CB 4.25Å; F101-L148 WeakPolarHBondContact CE1-O 3.19Å
102V98.8Very high98.2Very high1 Ų142.2 Ų42.21%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-141142.7176.262.90000111.8V68 C70 F111 A112 V113V68-V102 HydrophobicContact CB-CG2 4.35Å; V68-V102 HydrophobicContact CG1-CB 4.46Å; V68-V102 HydrophobicContact CG1-CG1 4.06Å; V68-V102 HydrophobicContact CG1-CG2 3.52Å; V68-V102 HydrophobicContact CG2-CG2 3.86Å; C70-V102 HydrophobicContact CB-CB 4.28Å; C70-V102 HydrophobicContact CB-CG1 4.35Å; V102-F111 HydrophobicContact CG2-CD2 3.87Å; V102-A112 VanDerWaalsContact CA-O 3.29Å; V102-A112 WeakPolarHBondContact CA-O 3.48Å; V102-V113 HydrophobicContact CB-CG2 4.21Å; V102-V113 HydrophobicContact CG2-CG2 3.77Å
103K98.8Very high98.3Very high38 Ų3837.2 Ų37.217%0.16518%0.181CC..EExtended strand (participates in β ladder)trans-143.4132.1170.6-72.8-64.6173.8-175.20113.2D59 F101 F111 A112 W150D59-K103 HydrophobicContact CB-CD 4.28Å; D59-K103 VanDerWaalsContact CG-CD 3.5Å; D59-K103 WeakPolarHBondContact OD1-CD 3.36Å; D59-K103 IonicContact OD1-NZ 3.8Å; D59-K103 PolarHBondContact OD1-NZ 3.24Å; D59-K103 WeakPolarHBondContact OD2-CA 3.26Å; D59-K103 WeakPolarHBondContact OD2-CD 3.18Å; F101-K103 HydrophobicContact CD1-CG 4.2Å; F101-K103 HydrophobicContact CE1-CD 4.22Å; F101-K103 HydrophobicContact CE1-CG 3.6Å; K103-F111 CarbonylContact O-C 3.56Å; K103-F111 VanDerWaalsContact O-CA 3.23Å; K103-F111 WeakPolarHBondContact O-CA 3.26Å; K103-F111 WeakPolarHBondContact O-CB 3.28Å; K103-A112 PolarHBondContact N-O 2.86Å; K103-A112 PolarHBondContact O-N 3.45Å; K103-W150 PolarHBondContact O-NE1 3.43Å
104W98.8Very high98.4Very high13 Ų1337.1 Ų37.15%0.04918%0.18CC..EExtended strand (participates in β ladder)trans-63.8145.3163.7-77.1109.6000110.5D59 A61 R66 V68 V78 K110 F111 W132 W150D59-W104 WeakPolarHBondContact OD2-CB 3.37Å; D59-W104 PolarHBondContact OD2-N 3.27Å; A61-W104 HydrophobicContact CB-CD2 4.08Å; A61-W104 HydrophobicContact CB-CG 3.98Å; R66-W104 HydrophobicContact CB-CZ2 4.23Å; V68-W104 HydrophobicContact CB-CZ2 3.85Å; V68-W104 HydrophobicContact CG1-CD2 4.38Å; V68-W104 HydrophobicContact CG1-CG 4.25Å; V68-W104 HydrophobicContact CG1-CZ2 4.37Å; V78-W104 HydrophobicContact CG1-CH2 4.23Å; V78-W104 HydrophobicContact CG1-CZ2 4.07Å; V78-W104 HydrophobicContact CG2-CH2 4.16Å; V78-W104 HydrophobicContact CG2-CZ2 4.17Å; W104-K110 VanDerWaalsContact CE3-O 3.31Å; W104-F111 HydrophobicContact CD2-CB 4.08Å; W104-F111 HydrophobicContact CE3-CB 3.84Å; W104-F111 HydrophobicContact CE3-CD1 4.08Å; W104-F111 HydrophobicContact CE3-CG 4.44Å; W104-F111 AromaticContact CH2-CD1 3.67Å; W104-F111 HydrophobicContact CH2-CD1 3.67Å; W104-F111 HydrophobicContact CH2-CE1 4.17Å; W104-F111 HydrophobicContact CZ2-CD1 4.25Å; W104-F111 HydrophobicContact CZ3-CB 4.24Å; W104-F111 AromaticContact CZ3-CD1 3.59Å; W104-F111 HydrophobicContact CZ3-CD1 3.59Å; W104-F111 HydrophobicContact CZ3-CE1 4.45Å; W104-F111 HydrophobicContact CZ3-CG 4.38Å; W104-W132 AromaticContact CH2-CH2 3.5Å; W104-W132 HydrophobicContact CH2-CH2 3.5Å; W104-W132 VanDerWaalsContact CH2-CH2 3.5Å; W104-W132 HydrophobicContact CH2-CZ2 4.05Å; W104-W132 HydrophobicContact CH2-CZ3 4.28Å; W104-W132 AromaticContact CZ3-CH2 3.78Å; W104-W132 HydrophobicContact CZ3-CH2 3.78Å; W104-W132 HydrophobicContact CZ3-CZ3 4.3Å; W104-W150 PolarHBondContact O-NE1 3.13Å
105S98.6Very high98.4Very high3 Ų330.4 Ų30.42%0.02116%0.155CC..  trans-75155.9168.874.90000110.7L107 E108 N109 K110 N154S105-L107 PolarHBondContact O-N 2.78Å; S105-L107 VanDerWaalsContact O-N 3.12Å; S105-E108 WeakPolarHBondContact O-CA 3.5Å; S105-E108 PolarHBondContact O-N 3.43Å; S105-N109 PolarHBondContact OG-OD1 3.22Å; S105-K110 WeakPolarHBondContact CB-O 3.32Å; S105-K110 PolarHBondContact N-O 3.38Å; S105-K110 WeakPolarHBondContact OG-CG 3.48Å; S105-K110 PolarHBondContact OG-N 2.95Å; S105-K110 PolarHBondContact OG-O 3.36Å; S105-N154 WeakPolarHBondContact CB-OD1 3.48Å; S105-N154 PolarHBondContact OG-OD1 3.42Å
106P97.8Very high98.4Very high51 Ų5130.3 Ų30.333%0.33116%0.159SC..THydrogen-bonded Turntrans-54.6-29.1-178.9-30.334.4000116.4K63 W150 N154K63-P106 PolarHBondContact NZ-O 3.33Å; P106-W150 HydrophobicContact CG-CB 4.2Å; P106-N154 WeakPolarHBondContact CD-OD1 3.44Å
107L97.8Very high98.5Very high106 Ų10626.5 Ų26.556%0.55514%0.141SC*.THydrogen-bonded Turntrans-90.2-4.8175.8-59.2-178.4000113.4S105 N109 N154S105-L107 PolarHBondContact O-N 2.78Å; S105-L107 VanDerWaalsContact O-N 3.12Å; L107-N109 PolarHBondContact O-N 3.19Å; L107-N109 VanDerWaalsContact O-N 3.09Å; L107-N154 HydrophobicContact CB-CB 4.49Å; L107-N154 WeakPolarHBondContact CB-OD1 3.23Å; L107-N154 HydrophobicContact CD1-CB 3.86Å; L107-N154 HydrophobicContact CG-CB 3.86Å; L107-N154 PolarHBondContact N-OD1 3.22Å
108E98.3Very high98.5Very high12 Ų1226.9 Ų26.96%0.05614%0.143CC..SBendtrans59.817.4178.1-54.5173.4-153.500114.6A61 P62 K63 S64 R66 S105A61-E108 HydrophobicContact CB-CB 4.33Å; A61-E108 HydrophobicContact CB-CG 3.86Å; A61-E108 VanDerWaalsContact CB-OE2 3.25Å; A61-E108 WeakPolarHBondContact CB-OE2 3.2Å; P62-E108 WeakPolarHBondContact CD-OE1 3.42Å; P62-E108 WeakPolarHBondContact CG-OE1 3.44Å; P62-E108 VanDerWaalsContact N-OE1 3.16Å; K63-E108 WeakPolarHBondContact CA-OE1 3.32Å; K63-E108 WeakPolarHBondContact CB-OE1 3.45Å; K63-E108 WeakPolarHBondContact CB-OE2 3.36Å; K63-E108 VanDerWaalsContact CG-OE1 3.26Å; K63-E108 WeakPolarHBondContact CG-OE1 3.35Å; K63-E108 PolarHBondContact N-OE1 3.39Å; K63-E108 PolarHBondContact N-OE2 2.77Å; S64-E108 VanDerWaalsContact CB-OE2 3.31Å; S64-E108 WeakPolarHBondContact CB-OE2 3.32Å; S64-E108 PolarHBondContact N-OE2 2.81Å; S64-E108 PolarHBondContact OG-OE2 3.28Å; R66-E108 PolarHBondContact NH2-O 3Å; S105-E108 WeakPolarHBondContact O-CA 3.5Å; S105-E108 PolarHBondContact O-N 3.43Å
109N97.6Very high98.5Very high35 Ų3525.8 Ų25.819%0.18713%0.132CC..SBendtrans-85.2-15.2174.762.8-24.7000112.6S105 L107 N154 V176 D177S105-N109 PolarHBondContact OG-OD1 3.22Å; L107-N109 PolarHBondContact O-N 3.19Å; L107-N109 VanDerWaalsContact O-N 3.09Å; N109-N154 PolarHBondContact ND2-ND2 3.3Å; N109-N154 PolarHBondContact OD1-ND2 2.8Å; N109-V176 HydrophobicContact CB-CB 4.4Å; N109-V176 PolarHBondContact ND2-O 2.87Å; N109-D177 PolarHBondContact ND2-OD1 3.35Å
110K98.4Very high98.5Very high0 Ų025.8 Ų25.80%013%0.132CC..EExtended strand (participates in β ladder)trans-153.9168177.361.3-173.5-179-176.80111.8W104 S105 V122 C123 W150 N154 A171 I173 D177W104-K110 VanDerWaalsContact CE3-O 3.31Å; S105-K110 WeakPolarHBondContact CB-O 3.32Å; S105-K110 PolarHBondContact N-O 3.38Å; S105-K110 WeakPolarHBondContact OG-CG 3.48Å; S105-K110 PolarHBondContact OG-N 2.95Å; S105-K110 PolarHBondContact OG-O 3.36Å; K110-V122 HydrophobicContact CD-CG1 4.13Å; K110-C123 CarbonylContact C-O 3.59Å; K110-C123 WeakPolarHBondContact CA-O 3.48Å; K110-C123 WeakPolarHBondContact CB-O 3.37Å; K110-W150 HydrophobicContact CD-CH2 3.92Å; K110-W150 HydrophobicContact CD-CZ3 4.47Å; K110-W150 VanDerWaalsContact CE-CZ3 3.47Å; K110-W150 HydrophobicContact CG-CH2 4.14Å; K110-W150 HydrophobicContact CG-CZ2 4.35Å; K110-N154 WeakPolarHBondContact CE-O 3.37Å; K110-N154 PolarHBondContact NZ-O 3.29Å; K110-A171 PolarHBondContact NZ-O 2.92Å; K110-I173 HydrophobicContact CD-CG1 4.04Å; K110-D177 IonicContact NZ-OD1 3Å; K110-D177 PolarHBondContact NZ-OD1 2.71Å; K110-D177 IonicContact NZ-OD2 3.79Å; K110-D177 PolarHBondContact NZ-OD2 2.84Å
111F98.8Very high98.5Very high0 Ų024.3 Ų24.30%012%0.123CC..EExtended strand (participates in β ladder)trans-141.5156.5171.561.7-92.8000110.8V68 A76 V78 V91 V102 K103 W104 V113 V122 C123 W132V68-F111 HydrophobicContact CG2-CD1 4.39Å; V68-F111 HydrophobicContact CG2-CD2 3.98Å; V68-F111 HydrophobicContact CG2-CE1 4.27Å; V68-F111 HydrophobicContact CG2-CE2 3.86Å; V68-F111 HydrophobicContact CG2-CG 4.22Å; V68-F111 HydrophobicContact CG2-CZ 3.99Å; A76-F111 HydrophobicContact CB-CE2 4.47Å; V78-F111 HydrophobicContact CG2-CD1 4.5Å; V78-F111 HydrophobicContact CG2-CE1 3.64Å; V78-F111 HydrophobicContact CG2-CZ 4.03Å; V91-F111 HydrophobicContact CB-CZ 4.16Å; V91-F111 HydrophobicContact CG1-CZ 3.87Å; V91-F111 HydrophobicContact CG2-CE1 4.48Å; V91-F111 HydrophobicContact CG2-CZ 3.94Å; V102-F111 HydrophobicContact CG2-CD2 3.87Å; K103-F111 CarbonylContact O-C 3.56Å; K103-F111 VanDerWaalsContact O-CA 3.23Å; K103-F111 WeakPolarHBondContact O-CA 3.26Å; K103-F111 WeakPolarHBondContact O-CB 3.28Å; W104-F111 HydrophobicContact CD2-CB 4.08Å; W104-F111 HydrophobicContact CE3-CB 3.84Å; W104-F111 HydrophobicContact CE3-CD1 4.08Å; W104-F111 HydrophobicContact CE3-CG 4.44Å; W104-F111 AromaticContact CH2-CD1 3.67Å; W104-F111 HydrophobicContact CH2-CD1 3.67Å; W104-F111 HydrophobicContact CH2-CE1 4.17Å; W104-F111 HydrophobicContact CZ2-CD1 4.25Å; W104-F111 HydrophobicContact CZ3-CB 4.24Å; W104-F111 AromaticContact CZ3-CD1 3.59Å; W104-F111 HydrophobicContact CZ3-CD1 3.59Å; W104-F111 HydrophobicContact CZ3-CE1 4.45Å; W104-F111 HydrophobicContact CZ3-CG 4.38Å; F111-V113 HydrophobicContact CD2-CG2 3.74Å; F111-V113 HydrophobicContact CE2-CG2 3.68Å; F111-V122 CarbonylContact O-C 3.36Å; F111-V122 WeakPolarHBondContact O-CA 3.48Å; F111-C123 HydrophobicContact CD1-CB 4.11Å; F111-C123 HydrophobicContact CD2-CB 3.98Å; F111-C123 HydrophobicContact CE1-CB 3.7Å; F111-C123 HydrophobicContact CE2-CB 3.53Å; F111-C123 HydrophobicContact CG-CB 4.27Å; F111-C123 HydrophobicContact CZ-CB 3.4Å; F111-C123 VanDerWaalsContact CZ-CB 3.4Å; F111-C123 PolarHBondContact N-O 2.87Å; F111-C123 PolarHBondContact O-N 3.09Å; F111-W132 HydrophobicContact CD1-CE3 4.27Å; F111-W132 HydrophobicContact CD1-CH2 4.23Å; F111-W132 AromaticContact CD1-CZ3 3.75Å; F111-W132 HydrophobicContact CD1-CZ3 3.75Å; F111-W132 HydrophobicContact CE1-CD2 4.13Å; F111-W132 AromaticContact CE1-CE3 3.52Å; F111-W132 HydrophobicContact CE1-CE3 3.52Å; F111-W132 AromaticContact CE1-CH2 3.98Å; F111-W132 HydrophobicContact CE1-CH2 3.98Å; F111-W132 AromaticContact CE1-CZ3 3.42Å; F111-W132 HydrophobicContact CE1-CZ3 3.42Å; F111-W132 VanDerWaalsContact CE1-CZ3 3.42Å; F111-W132 HydrophobicContact CZ-CE3 4.35Å
112A98.9Very high98.5Very high0 Ų022.1 Ų22.10%011%0.113CC..EExtended strand (participates in β ladder)trans-114.5137.2178.100000110.5V102 K103 I120 S121 L148 W150 L157V102-A112 VanDerWaalsContact CA-O 3.29Å; V102-A112 WeakPolarHBondContact CA-O 3.48Å; K103-A112 PolarHBondContact N-O 2.86Å; K103-A112 PolarHBondContact O-N 3.45Å; A112-I120 HydrophobicContact CB-CG2 3.97Å; A112-S121 CarbonylContact C-O 3.57Å; A112-S121 WeakPolarHBondContact CA-O 3.18Å; A112-L148 HydrophobicContact CB-CD1 3.84Å; A112-L148 WeakPolarHBondContact O-CD1 3.34Å; A112-W150 HydrophobicContact CB-CH2 4.46Å; A112-W150 HydrophobicContact CB-CZ2 3.55Å; A112-L157 HydrophobicContact CB-CD1 4.12Å; A112-L157 HydrophobicContact CB-CD2 3.56Å
113V98.9Very high98.5Very high1 Ų122 Ų221%0.00611%0.113CC..EExtended strand (participates in β ladder)trans-120.6119.2177.5-175.80000110.2C70 L93 A99 F101 V102 F111 I120 S121C70-V113 HydrophobicContact CB-CG1 4.08Å; L93-V113 HydrophobicContact CD1-CB 4.39Å; L93-V113 HydrophobicContact CD1-CG1 3.84Å; L93-V113 HydrophobicContact CD1-CG2 4.46Å; L93-V113 HydrophobicContact CD2-CB 4.23Å; L93-V113 HydrophobicContact CD2-CG2 3.85Å; A99-V113 HydrophobicContact CB-CG1 3.72Å; F101-V113 CarbonylContact O-C 3.53Å; F101-V113 VanDerWaalsContact O-CA 3.3Å; F101-V113 WeakPolarHBondContact O-CA 3.44Å; V102-V113 HydrophobicContact CB-CG2 4.21Å; V102-V113 HydrophobicContact CG2-CG2 3.77Å; F111-V113 HydrophobicContact CD2-CG2 3.74Å; F111-V113 HydrophobicContact CE2-CG2 3.68Å; V113-I120 CarbonylContact O-C 3.58Å; V113-I120 VanDerWaalsContact O-CA 3.31Å; V113-I120 WeakPolarHBondContact O-CA 3.33Å; V113-S121 PolarHBondContact N-O 2.81Å; V113-S121 PolarHBondContact O-N 2.85Å
114G98.8Very high98.5Very high0 Ų020.4 Ų20.40%011%0.106CC..EExtended strand (participates in β ladder)trans-78.1150.1169.300000110.6T100 F101T100-G114 PolarHBondContact N-O 2.76Å; T100-G114 PolarHBondContact OG1-O 3.23Å; T100-G114 VanDerWaalsContact OG1-O 3.12Å; F101-G114 PolarHBondContact O-N 2.92Å
115S98.7Very high98.4Very high0 Ų022.6 Ų22.60%012%0.116CC..EExtended strand (participates in β ladder)trans-147.4159.5-178.368.90000113.8A98 T100 A117 R118 L119 V145A98-S115 WeakPolarHBondContact O-CA 3.24Å; T100-S115 WeakPolarHBondContact OG1-CA 3.46Å; T100-S115 PolarHBondContact OG1-N 3.3Å; S115-A117 PolarHBondContact O-N 2.9Å; S115-A117 WeakPolarHBondContact OG-CB 3.24Å; S115-A117 PolarHBondContact OG-N 2.86Å; S115-R118 PolarHBondContact O-N 2.92Å; S115-L119 PolarHBondContact N-O 3.42Å; S115-L119 PolarHBondContact OG-O 3.31Å; S115-V145 PolarHBondContact O-N 3.31Å
116G98.5Very high98.2Very high18 Ų1824.8 Ų24.819%0.18613%0.125CC..THydrogen-bonded Turntrans-68.2-6.1165.400000113.7A98 R118A98-G116 PolarHBondContact O-N 2.9Å; G116-R118 PolarHBondContact O-N 3.21Å
117A98.3Very high98Very high20 Ų2027.2 Ų27.217%0.16514%0.144CC..THydrogen-bonded Turntrans-8110.317400000112.3I95 R97 S115 L119I95-A117 HydrophobicContact CB-CB 4.14Å; I95-A117 HydrophobicContact CG2-CB 4.36Å; R97-A117 HydrophobicContact CB-CB 4.12Å; R97-A117 HydrophobicContact CG-CB 4.42Å; S115-A117 PolarHBondContact O-N 2.9Å; S115-A117 WeakPolarHBondContact OG-CB 3.24Å; S115-A117 PolarHBondContact OG-N 2.86Å; A117-L119 VanDerWaalsContact C-N 3.26Å; A117-L119 HydrophobicContact CB-CD2 4.21Å; A117-L119 HydrophobicContact CB-CG 4.16Å; A117-L119 PolarHBondContact O-N 2.85Å
118R98.5Very high97.7Very high152 Ų15231.1 Ų31.157%0.57416%0.159SC*.SBendtrans6136.2176.6-45.6171.7-178.4158.4-0.5112.2S115 G116 I141 R142 S143S115-R118 PolarHBondContact O-N 2.92Å; G116-R118 PolarHBondContact O-N 3.21Å; R118-I141 HydrophobicContact CB-CG2 4.3Å; R118-I141 WeakPolarHBondContact O-CB 3.47Å; R118-I141 WeakPolarHBondContact O-CG2 3.36Å; R118-R142 WeakPolarHBondContact CD-O 3.49Å; R118-S143 WeakPolarHBondContact CA-O 3.31Å
119L98.6Very high97.4Very high14 Ų1435.1 Ų35.17%0.07318%0.181CC..SBendtrans-149.5161-179.168.880.3000110.6I95 S115 A117 S121 I137 K138I95-L119 HydrophobicContact CG2-CD1 3.71Å; I95-L119 HydrophobicContact CG2-CD2 4.45Å; I95-L119 HydrophobicContact CG2-CG 4.34Å; S115-L119 PolarHBondContact N-O 3.42Å; S115-L119 PolarHBondContact OG-O 3.31Å; A117-L119 VanDerWaalsContact C-N 3.26Å; A117-L119 HydrophobicContact CB-CD2 4.21Å; A117-L119 HydrophobicContact CB-CG 4.16Å; A117-L119 PolarHBondContact O-N 2.85Å; L119-S121 WeakPolarHBondContact CD1-OG 3.49Å; L119-I137 WeakPolarHBondContact CA-O 3.23Å; L119-I137 WeakPolarHBondContact CB-O 3.27Å; L119-K138 HydrophobicContact CB-CG 3.91Å; L119-K138 HydrophobicContact CD2-CG 4.29Å
120I98.9Very high97.2Very high0 Ų039.6 Ų39.60%021%0.205CC..EExtended strand (participates in β ladder)trans-109.7128.2171.2-56.3165.7000108.1A112 V113 V122 H136 I137 I141 V145 L148 L157 A159 F169A112-I120 HydrophobicContact CB-CG2 3.97Å; V113-I120 CarbonylContact O-C 3.58Å; V113-I120 VanDerWaalsContact O-CA 3.31Å; V113-I120 WeakPolarHBondContact O-CA 3.33Å; I120-V122 HydrophobicContact CG2-CG2 4.38Å; I120-H136 CarbonylContact O-C 3.58Å; I120-H136 WeakPolarHBondContact O-CA 3.42Å; I120-I137 HydrophobicContact CB-CB 4.27Å; I120-I137 PolarHBondContact N-O 3.17Å; I120-I137 PolarHBondContact O-N 3Å; I120-I141 HydrophobicContact CD1-CD1 3.84Å; I120-I141 HydrophobicContact CG1-CD1 3.85Å; I120-V145 HydrophobicContact CG1-CG1 4.32Å; I120-V145 HydrophobicContact CG1-CG2 4.04Å; I120-L148 HydrophobicContact CD1-CD2 3.8Å; I120-L148 HydrophobicContact CG1-CD2 4.16Å; I120-L148 HydrophobicContact CG2-CD1 4.33Å; I120-L148 HydrophobicContact CG2-CD2 4.36Å; I120-L157 HydrophobicContact CD1-CD2 4.36Å; I120-L157 HydrophobicContact CG2-CD2 3.87Å; I120-A159 HydrophobicContact CD1-CB 3.65Å; I120-F169 HydrophobicContact CD1-CD2 4.17Å; I120-F169 HydrophobicContact CD1-CE2 4.29Å
121S98.8Very high96.9Very high0 Ų045.4 Ų45.40%023%0.227CC..EExtended strand (participates in β ladder)trans-95.3113172.2-64.60000109.8L93 A112 V113 L119 S134 H136L93-S121 PolarHBondContact O-OG 2.85Å; A112-S121 CarbonylContact C-O 3.57Å; A112-S121 WeakPolarHBondContact CA-O 3.18Å; V113-S121 PolarHBondContact N-O 2.81Å; V113-S121 PolarHBondContact O-N 2.85Å; L119-S121 WeakPolarHBondContact CD1-OG 3.49Å; S121-S134 WeakPolarHBondContact CB-OG 3.46Å; S121-H136 PolarHBondContact OG-CD2 2.85Å; S121-H136 PolarHBondContact OG-NE2 3.02Å
122V98.8Very high96.9Very high0 Ų046.1 Ų46.10%023%0.229CC..EExtended strand (participates in β ladder)trans-95111.6174-176.40000107.6K110 F111 I120 S134 K135 I137 W150 A171 I173 F191K110-V122 HydrophobicContact CD-CG1 4.13Å; F111-V122 CarbonylContact O-C 3.36Å; F111-V122 WeakPolarHBondContact O-CA 3.48Å; I120-V122 HydrophobicContact CG2-CG2 4.38Å; V122-S134 WeakPolarHBondContact O-CA 3.4Å; V122-K135 PolarHBondContact N-O 3Å; V122-K135 PolarHBondContact O-N 3.05Å; V122-I137 HydrophobicContact CG2-CD1 3.94Å; V122-I137 HydrophobicContact CG2-CG1 4.26Å; V122-W150 HydrophobicContact CG1-CH2 4.25Å; V122-A171 HydrophobicContact CG1-CB 4.21Å; V122-A171 HydrophobicContact CG2-CB 3.83Å; V122-I173 HydrophobicContact CG1-CD1 4.05Å; V122-I173 HydrophobicContact CG1-CG1 4.08Å; V122-F191 HydrophobicContact CB-CE2 3.93Å; V122-F191 HydrophobicContact CB-CZ 4.27Å; V122-F191 HydrophobicContact CG1-CE2 4.35Å; V122-F191 HydrophobicContact CG2-CE2 3.9Å; V122-F191 HydrophobicContact CG2-CZ 4.19Å
123C98.7Very high96.8Very high0 Ų047 Ų470%024%0.235CC..EExtended strand (participates in β ladder)trans-109.2134.9-171.9-51.20000110.9V91 K110 F111 W132 V133V91-C123 HydrophobicContact CG1-CB 4.16Å; K110-C123 CarbonylContact C-O 3.59Å; K110-C123 WeakPolarHBondContact CA-O 3.48Å; K110-C123 WeakPolarHBondContact CB-O 3.37Å; F111-C123 HydrophobicContact CD1-CB 4.11Å; F111-C123 HydrophobicContact CD2-CB 3.98Å; F111-C123 HydrophobicContact CE1-CB 3.7Å; F111-C123 HydrophobicContact CE2-CB 3.53Å; F111-C123 HydrophobicContact CG-CB 4.27Å; F111-C123 HydrophobicContact CZ-CB 3.4Å; F111-C123 VanDerWaalsContact CZ-CB 3.4Å; F111-C123 PolarHBondContact N-O 2.87Å; F111-C123 PolarHBondContact O-N 3.09Å; C123-W132 HydrophobicContact CB-CE3 4.45Å; C123-V133 CarbonylContact C-O 3.39Å; C123-V133 WeakPolarHBondContact CA-O 3.3Å
124Y98.2Very high96.7Very high4 Ų447.2 Ų47.22%0.01624%0.236CC..EExtended strand (participates in β ladder)trans-139.2160.2176.665.6-83.3000109.7E126 V133 K135 I173 E175 V176Y124-E126 HydrophobicContact CD2-CG 4.12Å; Y124-E126 HydrophobicContact CE2-CG 3.46Å; Y124-E126 VanDerWaalsContact CE2-CG 3.46Å; Y124-E126 WeakPolarHBondContact CE2-OE1 3.47Å; Y124-E126 PolarHBondContact OH-OE1 2.85Å; Y124-V133 HydrophobicContact CE1-CB 4.16Å; Y124-V133 HydrophobicContact CE1-CG1 4.2Å; Y124-V133 HydrophobicContact CE2-CB 4.4Å; Y124-V133 PolarHBondContact N-O 2.93Å; Y124-V133 PolarHBondContact O-N 2.79Å; Y124-K135 HydrophobicContact CE1-CD 4.18Å; Y124-K135 HydrophobicContact CE1-CG 4.21Å; Y124-K135 WeakPolarHBondContact OH-CE 3.49Å; Y124-I173 HydrophobicContact CD1-CD1 4.26Å; Y124-I173 HydrophobicContact CD1-CG1 4.26Å; Y124-I173 HydrophobicContact CD1-CG2 3.69Å; Y124-I173 HydrophobicContact CD2-CG2 4.24Å; Y124-I173 HydrophobicContact CE1-CD1 4.36Å; Y124-I173 HydrophobicContact CE1-CG2 3.73Å; Y124-I173 HydrophobicContact CE2-CG2 4.28Å; Y124-I173 HydrophobicContact CG-CG2 3.96Å; Y124-E175 HydrophobicContact CE2-CB 4.24Å; Y124-V176 HydrophobicContact CD2-CG1 3.77Å; Y124-V176 HydrophobicContact CG-CG1 4.3Å; Y124-V176 HydrophobicContact CG-CG2 4.39Å
125F97.1Very high96.6Very high59 Ų5950 Ų5026%0.25925%0.249SC..EExtended strand (participates in β ladder)trans-95127.7-177.8-167.9-104000110.7D130 W132F125-D130 VanDerWaalsContact CZ-OD1 3.32Å; F125-D130 WeakPolarHBondContact CZ-OD1 3.06Å; F125-W132 HydrophobicContact CB-CD2 4.19Å; F125-W132 HydrophobicContact CB-CE3 4.11Å; F125-W132 HydrophobicContact CB-CH2 4.02Å; F125-W132 HydrophobicContact CB-CZ2 4.12Å; F125-W132 HydrophobicContact CB-CZ3 4.03Å; F125-W132 AromaticContact CD2-CD1 3.72Å; F125-W132 AromaticContact CD2-CD2 3.87Å; F125-W132 HydrophobicContact CD2-CD2 3.87Å; F125-W132 AromaticContact CD2-CE2 3.62Å; F125-W132 AromaticContact CD2-CG 3.92Å; F125-W132 HydrophobicContact CD2-CG 3.92Å; F125-W132 HydrophobicContact CD2-CZ2 4.15Å; F125-W132 AromaticContact CD2-NE1 3.54Å; F125-W132 AromaticContact CE2-NE1 3.97Å; F125-W132 HydrophobicContact CG-CZ2 4.48Å
126E94.9Very high96.6Very high48 Ų4851.5 Ų51.522%0.22426%0.255CS..EExtended strand (participates in β ladder)trans-9899.9173.4-76.2-174.4-176.100109.8Y124 E128 N129 D130 W131 V133Y124-E126 HydrophobicContact CD2-CG 4.12Å; Y124-E126 HydrophobicContact CE2-CG 3.46Å; Y124-E126 VanDerWaalsContact CE2-CG 3.46Å; Y124-E126 WeakPolarHBondContact CE2-OE1 3.47Å; Y124-E126 PolarHBondContact OH-OE1 2.85Å; E126-E128 PolarHBondContact O-N 3.49Å; E126-N129 PolarHBondContact O-N 2.8Å; E126-N129 VanDerWaalsContact O-N 3.14Å; E126-N129 PolarHBondContact OE2-ND2 3.01Å; E126-D130 PolarHBondContact O-N 3.05Å; E126-W131 PolarHBondContact N-O 3.17Å; E126-V133 HydrophobicContact CB-CG2 4.22Å; E126-V133 HydrophobicContact CG-CB 4.46Å; E126-V133 HydrophobicContact CG-CG2 3.71Å
127S92.1Very high96.6Very high102 Ų10250.8 Ų50.871%0.71325%0.247SC*.THydrogen-bonded Turntrans-59.8-29.7-176.8-58.20000114N129S127-N129 PolarHBondContact O-N 2.99Å
128E92.8Very high96.6Very high188 Ų18855.4 Ų55.488%0.87926%0.264SS*.THydrogen-bonded Turntrans-64-30.9179.2-63.9-176.6172.300112.6E126E126-E128 PolarHBondContact O-N 3.49Å
129N91.4Very high96.6Very high96 Ų9656.9 Ų56.951%0.51327%0.274SS..THydrogen-bonded Turntrans-113.8-3.2-173.6-64.7-46.6000112.6E126 S127 W131E126-N129 PolarHBondContact O-N 2.8Å; E126-N129 VanDerWaalsContact O-N 3.14Å; E126-N129 PolarHBondContact OE2-ND2 3.01Å; S127-N129 PolarHBondContact O-N 2.99Å; N129-W131 VanDerWaalsContact C-N 3.33Å; N129-W131 HydrophobicContact CB-CG 4.38Å; N129-W131 PolarHBondContact O-N 2.81Å
130D92.4Very high96.5Very high130 Ų13058.2 Ų58.270%0.69528%0.284SS*.THydrogen-bonded Turntrans55.938-178.8-158.641.8000114.6F125 E126F125-D130 VanDerWaalsContact CZ-OD1 3.32Å; F125-D130 WeakPolarHBondContact CZ-OD1 3.06Å; E126-D130 PolarHBondContact O-N 3.05Å
131W93.8Very high96.5Very high122 Ų12258.8 Ų58.846%0.46229%0.287SS..EExtended strand (participates in β ladder)trans-144.1161.2178.871.6-62.2000113.5E126 N129 V133E126-W131 PolarHBondContact N-O 3.17Å; N129-W131 VanDerWaalsContact C-N 3.33Å; N129-W131 HydrophobicContact CB-CG 4.38Å; N129-W131 PolarHBondContact O-N 2.81Å; W131-V133 HydrophobicContact CD2-CG2 3.91Å; W131-V133 HydrophobicContact CE3-CG2 4.03Å; W131-V133 HydrophobicContact CH2-CB 4.44Å; W131-V133 HydrophobicContact CH2-CG1 4.4Å; W131-V133 HydrophobicContact CH2-CG2 3.59Å; W131-V133 HydrophobicContact CZ2-CG2 3.43Å; W131-V133 VanDerWaalsContact CZ2-CG2 3.43Å; W131-V133 HydrophobicContact CZ3-CG2 3.88Å
132W97.4Very high96.4Very high14 Ų1466.2 Ų66.25%0.05332%0.315CS..EExtended strand (participates in β ladder)trans-86.8126.3175.8-72.391.4000111.7V78 V91 W104 F111 C123 F125V78-W132 HydrophobicContact CB-CZ2 4.21Å; V78-W132 HydrophobicContact CG1-CZ2 3.95Å; V78-W132 HydrophobicContact CG2-CD2 4.35Å; V78-W132 HydrophobicContact CG2-CH2 4.37Å; V78-W132 HydrophobicContact CG2-CZ2 3.8Å; V91-W132 HydrophobicContact CB-CB 4.14Å; V91-W132 HydrophobicContact CB-CG 4.45Å; V91-W132 HydrophobicContact CG1-CB 3.67Å; V91-W132 HydrophobicContact CG1-CG 4.31Å; V91-W132 HydrophobicContact CG2-CB 3.68Å; V91-W132 HydrophobicContact CG2-CD2 4.03Å; V91-W132 HydrophobicContact CG2-CG 3.49Å; V91-W132 VanDerWaalsContact CG2-CG 3.49Å; W104-W132 AromaticContact CH2-CH2 3.5Å; W104-W132 HydrophobicContact CH2-CH2 3.5Å; W104-W132 VanDerWaalsContact CH2-CH2 3.5Å; W104-W132 HydrophobicContact CH2-CZ2 4.05Å; W104-W132 HydrophobicContact CH2-CZ3 4.28Å; W104-W132 AromaticContact CZ3-CH2 3.78Å; W104-W132 HydrophobicContact CZ3-CH2 3.78Å; W104-W132 HydrophobicContact CZ3-CZ3 4.3Å; F111-W132 HydrophobicContact CD1-CE3 4.27Å; F111-W132 HydrophobicContact CD1-CH2 4.23Å; F111-W132 AromaticContact CD1-CZ3 3.75Å; F111-W132 HydrophobicContact CD1-CZ3 3.75Å; F111-W132 HydrophobicContact CE1-CD2 4.13Å; F111-W132 AromaticContact CE1-CE3 3.52Å; F111-W132 HydrophobicContact CE1-CE3 3.52Å; F111-W132 AromaticContact CE1-CH2 3.98Å; F111-W132 HydrophobicContact CE1-CH2 3.98Å; F111-W132 AromaticContact CE1-CZ3 3.42Å; F111-W132 HydrophobicContact CE1-CZ3 3.42Å; F111-W132 VanDerWaalsContact CE1-CZ3 3.42Å; F111-W132 HydrophobicContact CZ-CE3 4.35Å; C123-W132 HydrophobicContact CB-CE3 4.45Å; F125-W132 HydrophobicContact CB-CD2 4.19Å; F125-W132 HydrophobicContact CB-CE3 4.11Å; F125-W132 HydrophobicContact CB-CH2 4.02Å; F125-W132 HydrophobicContact CB-CZ2 4.12Å; F125-W132 HydrophobicContact CB-CZ3 4.03Å; F125-W132 AromaticContact CD2-CD1 3.72Å; F125-W132 AromaticContact CD2-CD2 3.87Å; F125-W132 HydrophobicContact CD2-CD2 3.87Å; F125-W132 AromaticContact CD2-CE2 3.62Å; F125-W132 AromaticContact CD2-CG 3.92Å; F125-W132 HydrophobicContact CD2-CG 3.92Å; F125-W132 HydrophobicContact CD2-CZ2 4.15Å; F125-W132 AromaticContact CD2-NE1 3.54Å; F125-W132 AromaticContact CE2-NE1 3.97Å; F125-W132 HydrophobicContact CG-CZ2 4.48Å
133V96.9Very high96.3Very high18 Ų1867.9 Ų67.911%0.10933%0.326CS..EExtended strand (participates in β ladder)trans-104.6144.1175.6-175.90000109.9C123 Y124 E126 W131C123-V133 CarbonylContact C-O 3.39Å; C123-V133 WeakPolarHBondContact CA-O 3.3Å; Y124-V133 HydrophobicContact CE1-CB 4.16Å; Y124-V133 HydrophobicContact CE1-CG1 4.2Å; Y124-V133 HydrophobicContact CE2-CB 4.4Å; Y124-V133 PolarHBondContact N-O 2.93Å; Y124-V133 PolarHBondContact O-N 2.79Å; E126-V133 HydrophobicContact CB-CG2 4.22Å; E126-V133 HydrophobicContact CG-CB 4.46Å; E126-V133 HydrophobicContact CG-CG2 3.71Å; W131-V133 HydrophobicContact CD2-CG2 3.91Å; W131-V133 HydrophobicContact CE3-CG2 4.03Å; W131-V133 HydrophobicContact CH2-CB 4.44Å; W131-V133 HydrophobicContact CH2-CG1 4.4Å; W131-V133 HydrophobicContact CH2-CG2 3.59Å; W131-V133 HydrophobicContact CZ2-CG2 3.43Å; W131-V133 VanDerWaalsContact CZ2-CG2 3.43Å; W131-V133 HydrophobicContact CZ3-CG2 3.88Å
134S96.9Very high96.3Very high6 Ų669.7 Ų69.74%0.04234%0.338CS..EExtended strand (participates in β ladder)trans-117.9127.9176.7166.90000110.6L93 R94 S121 V122L93-S134 PolarHBondContact O-OG 3.22Å; R94-S134 PolarHBondContact NH2-O 3.44Å; S121-S134 WeakPolarHBondContact CB-OG 3.46Å; V122-S134 WeakPolarHBondContact O-CA 3.4Å
135K98.1Very high96.3Very high60 Ų6069.5 Ų69.526%0.26134%0.337SS..EExtended strand (participates in β ladder)trans-107.7144.4166.8-69.6-176.4-176.21690109.6V122 Y124 I173 E175 F191V122-K135 PolarHBondContact N-O 3Å; V122-K135 PolarHBondContact O-N 3.05Å; Y124-K135 HydrophobicContact CE1-CD 4.18Å; Y124-K135 HydrophobicContact CE1-CG 4.21Å; Y124-K135 WeakPolarHBondContact OH-CE 3.49Å; K135-I173 HydrophobicContact CB-CD1 4.43Å; K135-I173 HydrophobicContact CD-CD1 3.92Å; K135-E175 IonicContact NZ-OE1 3.05Å; K135-E175 PolarHBondContact NZ-OE1 3.42Å; K135-E175 IonicContact NZ-OE2 2.89Å; K135-E175 PolarHBondContact NZ-OE2 2.82Å; K135-F191 HydrophobicContact CB-CE1 3.82Å; K135-F191 HydrophobicContact CB-CE2 4.01Å; K135-F191 HydrophobicContact CB-CZ 3.46Å; K135-F191 VanDerWaalsContact CB-CZ 3.46Å
136H98.7Very high96.4Very high30 Ų3068.8 Ų68.814%0.13934%0.335CS..EExtended strand (participates in β ladder)trans-108.3130-171.9-65.1162.2000113.5L93 R94 I120 S121 K138 F191L93-H136 PolarHBondContact O-NE2 2.81Å; R94-H136 PolarHBondContact O-CE1 3.43Å; I120-H136 CarbonylContact O-C 3.58Å; I120-H136 WeakPolarHBondContact O-CA 3.42Å; S121-H136 PolarHBondContact OG-CD2 2.85Å; S121-H136 PolarHBondContact OG-NE2 3.02Å; H136-K138 HydrophobicContact CB-CD 4.41Å; H136-K138 HydrophobicContact CB-CG 4.03Å; H136-K138 WeakPolarHBondContact ND1-CE 3.22Å; H136-F191 WeakPolarHBondContact O-CE1 3.49Å
137I98.7Very high96.6Very high3 Ų366.7 Ų66.72%0.01533%0.326CS..EExtended strand (participates in β ladder)trans-95.6112.2163.4-54.1177.2000107.4L119 I120 V122 F169 A171 F191L119-I137 WeakPolarHBondContact CA-O 3.23Å; L119-I137 WeakPolarHBondContact CB-O 3.27Å; I120-I137 HydrophobicContact CB-CB 4.27Å; I120-I137 PolarHBondContact N-O 3.17Å; I120-I137 PolarHBondContact O-N 3Å; V122-I137 HydrophobicContact CG2-CD1 3.94Å; V122-I137 HydrophobicContact CG2-CG1 4.26Å; I137-F169 HydrophobicContact CD1-CB 4.01Å; I137-F169 HydrophobicContact CG2-CB 4.36Å; I137-F169 HydrophobicContact CG2-CD1 3.63Å; I137-F169 HydrophobicContact CG2-CD2 4.22Å; I137-F169 HydrophobicContact CG2-CE1 3.82Å; I137-F169 HydrophobicContact CG2-CE2 4.39Å; I137-F169 HydrophobicContact CG2-CG 3.82Å; I137-F169 HydrophobicContact CG2-CZ 4.19Å; I137-A171 HydrophobicContact CD1-CB 4.12Å; I137-F191 HydrophobicContact CD1-CE2 4.41Å; I137-F191 HydrophobicContact CD1-CZ 4.39Å; I137-F191 HydrophobicContact CG1-CE1 4.04Å; I137-F191 HydrophobicContact CG1-CE2 4.13Å; I137-F191 HydrophobicContact CG1-CZ 3.63Å
138K98Very high96.9Very high117 Ų11762 Ų6251%0.50929%0.293SS..  trans-111.1-55.3-173.4-67.2177.2177.91670113L119 H136 I141L119-K138 HydrophobicContact CB-CG 3.91Å; L119-K138 HydrophobicContact CD2-CG 4.29Å; H136-K138 HydrophobicContact CB-CD 4.41Å; H136-K138 HydrophobicContact CB-CG 4.03Å; H136-K138 WeakPolarHBondContact ND1-CE 3.22Å; K138-I141 WeakPolarHBondContact O-CB 3.4Å; K138-I141 PolarHBondContact O-N 3Å
139K97Very high97.2Very high183 Ų18354.4 Ų54.480%0.79626%0.258SS*.THydrogen-bonded Turntrans-87.4141.8-175.5-65.8-175.9178.9-179.10110.5F169K139-F169 WeakPolarHBondContact O-CE1 3.43Å
140P97.4Very high97.5Very high42 Ų4250.3 Ų50.327%0.27324%0.236SC..THydrogen-bonded Turncis-98.932.8-1.940.3-36.6000113.5R142 R167 L194P140-R142 WeakPolarHBondContact O-CG 3.35Å; P140-R142 PolarHBondContact O-N 3.22Å; P140-R167 PolarHBondContact O-NH2 3.36Å; P140-L194 HydrophobicContact CG-CD2 3.98Å
141I98Very high97.8Very high13 Ų1344.7 Ų44.77%0.06721%0.205CC..  trans-65.4124.6-176.3-57.4171.7000109.7R118 I120 K138 S143 V145 F169R118-I141 HydrophobicContact CB-CG2 4.3Å; R118-I141 WeakPolarHBondContact O-CB 3.47Å; R118-I141 WeakPolarHBondContact O-CG2 3.36Å; I120-I141 HydrophobicContact CD1-CD1 3.84Å; I120-I141 HydrophobicContact CG1-CD1 3.85Å; K138-I141 WeakPolarHBondContact O-CB 3.4Å; K138-I141 PolarHBondContact O-N 3Å; I141-S143 VanDerWaalsContact CG2-O 3.27Å; I141-S143 WeakPolarHBondContact CG2-O 3.42Å; I141-V145 HydrophobicContact CD1-CG2 4.14Å; I141-V145 HydrophobicContact CG2-CG2 3.91Å; I141-F169 HydrophobicContact CD1-CE2 3.98Å; I141-F169 HydrophobicContact CD1-CZ 4.09Å; I141-F169 HydrophobicContact CG1-CE2 4.09Å; I141-F169 HydrophobicContact CG1-CZ 3.84Å
142R96.9Very high98Very high155 Ų15541.7 Ų41.759%0.58520%0.201SC*.  trans-111.3-6.8-175.2-68.6-170-68-110.41.1114.8R118 P140 D163R118-R142 WeakPolarHBondContact CD-O 3.49Å; P140-R142 WeakPolarHBondContact O-CG 3.35Å; P140-R142 PolarHBondContact O-N 3.22Å; R142-D163 HydrophobicContact CB-CB 4.02Å; R142-D163 PolarHBondContact N-OD2 2.67Å
143S97.5Very high98Very high35 Ų3543.3 Ų43.325%0.24521%0.211CC..SBendtrans-147.6-177.1-180-1570000111.4R118 I141 V145 C162R118-S143 WeakPolarHBondContact CA-O 3.31Å; I141-S143 VanDerWaalsContact CG2-O 3.27Å; I141-S143 WeakPolarHBondContact CG2-O 3.42Å; S143-V145 PolarHBondContact O-N 2.86Å; S143-C162 VanDerWaalsContact OG-CB 3.29Å; S143-C162 WeakPolarHBondContact OG-CB 3.45Å
144T98.5Very high98.1Very high39 Ų3942.5 Ų42.524%0.23921%0.207CC..  trans-54.1134.9177.6-58.90000111.4T100 L146 S161 C162T100-T144 HydrophobicContact CG2-CG2 3.76Å; T144-L146 HydrophobicContact CG2-CD2 4.05Å; T144-S161 CarbonylContact O-C 3.52Å; T144-S161 VanDerWaalsContact O-CA 3.22Å; T144-S161 WeakPolarHBondContact O-CA 3.24Å; T144-S161 VanDerWaalsContact O-CB 3.23Å; T144-S161 WeakPolarHBondContact O-CB 3.31Å; T144-C162 PolarHBondContact O-N 3.37Å
145V98.8Very high98.2Very high0 Ų042.4 Ų42.40%021%0.205CC..EExtended strand (participates in β ladder)trans-85.2126.2171-178.50000108.4T100 S115 I120 I141 S143 L148 A159 G160T100-V145 WeakPolarHBondContact CB-O 3.44Å; T100-V145 PolarHBondContact OG1-O 3.29Å; S115-V145 PolarHBondContact O-N 3.31Å; I120-V145 HydrophobicContact CG1-CG1 4.32Å; I120-V145 HydrophobicContact CG1-CG2 4.04Å; I141-V145 HydrophobicContact CD1-CG2 4.14Å; I141-V145 HydrophobicContact CG2-CG2 3.91Å; S143-V145 PolarHBondContact O-N 2.86Å; V145-L148 HydrophobicContact CG1-CD2 3.94Å; V145-L148 HydrophobicContact CG1-CG 4.31Å; V145-A159 HydrophobicContact CG1-CB 4.33Å; V145-G160 CarbonylContact C-O 3.6Å
146L98.6Very high98.2Very high43 Ų4339.5 Ų39.523%0.22519%0.193CC..EExtended strand (participates in β ladder)trans-102.9-32.4-174.4-65.1179.9000113.2F101 T144 G160 C162 W206F101-L146 WeakPolarHBondContact CD2-O 3.29Å; T144-L146 HydrophobicContact CG2-CD2 4.05Å; L146-G160 PolarHBondContact N-O 3.46Å; L146-C162 VanDerWaalsContact CD1-SG 3.54Å; L146-W206 HydrophobicContact CD1-CB 3.99Å
147S98.6Very high98.2Very high4 Ų438.1 Ų38.13%0.02819%0.186CC..EExtended strand (participates in β ladder)trans-146154-177.947.10000112A159 G160 H208 G209S147-A159 WeakPolarHBondContact O-CA 3.24Å; S147-G160 PolarHBondContact N-O 3.09Å; S147-G160 PolarHBondContact O-N 3.3Å; S147-H208 WeakPolarHBondContact CB-O 3.18Å; S147-H208 PolarHBondContact OG-O 3.02Å; S147-G209 WeakPolarHBondContact OG-CA 3.2Å
148L98.9Very high98.2Very high4 Ų438 Ų382%0.02119%0.186CC..EExtended strand (participates in β ladder)trans-138.3144.9177.7-64.3171.7000109.4F101 A112 I120 V145 L157 A158 A159F101-L148 HydrophobicContact CD1-CB 3.9Å; F101-L148 HydrophobicContact CD1-CG 4.28Å; F101-L148 HydrophobicContact CE1-CB 4.25Å; F101-L148 WeakPolarHBondContact CE1-O 3.19Å; A112-L148 HydrophobicContact CB-CD1 3.84Å; A112-L148 WeakPolarHBondContact O-CD1 3.34Å; I120-L148 HydrophobicContact CD1-CD2 3.8Å; I120-L148 HydrophobicContact CG1-CD2 4.16Å; I120-L148 HydrophobicContact CG2-CD1 4.33Å; I120-L148 HydrophobicContact CG2-CD2 4.36Å; V145-L148 HydrophobicContact CG1-CD2 3.94Å; V145-L148 HydrophobicContact CG1-CG 4.31Å; L148-L157 HydrophobicContact CB-CD1 4.24Å; L148-L157 HydrophobicContact CD2-CD1 4.32Å; L148-L157 HydrophobicContact CD2-CD2 4.22Å; L148-L157 HydrophobicContact CD2-CG 4.26Å; L148-A158 VanDerWaalsContact CA-O 3.3Å; L148-A158 WeakPolarHBondContact CA-O 3.14Å; L148-A159 HydrophobicContact CD2-CB 3.74Å
149D98.8Very high98.3Very high28 Ų2832.5 Ų32.515%0.1516%0.162CC..EExtended strand (participates in β ladder)trans-145.7135.7166.1-166.931.8000110.4A158 V210 S211 F212 K337D149-A158 PolarHBondContact N-O 2.8Å; D149-A158 VanDerWaalsContact N-O 3.15Å; D149-A158 PolarHBondContact O-N 3.11Å; D149-V210 HydrophobicContact CB-CG2 4.15Å; D149-S211 VanDerWaalsContact OD2-CA 3.25Å; D149-S211 WeakPolarHBondContact OD2-CA 3.2Å; D149-F212 PolarHBondContact OD2-N 3.15Å; D149-K337 IonicContact OD1-NZ 3.42Å; D149-K337 IonicContact OD2-NZ 3.14Å; D149-K337 PolarHBondContact OD2-NZ 3.25Å
150W98.8Very high98.3Very high11 Ų1123.8 Ų23.84%0.04212%0.124CC..EExtended strand (participates in β ladder)trans-85.7139.4-179.2-74.196000110.5K103 W104 P106 K110 A112 V122 N154 L157 A171K103-W150 PolarHBondContact O-NE1 3.43Å; W104-W150 PolarHBondContact O-NE1 3.13Å; P106-W150 HydrophobicContact CG-CB 4.2Å; K110-W150 HydrophobicContact CD-CH2 3.92Å; K110-W150 HydrophobicContact CD-CZ3 4.47Å; K110-W150 VanDerWaalsContact CE-CZ3 3.47Å; K110-W150 HydrophobicContact CG-CH2 4.14Å; K110-W150 HydrophobicContact CG-CZ2 4.35Å; A112-W150 HydrophobicContact CB-CH2 4.46Å; A112-W150 HydrophobicContact CB-CZ2 3.55Å; V122-W150 HydrophobicContact CG1-CH2 4.25Å; W150-N154 WeakPolarHBondContact CZ3-O 3.36Å; W150-L157 HydrophobicContact CD2-CD1 3.73Å; W150-L157 HydrophobicContact CE3-CB 4.25Å; W150-L157 HydrophobicContact CE3-CD1 4.15Å; W150-L157 HydrophobicContact CG-CD1 3.99Å; W150-L157 HydrophobicContact CZ2-CD1 4.3Å; W150-L157 HydrophobicContact CZ3-CB 4.28Å; W150-A171 HydrophobicContact CH2-CB 3.55Å; W150-A171 HydrophobicContact CZ3-CB 3.61Å
151H98.7Very high98.4Very high11 Ų1121.8 Ų21.85%0.05111%0.112CC..  trans-70.7148.8166.7-176.9-84.2000109.9N153 N154 L156 F212 G216H151-N153 WeakPolarHBondContact ND1-CB 3.37Å; H151-N153 PolarHBondContact ND1-N 3.31Å; H151-N153 PolarHBondContact ND1-OD1 2.92Å; H151-N153 PolarHBondContact O-N 2.74Å; H151-N154 PolarHBondContact O-N 3.03Å; H151-L156 HydrophobicContact CB-CB 3.49Å; H151-L156 VanDerWaalsContact CB-CB 3.49Å; H151-L156 VanDerWaalsContact CB-O 3.27Å; H151-L156 WeakPolarHBondContact CB-O 3.16Å; H151-L156 PolarHBondContact N-O 3.14Å; H151-F212 HydrophobicContact CB-CD2 3.92Å; H151-F212 HydrophobicContact CB-CE1 4.49Å; H151-F212 HydrophobicContact CB-CE2 3.76Å; H151-F212 HydrophobicContact CB-CG 4.32Å; H151-F212 HydrophobicContact CB-CZ 4.08Å; H151-F212 AromaticContact CD2-CD1 3.96Å; H151-F212 AromaticContact CD2-CE1 3.9Å; H151-G216 VanDerWaalsContact CD2-CA 3.48Å; H151-G216 WeakPolarHBondContact CD2-CA 2.9Å; H151-G216 PolarHBondContact CD2-O 2.86Å; H151-G216 WeakPolarHBondContact NE2-CA 3.39Å; H151-G216 PolarHBondContact NE2-O 2.75Å
152P97.8Very high98.3Very high59 Ų5922.3 Ų22.338%0.38312%0.116SC..THydrogen-bonded Turntrans-55.2-26.5-178.920.6-36.1000114.7N154 A214P152-N154 PolarHBondContact O-N 3.46Å; P152-N154 VanDerWaalsContact O-N 3.14Å; P152-A214 WeakPolarHBondContact CG-O 3.42Å
153N97.5Very high98.3Very high48 Ų4815.7 Ų15.726%0.2579%0.092SC..THydrogen-bonded Turntrans-71.74176.680.3-11.7000115.2H151 V155 L156H151-N153 WeakPolarHBondContact ND1-CB 3.37Å; H151-N153 PolarHBondContact ND1-N 3.31Å; H151-N153 PolarHBondContact ND1-OD1 2.92Å; H151-N153 PolarHBondContact O-N 2.74Å; N153-V155 PolarHBondContact O-N 2.91Å; N153-V155 PolarHBondContact OD1-N 3.01Å; N153-L156 PolarHBondContact OD1-N 3.08Å
154N98.2Very high98.3Very high2 Ų218 Ų181%0.01110%0.098CC..SBendtrans65.12-179.8-15671.6000115.5S105 P106 L107 N109 K110 W150 H151 P152 D177S105-N154 WeakPolarHBondContact CB-OD1 3.48Å; S105-N154 PolarHBondContact OG-OD1 3.42Å; P106-N154 WeakPolarHBondContact CD-OD1 3.44Å; L107-N154 HydrophobicContact CB-CB 4.49Å; L107-N154 WeakPolarHBondContact CB-OD1 3.23Å; L107-N154 HydrophobicContact CD1-CB 3.86Å; L107-N154 HydrophobicContact CG-CB 3.86Å; L107-N154 PolarHBondContact N-OD1 3.22Å; N109-N154 PolarHBondContact ND2-ND2 3.3Å; N109-N154 PolarHBondContact OD1-ND2 2.8Å; K110-N154 WeakPolarHBondContact CE-O 3.37Å; K110-N154 PolarHBondContact NZ-O 3.29Å; W150-N154 WeakPolarHBondContact CZ3-O 3.36Å; H151-N154 PolarHBondContact O-N 3.03Å; P152-N154 PolarHBondContact O-N 3.46Å; P152-N154 VanDerWaalsContact O-N 3.14Å; N154-D177 PolarHBondContact ND2-OD1 2.67Å
155V98.6Very high98.2Very high3 Ų317.5 Ų17.52%0.0189%0.093CC..SBendtrans-116.4-49-172.4168.10000112.2N153 A171 Y172 P180 M189N153-V155 PolarHBondContact O-N 2.91Å; N153-V155 PolarHBondContact OD1-N 3.01Å; V155-A171 PolarHBondContact O-N 2.67Å; V155-Y172 HydrophobicContact CG2-CD2 4.25Å; V155-P180 HydrophobicContact CB-CB 4.39Å; V155-P180 HydrophobicContact CG1-CB 4.35Å; V155-P180 HydrophobicContact CG1-CG 4.26Å; V155-P180 HydrophobicContact CG2-CB 4.1Å; V155-P180 HydrophobicContact CG2-CG 4.42Å; V155-M189 HydrophobicContact CG1-CB 4.33Å; V155-M189 HydrophobicContact CG1-SD 4.28Å
156L98.7Very high98.2Very high0 Ų017.5 Ų17.50%09%0.093CC..EExtended strand (participates in β ladder)trans-75.6140.8179-62.2170.2000109.9H151 N153 V168 F169 T183 W185 M189 M195H151-L156 HydrophobicContact CB-CB 3.49Å; H151-L156 VanDerWaalsContact CB-CB 3.49Å; H151-L156 VanDerWaalsContact CB-O 3.27Å; H151-L156 WeakPolarHBondContact CB-O 3.16Å; H151-L156 PolarHBondContact N-O 3.14Å; N153-L156 PolarHBondContact OD1-N 3.08Å; L156-V168 HydrophobicContact CB-CG1 4.17Å; L156-V168 HydrophobicContact CD2-CG1 4.12Å; L156-F169 CarbonylContact C-O 3.46Å; L156-F169 WeakPolarHBondContact CA-O 3.43Å; L156-T183 HydrophobicContact CD1-CG2 4.09Å; L156-W185 HydrophobicContact CD1-CB 3.89Å; L156-W185 HydrophobicContact CD1-CG 3.93Å; L156-M189 HydrophobicContact CD1-SD 4.44Å; L156-M189 HydrophobicContact CD2-CG 4.14Å; L156-M189 HydrophobicContact CD2-SD 3.77Å; L156-M189 HydrophobicContact CG-SD 4.05Å; L156-M195 HydrophobicContact CD2-CB 4.49Å; L156-M195 HydrophobicContact CD2-CE 4.38Å; L156-M195 HydrophobicContact CD2-CG 3.63Å; L156-M195 HydrophobicContact CD2-SD 4.4Å
157L98.9Very high98.1Very high0 Ų015.5 Ų15.50%08%0.082CC..EExtended strand (participates in β ladder)trans-133.9119.5-176.6178.866.2000109.1A112 I120 L148 W150 V168 F169 A171A112-L157 HydrophobicContact CB-CD1 4.12Å; A112-L157 HydrophobicContact CB-CD2 3.56Å; I120-L157 HydrophobicContact CD1-CD2 4.36Å; I120-L157 HydrophobicContact CG2-CD2 3.87Å; L148-L157 HydrophobicContact CB-CD1 4.24Å; L148-L157 HydrophobicContact CD2-CD1 4.32Å; L148-L157 HydrophobicContact CD2-CD2 4.22Å; L148-L157 HydrophobicContact CD2-CG 4.26Å; W150-L157 HydrophobicContact CD2-CD1 3.73Å; W150-L157 HydrophobicContact CE3-CB 4.25Å; W150-L157 HydrophobicContact CE3-CD1 4.15Å; W150-L157 HydrophobicContact CG-CD1 3.99Å; W150-L157 HydrophobicContact CZ2-CD1 4.3Å; W150-L157 HydrophobicContact CZ3-CB 4.28Å; L157-V168 WeakPolarHBondContact O-CA 3.36Å; L157-F169 PolarHBondContact N-O 2.85Å; L157-F169 PolarHBondContact O-N 2.89Å; L157-A171 HydrophobicContact CB-CB 4.19Å; L157-A171 HydrophobicContact CD2-CB 4.32Å
158A98.8Very high98.1Very high0 Ų015.3 Ų15.30%08%0.081CC..EExtended strand (participates in β ladder)trans-82.5145171.700000109.8L148 D149 R167 V210 F212 L219L148-A158 VanDerWaalsContact CA-O 3.3Å; L148-A158 WeakPolarHBondContact CA-O 3.14Å; D149-A158 PolarHBondContact N-O 2.8Å; D149-A158 VanDerWaalsContact N-O 3.15Å; D149-A158 PolarHBondContact O-N 3.11Å; A158-R167 CarbonylContact C-O 3.47Å; A158-R167 VanDerWaalsContact CA-O 3.24Å; A158-R167 WeakPolarHBondContact CA-O 3.21Å; A158-V210 HydrophobicContact CB-CB 4.34Å; A158-V210 HydrophobicContact CB-CG2 4.05Å; A158-F212 HydrophobicContact CB-CD2 3.96Å; A158-F212 HydrophobicContact CB-CE2 3.46Å; A158-F212 VanDerWaalsContact CB-CE2 3.46Å; A158-F212 HydrophobicContact CB-CZ 3.99Å; A158-L219 HydrophobicContact CB-CD1 3.56Å; A158-L219 HydrophobicContact CB-CD2 4.04Å; A158-L219 HydrophobicContact CB-CG 4.48Å
159A98.9Very high98.1Very high2 Ų215.1 Ų15.12%0.0178%0.08CC..EExtended strand (participates in β ladder)trans-141.8128.9177.500000111.6I120 V145 S147 L148 C166 R167 F169I120-A159 HydrophobicContact CD1-CB 3.65Å; V145-A159 HydrophobicContact CG1-CB 4.33Å; S147-A159 WeakPolarHBondContact O-CA 3.24Å; L148-A159 HydrophobicContact CD2-CB 3.74Å; A159-C166 CarbonylContact O-C 3.56Å; A159-C166 WeakPolarHBondContact O-CA 3.43Å; A159-R167 PolarHBondContact N-O 3.3Å; A159-R167 PolarHBondContact O-N 3.09Å; A159-F169 HydrophobicContact CB-CE2 4.44Å
160G98.5Very high98.1Very high0 Ų013.8 Ų13.80%07%0.073CC..EExtended strand (participates in β ladder)trans-100.6137.4168.500000110.8V145 L146 S147 V207V145-G160 CarbonylContact C-O 3.6Å; L146-G160 PolarHBondContact N-O 3.46Å; S147-G160 PolarHBondContact N-O 3.09Å; S147-G160 PolarHBondContact O-N 3.3Å; G160-V207 CarbonylContact C-O 3.53Å
161S98.1Very high98.1Very high1 Ų113.3 Ų13.31%0.0077%0.071CC..EExtended strand (participates in β ladder)trans-140.2160.1-177.343.60000114.5T144 D163 F164 K165 R167 V207T144-S161 CarbonylContact O-C 3.52Å; T144-S161 VanDerWaalsContact O-CA 3.22Å; T144-S161 WeakPolarHBondContact O-CA 3.24Å; T144-S161 VanDerWaalsContact O-CB 3.23Å; T144-S161 WeakPolarHBondContact O-CB 3.31Å; S161-D163 VanDerWaalsContact CB-OD1 3.32Å; S161-D163 WeakPolarHBondContact CB-OD1 3.34Å; S161-D163 PolarHBondContact O-N 3.07Å; S161-D163 VanDerWaalsContact O-N 3.12Å; S161-D163 PolarHBondContact OG-OD1 3.35Å; S161-F164 PolarHBondContact O-N 3.35Å; S161-F164 VanDerWaalsContact O-N 3.16Å; S161-K165 PolarHBondContact N-O 3.3Å; S161-K165 VanDerWaalsContact N-O 3.13Å; S161-K165 PolarHBondContact OG-O 3.31Å; S161-R167 PolarHBondContact OG-NH1 2.72Å; S161-V207 PolarHBondContact O-N 2.94Å
162C97.1Very high98.1Very high23 Ų2315 Ų1516%0.1558%0.077CC..THydrogen-bonded Turntrans-69.70.7177.4-68.90000114.2S143 T144 L146 W206S143-C162 VanDerWaalsContact OG-CB 3.29Å; S143-C162 WeakPolarHBondContact OG-CB 3.45Å; T144-C162 PolarHBondContact O-N 3.37Å; L146-C162 VanDerWaalsContact CD1-SG 3.54Å; C162-W206 HydrophobicContact CB-CG 4.31Å
163D96Very high98.1Very high16 Ų1612.2 Ų12.29%0.0866%0.059CC..THydrogen-bonded Turntrans-90.316.4169.163.7-1.5000112.1R142 S161 K165 R167R142-D163 HydrophobicContact CB-CB 4.02Å; R142-D163 PolarHBondContact N-OD2 2.67Å; S161-D163 VanDerWaalsContact CB-OD1 3.32Å; S161-D163 WeakPolarHBondContact CB-OD1 3.34Å; S161-D163 PolarHBondContact O-N 3.07Å; S161-D163 VanDerWaalsContact O-N 3.12Å; S161-D163 PolarHBondContact OG-OD1 3.35Å; D163-K165 VanDerWaalsContact C-N 3.3Å; D163-K165 PolarHBondContact O-N 2.67Å; D163-R167 IonicContact OD1-CZ 3.67Å; D163-R167 IonicContact OD1-NH1 2.96Å; D163-R167 PolarHBondContact OD1-NH1 3.22Å; D163-R167 VanDerWaalsContact OD1-NH1 3.14Å; D163-R167 IonicContact OD1-NH2 2.76Å; D163-R167 IonicContact OD2-CZ 2.88Å; D163-R167 VanDerWaalsContact OD2-CZ 3.3Å; D163-R167 IonicContact OD2-NH1 3.7Å; D163-R167 PolarHBondContact OD2-NH1 2.81Å; D163-R167 IonicContact OD2-NH2 3.43Å; D163-R167 PolarHBondContact OD2-NH2 2.85Å
164F97.1Very high98.1Very high84 Ų8417.9 Ų17.937%0.3688%0.081SC..THydrogen-bonded Turntrans68.824.8174.7-36.5-53.5000114S161 G200 G204 G205 W206S161-F164 PolarHBondContact O-N 3.35Å; S161-F164 VanDerWaalsContact O-N 3.16Å; F164-G200 PolarHBondContact O-N 3.14Å; F164-G204 WeakPolarHBondContact CD1-O 3.27Å; F164-G204 WeakPolarHBondContact CE1-O 3.38Å; F164-G205 WeakPolarHBondContact CA-O 3.35Å; F164-G205 VanDerWaalsContact CD1-C 3.41Å; F164-G205 WeakPolarHBondContact CD1-O 3.34Å; F164-W206 AromaticContact CD1-CD1 3.78Å; F164-W206 AromaticContact CE1-CD1 3.38Å; F164-W206 HydrophobicContact CE1-CG 4.44Å; F164-W206 AromaticContact CE1-NE1 3.66Å
165K97Very high97.9Very high29 Ų2923 Ų2313%0.12611%0.105CC..EExtended strand (participates in β ladder)trans-117.7140.7-176.4-59.5-63.6-172.3146.50111.9S161 D163 R167 E197 F198 G199 V207S161-K165 PolarHBondContact N-O 3.3Å; S161-K165 VanDerWaalsContact N-O 3.13Å; S161-K165 PolarHBondContact OG-O 3.31Å; D163-K165 VanDerWaalsContact C-N 3.3Å; D163-K165 PolarHBondContact O-N 2.67Å; K165-R167 HydrophobicContact CB-CG 4.3Å; K165-E197 HydrophobicContact CB-CG 4.4Å; K165-E197 HydrophobicContact CD-CG 3.95Å; K165-E197 WeakPolarHBondContact CE-OE1 3.49Å; K165-E197 HydrophobicContact CG-CG 4.35Å; K165-E197 IonicContact NZ-OE1 3.61Å; K165-E197 PolarHBondContact NZ-OE1 2.99Å; K165-F198 VanDerWaalsContact CA-O 3.28Å; K165-F198 WeakPolarHBondContact CA-O 3.46Å; K165-F198 WeakPolarHBondContact CD-O 3.25Å; K165-G199 WeakPolarHBondContact CD-O 3.41Å; K165-G199 VanDerWaalsContact CE-O 3.32Å; K165-G199 WeakPolarHBondContact CE-O 3.45Å; K165-G199 PolarHBondContact NZ-O 2.83Å; K165-V207 WeakPolarHBondContact O-CG2 3.17Å
166C97.6Very high97.8Very high0 Ų025 Ų250%012%0.117CC..EExtended strand (participates in β ladder)trans-104.1129.7160.2-176.70000107.5A159 F198 V207 W221A159-C166 CarbonylContact O-C 3.56Å; A159-C166 WeakPolarHBondContact O-CA 3.43Å; C166-F198 HydrophobicContact CB-CB 4.32Å; C166-F198 HydrophobicContact CB-CD2 4.36Å; C166-F198 PolarHBondContact N-O 2.91Å; C166-F198 VanDerWaalsContact N-O 3.14Å; C166-F198 PolarHBondContact O-N 3.25Å; C166-V207 HydrophobicContact CB-CG1 4.33Å; C166-W221 HydrophobicContact CB-CB 4.31Å; C166-W221 HydrophobicContact CB-CD2 3.79Å; C166-W221 HydrophobicContact CB-CE3 4.24Å; C166-W221 HydrophobicContact CB-CG 3.83Å
167R98.3Very high97.7Very high1 Ų125.8 Ų25.80%0.00412%0.121CC..EExtended strand (participates in β ladder)trans-129.6151.2-176.4-65-176.7-177.497.8-6111.1P140 A158 A159 S161 D163 K165 F169 L194 S196 E197P140-R167 PolarHBondContact O-NH2 3.36Å; A158-R167 CarbonylContact C-O 3.47Å; A158-R167 VanDerWaalsContact CA-O 3.24Å; A158-R167 WeakPolarHBondContact CA-O 3.21Å; A159-R167 PolarHBondContact N-O 3.3Å; A159-R167 PolarHBondContact O-N 3.09Å; S161-R167 PolarHBondContact OG-NH1 2.72Å; D163-R167 IonicContact OD1-CZ 3.67Å; D163-R167 IonicContact OD1-NH1 2.96Å; D163-R167 PolarHBondContact OD1-NH1 3.22Å; D163-R167 VanDerWaalsContact OD1-NH1 3.14Å; D163-R167 IonicContact OD1-NH2 2.76Å; D163-R167 IonicContact OD2-CZ 2.88Å; D163-R167 VanDerWaalsContact OD2-CZ 3.3Å; D163-R167 IonicContact OD2-NH1 3.7Å; D163-R167 PolarHBondContact OD2-NH1 2.81Å; D163-R167 IonicContact OD2-NH2 3.43Å; D163-R167 PolarHBondContact OD2-NH2 2.85Å; K165-R167 HydrophobicContact CB-CG 4.3Å; R167-F169 HydrophobicContact CB-CD2 4.11Å; R167-F169 HydrophobicContact CB-CE2 3.56Å; R167-F169 HydrophobicContact CB-CZ 4.03Å; R167-F169 VanDerWaalsContact CD-CZ 3.41Å; R167-F169 HydrophobicContact CG-CE2 4.28Å; R167-F169 HydrophobicContact CG-CZ 4.37Å; R167-L194 HydrophobicContact CB-CD1 4.03Å; R167-L194 HydrophobicContact CG-CD1 4.13Å; R167-S196 WeakPolarHBondContact CA-O 3.11Å; R167-E197 HydrophobicContact CG-CB 4.24Å; R167-E197 HydrophobicContact CG-CG 3.99Å; R167-E197 IonicContact CZ-OE2 3.44Å; R167-E197 IonicContact NE-OE2 2.66Å; R167-E197 PolarHBondContact NE-OE2 3.29Å; R167-E197 IonicContact NH2-OE2 3.39Å; R167-E197 PolarHBondContact NH2-OE2 3.37Å
168V98.6Very high97.6Very high0 Ų034.3 Ų34.30%016%0.161CC..EExtended strand (participates in β ladder)trans-114.4123.6166.4-178.40000108.4L156 L157 W185 M195 S196 F212 L219L156-V168 HydrophobicContact CB-CG1 4.17Å; L156-V168 HydrophobicContact CD2-CG1 4.12Å; L157-V168 WeakPolarHBondContact O-CA 3.36Å; V168-W185 HydrophobicContact CG2-CE3 4.15Å; V168-W185 HydrophobicContact CG2-CH2 4.36Å; V168-W185 HydrophobicContact CG2-CZ3 3.99Å; V168-M195 HydrophobicContact CB-CB 4.17Å; V168-M195 HydrophobicContact CG1-CB 3.96Å; V168-M195 HydrophobicContact CG1-CG 4.3Å; V168-M195 WeakPolarHBondContact O-CB 3.34Å; V168-M195 PolarHBondContact O-N 3.34Å; V168-S196 PolarHBondContact N-O 2.75Å; V168-S196 PolarHBondContact O-N 3.48Å; V168-F212 HydrophobicContact CG1-CZ 3.97Å; V168-F212 HydrophobicContact CG2-CE1 4.44Å; V168-F212 HydrophobicContact CG2-CZ 3.97Å; V168-L219 HydrophobicContact CG2-CD2 3.49Å; V168-L219 VanDerWaalsContact CG2-CD2 3.49Å
169F98.8Very high97.4Very high0 Ų043.1 Ų43.10%020%0.199CC..EExtended strand (participates in β ladder)trans-113.9155.8175.3-65.8-79.4000111.4I120 I137 K139 I141 L156 L157 A159 R167 Q193 L194I120-F169 HydrophobicContact CD1-CD2 4.17Å; I120-F169 HydrophobicContact CD1-CE2 4.29Å; I137-F169 HydrophobicContact CD1-CB 4.01Å; I137-F169 HydrophobicContact CG2-CB 4.36Å; I137-F169 HydrophobicContact CG2-CD1 3.63Å; I137-F169 HydrophobicContact CG2-CD2 4.22Å; I137-F169 HydrophobicContact CG2-CE1 3.82Å; I137-F169 HydrophobicContact CG2-CE2 4.39Å; I137-F169 HydrophobicContact CG2-CG 3.82Å; I137-F169 HydrophobicContact CG2-CZ 4.19Å; K139-F169 WeakPolarHBondContact O-CE1 3.43Å; I141-F169 HydrophobicContact CD1-CE2 3.98Å; I141-F169 HydrophobicContact CD1-CZ 4.09Å; I141-F169 HydrophobicContact CG1-CE2 4.09Å; I141-F169 HydrophobicContact CG1-CZ 3.84Å; L156-F169 CarbonylContact C-O 3.46Å; L156-F169 WeakPolarHBondContact CA-O 3.43Å; L157-F169 PolarHBondContact N-O 2.85Å; L157-F169 PolarHBondContact O-N 2.89Å; A159-F169 HydrophobicContact CB-CE2 4.44Å; R167-F169 HydrophobicContact CB-CD2 4.11Å; R167-F169 HydrophobicContact CB-CE2 3.56Å; R167-F169 HydrophobicContact CB-CZ 4.03Å; R167-F169 VanDerWaalsContact CD-CZ 3.41Å; R167-F169 HydrophobicContact CG-CE2 4.28Å; R167-F169 HydrophobicContact CG-CZ 4.37Å; F169-Q193 CarbonylContact C-O 3.6Å; F169-Q193 VanDerWaalsContact CA-O 3.24Å; F169-Q193 WeakPolarHBondContact CA-O 3.25Å; F169-L194 HydrophobicContact CD1-CB 4.31Å; F169-L194 HydrophobicContact CD1-CD1 4.04Å; F169-L194 HydrophobicContact CE1-CB 4.16Å; F169-L194 HydrophobicContact CE1-CD1 3.64Å; F169-L194 HydrophobicContact CZ-CD1 3.98Å
170S98.6Very high97.3Very high0 Ų044.5 Ų44.50%021%0.208CC..EExtended strand (participates in β ladder)trans-82.6124.1157.7174.20000109.9Y172 M189 P190 G192 Q193S170-Y172 WeakPolarHBondContact OG-CB 3.47Å; S170-Y172 PolarHBondContact OG-N 3.26Å; S170-M189 PolarHBondContact OG-O 3.29Å; S170-P190 VanDerWaalsContact CB-O 3.24Å; S170-P190 WeakPolarHBondContact CB-O 3.5Å; S170-P190 PolarHBondContact OG-O 3.35Å; S170-G192 WeakPolarHBondContact O-CA 3.43Å; S170-G192 PolarHBondContact O-N 2.93Å; S170-Q193 PolarHBondContact N-O 3.41Å
171A98.6Very high97.1Very high0 Ų048.3 Ų48.30%024%0.24CC..  trans-107.232.516900000110.9K110 V122 I137 W150 V155 L157 I173K110-A171 PolarHBondContact NZ-O 2.92Å; V122-A171 HydrophobicContact CG1-CB 4.21Å; V122-A171 HydrophobicContact CG2-CB 3.83Å; I137-A171 HydrophobicContact CD1-CB 4.12Å; W150-A171 HydrophobicContact CH2-CB 3.55Å; W150-A171 HydrophobicContact CZ3-CB 3.61Å; V155-A171 PolarHBondContact O-N 2.67Å; L157-A171 HydrophobicContact CB-CB 4.19Å; L157-A171 HydrophobicContact CD2-CB 4.32Å; A171-I173 PolarHBondContact O-N 2.77Å
172Y98.5Very high97Very high48 Ų4852.5 Ų52.519%0.18827%0.269CS..  trans-60.7124.6178.5174.7-125.1000112.3V155 S170 K174 D177 E178 P180 M189 F191V155-Y172 HydrophobicContact CG2-CD2 4.25Å; S170-Y172 WeakPolarHBondContact OG-CB 3.47Å; S170-Y172 PolarHBondContact OG-N 3.26Å; Y172-K174 HydrophobicContact CE1-CB 4.21Å; Y172-D177 HydrophobicContact CD2-CB 3.74Å; Y172-D177 HydrophobicContact CE2-CB 3.74Å; Y172-E178 WeakPolarHBondContact CE2-O 3.35Å; Y172-P180 HydrophobicContact CD2-CG 4.42Å; Y172-M189 VanDerWaalsContact CB-O 3.31Å; Y172-M189 WeakPolarHBondContact CB-O 3.41Å; Y172-F191 WeakPolarHBondContact O-CB 3.5Å; Y172-F191 WeakPolarHBondContact O-CD2 3.3Å
173I98Very high97Very high0 Ų052.6 Ų52.60%027%0.269CS..  trans-118105.5176.1-54.6-65000107.7K110 V122 Y124 K135 A171 E175 V176 D177 F191K110-I173 HydrophobicContact CD-CG1 4.04Å; V122-I173 HydrophobicContact CG1-CD1 4.05Å; V122-I173 HydrophobicContact CG1-CG1 4.08Å; Y124-I173 HydrophobicContact CD1-CD1 4.26Å; Y124-I173 HydrophobicContact CD1-CG1 4.26Å; Y124-I173 HydrophobicContact CD1-CG2 3.69Å; Y124-I173 HydrophobicContact CD2-CG2 4.24Å; Y124-I173 HydrophobicContact CE1-CD1 4.36Å; Y124-I173 HydrophobicContact CE1-CG2 3.73Å; Y124-I173 HydrophobicContact CE2-CG2 4.28Å; Y124-I173 HydrophobicContact CG-CG2 3.96Å; K135-I173 HydrophobicContact CB-CD1 4.43Å; K135-I173 HydrophobicContact CD-CD1 3.92Å; A171-I173 PolarHBondContact O-N 2.77Å; I173-E175 HydrophobicContact CG2-CB 4.21Å; I173-E175 WeakPolarHBondContact CG2-OE2 3.37Å; I173-E175 PolarHBondContact O-N 3.15Å; I173-V176 HydrophobicContact CB-CG2 3.75Å; I173-V176 HydrophobicContact CG2-CG2 3.72Å; I173-V176 PolarHBondContact O-N 2.93Å; I173-V176 VanDerWaalsContact O-N 3.08Å; I173-D177 PolarHBondContact N-OD2 2.84Å; I173-D177 WeakPolarHBondContact O-CB 3.44Å; I173-D177 PolarHBondContact O-N 2.9Å; I173-F191 HydrophobicContact CD1-CD2 3.61Å; I173-F191 HydrophobicContact CD1-CE2 3.59Å
174K96.3Very high97Very high167 Ų16755.2 Ų55.273%0.72629%0.287SS*.THydrogen-bonded Turntrans-54.6-31.2-176.1-178.1-175.2173.9-168.60112.8Y172Y172-K174 HydrophobicContact CE1-CB 4.21Å
175E94.9Very high97Very high109 Ų10951.8 Ų51.851%0.50927%0.272SS..THydrogen-bonded Turntrans-71.8-26.4-176.6-58.586168.600113.4Y124 K135 I173Y124-E175 HydrophobicContact CE2-CB 4.24Å; K135-E175 IonicContact NZ-OE1 3.05Å; K135-E175 PolarHBondContact NZ-OE1 3.42Å; K135-E175 IonicContact NZ-OE2 2.89Å; K135-E175 PolarHBondContact NZ-OE2 2.82Å; I173-E175 HydrophobicContact CG2-CB 4.21Å; I173-E175 WeakPolarHBondContact CG2-OE2 3.37Å; I173-E175 PolarHBondContact O-N 3.15Å
176V96.5Very high96.9Very high46 Ų4651.6 Ų51.628%0.27928%0.278SS..THydrogen-bonded Turntrans-129.2-11.2-175.3-58.90000114.7N109 Y124 I173N109-V176 HydrophobicContact CB-CB 4.4Å; N109-V176 PolarHBondContact ND2-O 2.87Å; Y124-V176 HydrophobicContact CD2-CG1 3.77Å; Y124-V176 HydrophobicContact CG-CG1 4.3Å; Y124-V176 HydrophobicContact CG-CG2 4.39Å; I173-V176 HydrophobicContact CB-CG2 3.75Å; I173-V176 HydrophobicContact CG2-CG2 3.72Å; I173-V176 PolarHBondContact O-N 2.93Å; I173-V176 VanDerWaalsContact O-N 3.08Å
177D97Very high96.8Very high15 Ų1555.4 Ų55.48%0.0831%0.305CS..SBendtrans-108.9141.8178.3-63.3-49.2000111.4N109 K110 N154 Y172 I173N109-D177 PolarHBondContact ND2-OD1 3.35Å; K110-D177 IonicContact NZ-OD1 3Å; K110-D177 PolarHBondContact NZ-OD1 2.71Å; K110-D177 IonicContact NZ-OD2 3.79Å; K110-D177 PolarHBondContact NZ-OD2 2.84Å; N154-D177 PolarHBondContact ND2-OD1 2.67Å; Y172-D177 HydrophobicContact CD2-CB 3.74Å; Y172-D177 HydrophobicContact CE2-CB 3.74Å; I173-D177 PolarHBondContact N-OD2 2.84Å; I173-D177 WeakPolarHBondContact O-CB 3.44Å; I173-D177 PolarHBondContact O-N 2.9Å
178E95.5Very high96.7Very high179 Ų17963.4 Ų63.484%0.83634%0.339SS*.PPolyproline II helixtrans-64.5156162.2-64.6-175.3176.900111Y172 P180Y172-E178 WeakPolarHBondContact CE2-O 3.35Å; E178-P180 WeakPolarHBondContact O-CD 3.32Å; E178-P180 VanDerWaalsContact O-N 3.17Å
179K95.9Very high96.6Very high185 Ų18563.9 Ų63.980%0.80434%0.341SS*.PPolyproline II helixtrans-61.6120.2177.1-176.3179.4178.6-177.40109.2
180P95.4Very high96.6Very high31 Ų3167.1 Ų67.120%0.20136%0.363CS..PPolyproline II helixtrans-68.7139.7-174.426.6-34.8000111.7V155 Y172 E178 M189V155-P180 HydrophobicContact CB-CB 4.39Å; V155-P180 HydrophobicContact CG1-CB 4.35Å; V155-P180 HydrophobicContact CG1-CG 4.26Å; V155-P180 HydrophobicContact CG2-CB 4.1Å; V155-P180 HydrophobicContact CG2-CG 4.42Å; Y172-P180 HydrophobicContact CD2-CG 4.42Å; E178-P180 WeakPolarHBondContact O-CD 3.32Å; E178-P180 VanDerWaalsContact O-N 3.17Å; P180-M189 HydrophobicContact CB-CE 3.82Å; P180-M189 HydrophobicContact CB-SD 4.31Å; P180-M189 HydrophobicContact CG-CB 4.15Å; P180-M189 HydrophobicContact CG-CE 3.95Å; P180-M189 HydrophobicContact CG-SD 4.4Å
181A95.8Very high96.6Very high80 Ų8070.4 Ų70.466%0.66138%0.377SS*.PPolyproline II helixtrans-67.7155165.500000110.6M189A181-M189 WeakPolarHBondContact O-CE 3.38Å
182S96.1Very high96.5Very high89 Ų8971.5 Ų71.562%0.62239%0.388SS*.PPolyproline II helixtrans-60.9146.1175.4-66.40000111S187S182-S187 VanDerWaalsContact OG-CB 3.26Å; S182-S187 WeakPolarHBondContact OG-CB 3.35Å
183T96.5Very high96.5Very high26 Ų2673.4 Ų73.416%0.1640%0.399CS..BIsolated β-bridgetrans-124.6165.2177.7660000109.8L156 W185 G186 M189L156-T183 HydrophobicContact CD1-CG2 4.09Å; T183-W185 PolarHBondContact O-N 3.38Å; T183-W185 VanDerWaalsContact O-N 3.11Å; T183-W185 WeakPolarHBondContact OG1-CB 3.48Å; T183-W185 PolarHBondContact OG1-N 3.48Å; T183-G186 PolarHBondContact N-O 3.09Å; T183-G186 VanDerWaalsContact N-O 3.13Å; T183-G186 CarbonylContact O-C 3.58Å; T183-G186 PolarHBondContact O-N 3.24Å; T183-G186 PolarHBondContact OG1-O 3.35Å; T183-M189 HydrophobicContact CG2-CE 4.49Å
184P96.4Very high96.5Very high71 Ų7176.1 Ų76.146%0.46141%0.413SS..THydrogen-bonded Turntrans-56.5-23.2170.7-25.935.9000113.7G186 A233P184-G186 VanDerWaalsContact C-N 3.28Å; P184-G186 PolarHBondContact O-N 2.88Å; P184-A233 HydrophobicContact CB-CB 3.74Å; P184-A233 WeakPolarHBondContact CB-O 3.31Å
185W97.2Very high96.6Very high12 Ų1269.5 Ų69.55%0.04539%0.385CS..THydrogen-bonded Turntrans-73.5-16.8174.5-60.3100.3000114.1L156 V168 T183 M195 F198 F212 G216 L219 A231 A233 V237L156-W185 HydrophobicContact CD1-CB 3.89Å; L156-W185 HydrophobicContact CD1-CG 3.93Å; V168-W185 HydrophobicContact CG2-CE3 4.15Å; V168-W185 HydrophobicContact CG2-CH2 4.36Å; V168-W185 HydrophobicContact CG2-CZ3 3.99Å; T183-W185 PolarHBondContact O-N 3.38Å; T183-W185 VanDerWaalsContact O-N 3.11Å; T183-W185 WeakPolarHBondContact OG1-CB 3.48Å; T183-W185 PolarHBondContact OG1-N 3.48Å; W185-M195 WeakPolarHBondContact O-CE 3.21Å; W185-F198 HydrophobicContact CH2-CE2 4.41Å; W185-F198 HydrophobicContact CH2-CZ 4.35Å; W185-F198 HydrophobicContact CZ3-CE2 4.06Å; W185-F198 AromaticContact CZ3-CZ 3.84Å; W185-F198 HydrophobicContact CZ3-CZ 3.84Å; W185-F212 AromaticContact CE2-CE1 3.81Å; W185-F212 HydrophobicContact CZ2-CD1 4.42Å; W185-F212 AromaticContact CZ2-CE1 3.78Å; W185-F212 HydrophobicContact CZ2-CE1 3.78Å; W185-F212 AromaticContact NE1-CE1 3.8Å; W185-G216 PolarHBondContact NE1-O 2.73Å; W185-L219 HydrophobicContact CH2-CB 3.77Å; W185-L219 HydrophobicContact CH2-CD2 4.48Å; W185-L219 HydrophobicContact CZ2-CB 3.94Å; W185-A231 HydrophobicContact CH2-CB 4.28Å; W185-A233 HydrophobicContact CD2-CB 3.46Å; W185-A233 VanDerWaalsContact CD2-CB 3.46Å; W185-A233 VanDerWaalsContact CE2-CB 3.41Å; W185-A233 HydrophobicContact CE3-CB 3.78Å; W185-A233 HydrophobicContact CG-CB 3.94Å; W185-A233 HydrophobicContact CH2-CB 4.01Å; W185-A233 HydrophobicContact CZ2-CB 3.7Å; W185-A233 HydrophobicContact CZ3-CB 4.05Å; W185-V237 HydrophobicContact CZ3-CG1 4Å
186G95.1Very high96.7Very high25 Ų2565.1 Ų65.126%0.25837%0.366SS..BIsolated β-bridgetrans142166.5179.700000113.7T183 P184T183-G186 PolarHBondContact N-O 3.09Å; T183-G186 VanDerWaalsContact N-O 3.13Å; T183-G186 CarbonylContact O-C 3.58Å; T183-G186 PolarHBondContact O-N 3.24Å; T183-G186 PolarHBondContact OG1-O 3.35Å; P184-G186 VanDerWaalsContact C-N 3.28Å; P184-G186 PolarHBondContact O-N 2.88Å
187S95.1Very high96.7Very high80 Ų8066.1 Ų66.156%0.55937%0.368SS*.SBendtrans-101.7-28.8-175.456.80000114.3S182S182-S187 VanDerWaalsContact OG-CB 3.26Å; S182-S187 WeakPolarHBondContact OG-CB 3.35Å
188K96.1Very high96.6Very high168 Ų16866.3 Ų66.373%0.7337%0.368SS*.  trans-99110.7179.7-68-174.3179.8179.80110.4P190K188-P190 WeakPolarHBondContact O-CD 3.43Å
189M97.2Very high96.1Very high10 Ų1059.7 Ų59.75%0.04935%0.348CS..  trans-123.851.3-175.6-72.3172.6-82.400113.4V155 L156 S170 Y172 P180 A181 T183 M195V155-M189 HydrophobicContact CG1-CB 4.33Å; V155-M189 HydrophobicContact CG1-SD 4.28Å; L156-M189 HydrophobicContact CD1-SD 4.44Å; L156-M189 HydrophobicContact CD2-CG 4.14Å; L156-M189 HydrophobicContact CD2-SD 3.77Å; L156-M189 HydrophobicContact CG-SD 4.05Å; S170-M189 PolarHBondContact OG-O 3.29Å; Y172-M189 VanDerWaalsContact CB-O 3.31Å; Y172-M189 WeakPolarHBondContact CB-O 3.41Å; P180-M189 HydrophobicContact CB-CE 3.82Å; P180-M189 HydrophobicContact CB-SD 4.31Å; P180-M189 HydrophobicContact CG-CB 4.15Å; P180-M189 HydrophobicContact CG-CE 3.95Å; P180-M189 HydrophobicContact CG-SD 4.4Å; A181-M189 WeakPolarHBondContact O-CE 3.38Å; T183-M189 HydrophobicContact CG2-CE 4.49Å; M189-M195 HydrophobicContact CG-CE 3.62Å; M189-M195 HydrophobicContact CG-SD 3.94Å
190P97.6Very high94.6Very high69 Ų6953 Ų5345%0.44833%0.332SS..  trans-63.5156.817029.8-32.4000110.7S170 K188 G192 Q193S170-P190 VanDerWaalsContact CB-O 3.24Å; S170-P190 WeakPolarHBondContact CB-O 3.5Å; S170-P190 PolarHBondContact OG-O 3.35Å; K188-P190 WeakPolarHBondContact O-CD 3.43Å; P190-G192 PolarHBondContact O-N 2.58Å; P190-Q193 HydrophobicContact CG-CB 4.01Å; P190-Q193 VanDerWaalsContact O-CB 3.23Å; P190-Q193 WeakPolarHBondContact O-CB 3.37Å; P190-Q193 PolarHBondContact O-N 3.12Å; P190-Q193 VanDerWaalsContact O-N 3.09Å
191F98.4Very high92.5Very high68 Ų6857 Ų5730%0.29836%0.361SS..THydrogen-bonded Turntrans-53.4130.9-179.2-177.2-97.6000112.1V122 K135 H136 I137 Y172 I173 Q193V122-F191 HydrophobicContact CB-CE2 3.93Å; V122-F191 HydrophobicContact CB-CZ 4.27Å; V122-F191 HydrophobicContact CG1-CE2 4.35Å; V122-F191 HydrophobicContact CG2-CE2 3.9Å; V122-F191 HydrophobicContact CG2-CZ 4.19Å; K135-F191 HydrophobicContact CB-CE1 3.82Å; K135-F191 HydrophobicContact CB-CE2 4.01Å; K135-F191 HydrophobicContact CB-CZ 3.46Å; K135-F191 VanDerWaalsContact CB-CZ 3.46Å; H136-F191 WeakPolarHBondContact O-CE1 3.49Å; I137-F191 HydrophobicContact CD1-CE2 4.41Å; I137-F191 HydrophobicContact CD1-CZ 4.39Å; I137-F191 HydrophobicContact CG1-CE1 4.04Å; I137-F191 HydrophobicContact CG1-CE2 4.13Å; I137-F191 HydrophobicContact CG1-CZ 3.63Å; Y172-F191 WeakPolarHBondContact O-CB 3.5Å; Y172-F191 WeakPolarHBondContact O-CD2 3.3Å; I173-F191 HydrophobicContact CD1-CD2 3.61Å; I173-F191 HydrophobicContact CD1-CE2 3.59Å; F191-Q193 VanDerWaalsContact C-N 3.27Å; F191-Q193 PolarHBondContact O-N 2.97Å
192G98.1Very high90.7Very high23 Ų2356.7 Ų56.724%0.23737%0.365CS..THydrogen-bonded Turntrans78.51.8178.600000115.1S170 P190 L194S170-G192 WeakPolarHBondContact O-CA 3.43Å; S170-G192 PolarHBondContact O-N 2.93Å; P190-G192 PolarHBondContact O-N 2.58Å; G192-L194 PolarHBondContact O-N 3.45Å
193Q98.1Very high88.8Confident88 Ų8858.1 Ų58.141%0.41137%0.37SS..  trans-60.1127.6175.4-177.760.341.600110.4F169 S170 P190 F191 M195F169-Q193 CarbonylContact C-O 3.6Å; F169-Q193 VanDerWaalsContact CA-O 3.24Å; F169-Q193 WeakPolarHBondContact CA-O 3.25Å; S170-Q193 PolarHBondContact N-O 3.41Å; P190-Q193 HydrophobicContact CG-CB 4.01Å; P190-Q193 VanDerWaalsContact O-CB 3.23Å; P190-Q193 WeakPolarHBondContact O-CB 3.37Å; P190-Q193 PolarHBondContact O-N 3.12Å; P190-Q193 VanDerWaalsContact O-N 3.09Å; F191-Q193 VanDerWaalsContact C-N 3.27Å; F191-Q193 PolarHBondContact O-N 2.97Å; Q193-M195 HydrophobicContact CB-SD 4.08Å; Q193-M195 HydrophobicContact CG-SD 3.57Å; Q193-M195 VanDerWaalsContact CG-SD 3.57Å; Q193-M195 PolarHBondContact O-N 2.87Å
194L98.2Very high87.8Confident57 Ų5757.8 Ų57.830%0.29837%0.372SS..EExtended strand (participates in β ladder)trans-77.1118.3168-178.768.5000108.6P140 R167 F169 G192 S196 E197P140-L194 HydrophobicContact CG-CD2 3.98Å; R167-L194 HydrophobicContact CB-CD1 4.03Å; R167-L194 HydrophobicContact CG-CD1 4.13Å; F169-L194 HydrophobicContact CD1-CB 4.31Å; F169-L194 HydrophobicContact CD1-CD1 4.04Å; F169-L194 HydrophobicContact CE1-CB 4.16Å; F169-L194 HydrophobicContact CE1-CD1 3.64Å; F169-L194 HydrophobicContact CZ-CD1 3.98Å; G192-L194 PolarHBondContact O-N 3.45Å; L194-S196 WeakPolarHBondContact CD1-O 3.48Å; L194-E197 HydrophobicContact CD1-CB 4.37Å; L194-E197 HydrophobicContact CD2-CB 4.24Å
195M97.4Very high87.6Confident29 Ų2954.8 Ų54.814%0.14335%0.354CS..EExtended strand (participates in β ladder)trans-94.9-37.9-178.4-52.9-60.5-60.900111.1L156 V168 W185 M189 Q193L156-M195 HydrophobicContact CD2-CB 4.49Å; L156-M195 HydrophobicContact CD2-CE 4.38Å; L156-M195 HydrophobicContact CD2-CG 3.63Å; L156-M195 HydrophobicContact CD2-SD 4.4Å; V168-M195 HydrophobicContact CB-CB 4.17Å; V168-M195 HydrophobicContact CG1-CB 3.96Å; V168-M195 HydrophobicContact CG1-CG 4.3Å; V168-M195 WeakPolarHBondContact O-CB 3.34Å; V168-M195 PolarHBondContact O-N 3.34Å; W185-M195 WeakPolarHBondContact O-CE 3.21Å; M189-M195 HydrophobicContact CG-CE 3.62Å; M189-M195 HydrophobicContact CG-SD 3.94Å; Q193-M195 HydrophobicContact CB-SD 4.08Å; Q193-M195 HydrophobicContact CG-SD 3.57Å; Q193-M195 VanDerWaalsContact CG-SD 3.57Å; Q193-M195 PolarHBondContact O-N 2.87Å
196S97Very high87.6Confident16 Ų1659.9 Ų59.911%0.11237%0.373CS..EExtended strand (participates in β ladder)trans-155.3149.1175.5-64.90000110.6R167 V168 L194R167-S196 WeakPolarHBondContact CA-O 3.11Å; V168-S196 PolarHBondContact N-O 2.75Å; V168-S196 PolarHBondContact O-N 3.48Å; L194-S196 WeakPolarHBondContact CD1-O 3.48Å
197E96.3Very high87.8Confident68 Ų6858.8 Ų58.832%0.31836%0.361SS..EExtended strand (participates in β ladder)trans-135.3130.4171.9178.7177.2112.900109.1K165 R167 L194K165-E197 HydrophobicContact CB-CG 4.4Å; K165-E197 HydrophobicContact CD-CG 3.95Å; K165-E197 WeakPolarHBondContact CE-OE1 3.49Å; K165-E197 HydrophobicContact CG-CG 4.35Å; K165-E197 IonicContact NZ-OE1 3.61Å; K165-E197 PolarHBondContact NZ-OE1 2.99Å; R167-E197 HydrophobicContact CG-CB 4.24Å; R167-E197 HydrophobicContact CG-CG 3.99Å; R167-E197 IonicContact CZ-OE2 3.44Å; R167-E197 IonicContact NE-OE2 2.66Å; R167-E197 PolarHBondContact NE-OE2 3.29Å; R167-E197 IonicContact NH2-OE2 3.39Å; R167-E197 PolarHBondContact NH2-OE2 3.37Å; L194-E197 HydrophobicContact CD1-CB 4.37Å; L194-E197 HydrophobicContact CD2-CB 4.24Å
198F94.9Very high87.9Confident19 Ų1956.6 Ų56.68%0.08334%0.342CS..EExtended strand (participates in β ladder)trans-122.5158.5179.7-50.7-67.7000110.9K165 C166 W185 L219 W221 A231 V237 V239K165-F198 VanDerWaalsContact CA-O 3.28Å; K165-F198 WeakPolarHBondContact CA-O 3.46Å; K165-F198 WeakPolarHBondContact CD-O 3.25Å; C166-F198 HydrophobicContact CB-CB 4.32Å; C166-F198 HydrophobicContact CB-CD2 4.36Å; C166-F198 PolarHBondContact N-O 2.91Å; C166-F198 VanDerWaalsContact N-O 3.14Å; C166-F198 PolarHBondContact O-N 3.25Å; W185-F198 HydrophobicContact CH2-CE2 4.41Å; W185-F198 HydrophobicContact CH2-CZ 4.35Å; W185-F198 HydrophobicContact CZ3-CE2 4.06Å; W185-F198 AromaticContact CZ3-CZ 3.84Å; W185-F198 HydrophobicContact CZ3-CZ 3.84Å; F198-L219 HydrophobicContact CE2-CD2 4.18Å; F198-W221 HydrophobicContact CB-CH2 3.72Å; F198-W221 HydrophobicContact CB-CZ2 3.67Å; F198-W221 HydrophobicContact CB-CZ3 4.48Å; F198-W221 HydrophobicContact CD1-CH2 4.24Å; F198-W221 AromaticContact CD2-CH2 3.98Å; F198-W221 HydrophobicContact CD2-CH2 3.98Å; F198-W221 AromaticContact CD2-CZ3 3.99Å; F198-W221 HydrophobicContact CD2-CZ3 3.99Å; F198-W221 HydrophobicContact CE2-CZ3 4.47Å; F198-W221 AromaticContact CG-CH2 3.71Å; F198-W221 HydrophobicContact CG-CH2 3.71Å; F198-W221 HydrophobicContact CG-CZ2 4.2Å; F198-W221 HydrophobicContact CG-CZ3 4.21Å; F198-A231 HydrophobicContact CD2-CB 4.49Å; F198-A231 HydrophobicContact CE1-CB 3.85Å; F198-A231 HydrophobicContact CE2-CB 3.84Å; F198-A231 HydrophobicContact CZ-CB 3.46Å; F198-A231 VanDerWaalsContact CZ-CB 3.46Å; F198-V237 HydrophobicContact CE1-CG1 3.43Å; F198-V237 VanDerWaalsContact CE1-CG1 3.43Å; F198-V237 HydrophobicContact CZ-CG1 3.31Å; F198-V239 HydrophobicContact CD1-CG2 3.61Å; F198-V239 HydrophobicContact CE1-CG2 3.74Å
199G84.8Confident88Confident39 Ų3948.9 Ų48.940%0.40231%0.31SS..EExtended strand (participates in β ladder)trans85-175.817700000113.9K165K165-G199 WeakPolarHBondContact CD-O 3.41Å; K165-G199 VanDerWaalsContact CE-O 3.32Å; K165-G199 WeakPolarHBondContact CE-O 3.45Å; K165-G199 PolarHBondContact NZ-O 2.83Å
200G64.8Low88.1Confident46 Ų4648.9 Ų48.947%0.47431%0.311SS..  trans84.74.1-178.800000116.4F164F164-G200 PolarHBondContact O-N 3.14Å
201S50.6Low88.1Confident115 Ų11545.7 Ų45.780%0.80429%0.29SS*.SBendtrans-101.6112.3169.351.70000109.8
202G58.6Low88.1Confident73 Ų7342.5 Ų42.575%0.75328%0.276SS*.SBendtrans106.9-157.1179.200000114.5G204G202-G204 PolarHBondContact O-N 2.87Å
203T55.9Low88.1Confident119 Ų11941.4 Ų41.473%0.7327%0.265SS*.SBendtrans-73.134.3-177.157.60000113.8
204G75.7Confident88.1Confident19 Ų1938.6 Ų38.620%0.19626%0.257CS..  trans-43.8140.8-156.100000116.8F164 G202F164-G204 WeakPolarHBondContact CD1-O 3.27Å; F164-G204 WeakPolarHBondContact CE1-O 3.38Å; G202-G204 PolarHBondContact O-N 2.87Å
205G93.1Very high88Confident8 Ų838.4 Ų38.48%0.08226%0.26CS..  trans-97.2156174.800000113.9F164 V207 D225F164-G205 WeakPolarHBondContact CA-O 3.35Å; F164-G205 VanDerWaalsContact CD1-C 3.41Å; F164-G205 WeakPolarHBondContact CD1-O 3.34Å; G205-V207 PolarHBondContact O-N 3.44Å; G205-D225 PolarHBondContact N-OD2 2.84Å
206W97Very high88Confident119 Ų11937 Ų3745%0.45125%0.253SS..  trans-58.7133.6171.7-56.2-36.7000110.2L146 C162 F164 H208 S223 H224L146-W206 HydrophobicContact CD1-CB 3.99Å; C162-W206 HydrophobicContact CB-CG 4.31Å; F164-W206 AromaticContact CD1-CD1 3.78Å; F164-W206 AromaticContact CE1-CD1 3.38Å; F164-W206 HydrophobicContact CE1-CG 4.44Å; F164-W206 AromaticContact CE1-NE1 3.66Å; W206-H208 PolarHBondContact O-N 3.39Å; W206-S223 CarbonylContact O-C 3.51Å; W206-S223 VanDerWaalsContact O-CA 3.25Å; W206-S223 WeakPolarHBondContact O-CA 3.23Å; W206-H224 HydrophobicContact CB-CB 4.24Å; W206-H224 PolarHBondContact O-N 2.79Å
207V97.8Very high88Confident1 Ų137.6 Ų37.61%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-83.7103.3179.1-177.20000108.9G160 S161 K165 C166 G205 V210 W221 V222G160-V207 CarbonylContact C-O 3.53Å; S161-V207 PolarHBondContact O-N 2.94Å; K165-V207 WeakPolarHBondContact O-CG2 3.17Å; C166-V207 HydrophobicContact CB-CG1 4.33Å; G205-V207 PolarHBondContact O-N 3.44Å; V207-V210 HydrophobicContact CG1-CG1 3.88Å; V207-W221 HydrophobicContact CG1-CB 3.88Å; V207-W221 HydrophobicContact CG1-CG 4.2Å; V207-V222 CarbonylContact C-O 3.56Å
208H98.4Very high88Confident34 Ų3435.3 Ų35.316%0.15725%0.246CC..EExtended strand (participates in β ladder)trans-80.4-48.6-172.7-72.6-65.3000112.4S147 W206 V222 H224 L250S147-H208 WeakPolarHBondContact CB-O 3.18Å; S147-H208 PolarHBondContact OG-O 3.02Å; W206-H208 PolarHBondContact O-N 3.39Å; H208-V222 PolarHBondContact N-O 2.9Å; H208-H224 AromaticContact CD2-ND1 3.87Å; H208-H224 WeakPolarHBondContact NE2-CB 3.33Å; H208-H224 AromaticContact NE2-CG 3.49Å; H208-H224 AromaticContact NE2-ND1 3.02Å; H208-H224 PolarHBondContact NE2-ND1 3.14Å; H208-L250 CarbonylContact C-O 3.48Å; H208-L250 HydrophobicContact CB-CD2 4.36Å; H208-L250 VanDerWaalsContact CB-O 3.3Å; H208-L250 WeakPolarHBondContact CB-O 3.31Å
209G98.3Very high88.2Confident6 Ų634.4 Ų34.46%0.06224%0.242CC..EExtended strand (participates in β ladder)trans-126.2145.5-177.800000112.3S147 W221 V222 L250S147-G209 WeakPolarHBondContact OG-CA 3.2Å; G209-W221 WeakPolarHBondContact O-CA 3.11Å; G209-W221 WeakPolarHBondContact O-CB 3.34Å; G209-V222 PolarHBondContact O-N 2.82Å; G209-L250 PolarHBondContact N-O 3.01Å
210V98.7Very high88.8Confident10 Ų1032.6 Ų32.66%0.06122%0.223CC..EExtended strand (participates in β ladder)trans-133.7147.6173.1-61.10000109.8D149 A158 V207 L219 A220 W221D149-V210 HydrophobicContact CB-CG2 4.15Å; A158-V210 HydrophobicContact CB-CB 4.34Å; A158-V210 HydrophobicContact CB-CG2 4.05Å; V207-V210 HydrophobicContact CG1-CG1 3.88Å; V210-L219 HydrophobicContact CB-CD1 4.37Å; V210-A220 CarbonylContact C-O 3.48Å; V210-A220 VanDerWaalsContact CA-O 3.31Å; V210-A220 WeakPolarHBondContact CA-O 3.26Å; V210-W221 HydrophobicContact CG1-CB 3.91Å
211S98.7Very high90.4Very high3 Ų330.9 Ų30.92%0.02120%0.202CC..EExtended strand (participates in β ladder)trans-152.2125.6176.5-164.40000112.2D149 L219 A220 F254 K337D149-S211 VanDerWaalsContact OD2-CA 3.25Å; D149-S211 WeakPolarHBondContact OD2-CA 3.2Å; S211-L219 WeakPolarHBondContact O-CD1 3.34Å; S211-A220 PolarHBondContact N-O 2.95Å; S211-A220 PolarHBondContact O-N 3.4Å; S211-F254 VanDerWaalsContact O-CD2 3.32Å; S211-F254 WeakPolarHBondContact O-CD2 3.49Å; S211-F254 WeakPolarHBondContact O-CE2 3.27Å; S211-F254 PolarHBondContact OG-N 3.44Å; S211-K337 PolarHBondContact OG-NZ 3.22Å
212F98.6Very high92.7Very high0 Ų025.4 Ų25.40%016%0.164CC..EExtended strand (participates in β ladder)trans-74.4147.7165-82.4-69.9000111D149 H151 A158 V168 W185 R218 L219 F254 K337D149-F212 PolarHBondContact OD2-N 3.15Å; H151-F212 HydrophobicContact CB-CD2 3.92Å; H151-F212 HydrophobicContact CB-CE1 4.49Å; H151-F212 HydrophobicContact CB-CE2 3.76Å; H151-F212 HydrophobicContact CB-CG 4.32Å; H151-F212 HydrophobicContact CB-CZ 4.08Å; H151-F212 AromaticContact CD2-CD1 3.96Å; H151-F212 AromaticContact CD2-CE1 3.9Å; A158-F212 HydrophobicContact CB-CD2 3.96Å; A158-F212 HydrophobicContact CB-CE2 3.46Å; A158-F212 VanDerWaalsContact CB-CE2 3.46Å; A158-F212 HydrophobicContact CB-CZ 3.99Å; V168-F212 HydrophobicContact CG1-CZ 3.97Å; V168-F212 HydrophobicContact CG2-CE1 4.44Å; V168-F212 HydrophobicContact CG2-CZ 3.97Å; W185-F212 AromaticContact CE2-CE1 3.81Å; W185-F212 HydrophobicContact CZ2-CD1 4.42Å; W185-F212 AromaticContact CZ2-CE1 3.78Å; W185-F212 HydrophobicContact CZ2-CE1 3.78Å; W185-F212 AromaticContact NE1-CE1 3.8Å; F212-R218 WeakPolarHBondContact CA-O 3.41Å; F212-R218 WeakPolarHBondContact CD1-O 3.37Å; F212-L219 HydrophobicContact CD1-CB 4.24Å; F212-L219 HydrophobicContact CD1-CD1 4.3Å; F212-L219 HydrophobicContact CE1-CB 4.19Å; F212-L219 HydrophobicContact CE1-CD1 4.41Å; F212-L219 HydrophobicContact CG-CD1 4.35Å; F212-F254 VanDerWaalsContact C-CD2 3.4Å; F212-F254 WeakPolarHBondContact O-CD2 3.27Å; F212-K337 WeakPolarHBondContact O-CD 3.23Å; F212-K337 PolarHBondContact O-NZ 2.96Å
213S97.9Very high94.5Very high1 Ų122.2 Ų22.21%0.00713%0.13CC..  trans-67.2169.5166.972.70000111.3S215 G216 R218 F254 E257S213-S215 VanDerWaalsContact C-N 3.33Å; S213-S215 PolarHBondContact O-N 3.27Å; S213-S215 PolarHBondContact OG-OG 2.83Å; S213-G216 WeakPolarHBondContact O-CA 3.38Å; S213-G216 PolarHBondContact O-N 2.66Å; S213-G216 PolarHBondContact OG-N 3.39Å; S213-R218 PolarHBondContact N-O 3.41Å; S213-R218 PolarHBondContact OG-N 2.88Å; S213-F254 VanDerWaalsContact N-CD2 3.33Å; S213-E257 PolarHBondContact OG-OE2 3.28Å; S213-E257 VanDerWaalsContact OG-OE2 3.12Å
214A96.8Very high96.5Very high28 Ų2820 Ų2023%0.23111%0.111CC..SBendtrans-65.4-37.2-178.200000112.1P152 G216 E257 K337 Q338P152-A214 WeakPolarHBondContact CG-O 3.42Å; A214-G216 PolarHBondContact O-N 3.01Å; A214-E257 VanDerWaalsContact CA-OE1 3.26Å; A214-E257 WeakPolarHBondContact CA-OE1 3.26Å; A214-E257 WeakPolarHBondContact CB-OE1 3.42Å; A214-E257 PolarHBondContact N-OE1 3.12Å; A214-K337 HydrophobicContact CB-CB 3.81Å; A214-Q338 HydrophobicContact CB-CB 3.9Å
215S96.7Very high97.4Very high53 Ų5320.9 Ų20.937%0.37111%0.111SC..SBendtrans-70.4-20.6171.372.40000113S213 S217 E257S213-S215 VanDerWaalsContact C-N 3.33Å; S213-S215 PolarHBondContact O-N 3.27Å; S213-S215 PolarHBondContact OG-OG 2.83Å; S215-S217 PolarHBondContact O-N 3Å; S215-S217 WeakPolarHBondContact OG-CB 3.42Å; S215-S217 PolarHBondContact OG-N 3.41Å; S215-S217 PolarHBondContact OG-OG 3.29Å; S215-E257 VanDerWaalsContact CB-OE2 3.28Å; S215-E257 WeakPolarHBondContact CB-OE2 3.37Å; S215-E257 PolarHBondContact N-OE1 2.87Å; S215-E257 PolarHBondContact OG-OE2 2.68Å
216G97.4Very high97.5Very high0 Ų021.3 Ų21.30%011%0.113CC..SBendtrans76.5-0.8-174.200000114.3H151 W185 S213 A214 R218H151-G216 VanDerWaalsContact CD2-CA 3.48Å; H151-G216 WeakPolarHBondContact CD2-CA 2.9Å; H151-G216 PolarHBondContact CD2-O 2.86Å; H151-G216 WeakPolarHBondContact NE2-CA 3.39Å; H151-G216 PolarHBondContact NE2-O 2.75Å; W185-G216 PolarHBondContact NE1-O 2.73Å; S213-G216 WeakPolarHBondContact O-CA 3.38Å; S213-G216 PolarHBondContact O-N 2.66Å; S213-G216 PolarHBondContact OG-N 3.39Å; A214-G216 PolarHBondContact O-N 3.01Å; G216-R218 PolarHBondContact O-N 2.97Å
217S96.7Very high97.5Very high28 Ų2816.4 Ų16.420%0.19610%0.096CC..SBendtrans-72.7-19.4-178.9-56.10000113S215 A233S215-S217 PolarHBondContact O-N 3Å; S215-S217 WeakPolarHBondContact OG-CB 3.42Å; S215-S217 PolarHBondContact OG-N 3.41Å; S215-S217 PolarHBondContact OG-OG 3.29Å; S217-A233 WeakPolarHBondContact O-CB 3.19Å; S217-A233 PolarHBondContact O-N 2.84Å
218R97.6Very high97.5Very high21 Ų2116.3 Ų16.38%0.07910%0.096CC..EExtended strand (participates in β ladder)trans-123.1149.8-178.5-59.4177.5-178.7165.5-0.1111.6F212 S213 G216 V230 A231 D232 F254 E257 N258 D276F212-R218 WeakPolarHBondContact CA-O 3.41Å; F212-R218 WeakPolarHBondContact CD1-O 3.37Å; S213-R218 PolarHBondContact N-O 3.41Å; S213-R218 PolarHBondContact OG-N 2.88Å; G216-R218 PolarHBondContact O-N 2.97Å; R218-V230 HydrophobicContact CB-CG1 4.37Å; R218-A231 CarbonylContact C-O 3.54Å; R218-A231 VanDerWaalsContact CA-O 3.23Å; R218-A231 WeakPolarHBondContact CA-O 3.35Å; R218-D232 HydrophobicContact CG-CB 4.1Å; R218-D232 IonicContact CZ-OD2 3.48Å; R218-D232 IonicContact NE-OD2 3.89Å; R218-D232 PolarHBondContact NE-OD2 2.87Å; R218-D232 IonicContact NH2-OD2 3.92Å; R218-F254 HydrophobicContact CB-CE2 4.47Å; R218-F254 HydrophobicContact CB-CZ 3.9Å; R218-E257 PolarHBondContact NH1-O 3.08Å; R218-N258 PolarHBondContact NH1-OD1 2.95Å; R218-D276 IonicContact NH2-OD1 2.67Å
219L98.3Very high97.4Very high0 Ų014.9 Ų14.90%09%0.09CC..EExtended strand (participates in β ladder)trans-130.8123176.4175.960.4000109.7A158 V168 W185 F198 V210 S211 F212 W221 V230 A231A158-L219 HydrophobicContact CB-CD1 3.56Å; A158-L219 HydrophobicContact CB-CD2 4.04Å; A158-L219 HydrophobicContact CB-CG 4.48Å; V168-L219 HydrophobicContact CG2-CD2 3.49Å; V168-L219 VanDerWaalsContact CG2-CD2 3.49Å; W185-L219 HydrophobicContact CH2-CB 3.77Å; W185-L219 HydrophobicContact CH2-CD2 4.48Å; W185-L219 HydrophobicContact CZ2-CB 3.94Å; F198-L219 HydrophobicContact CE2-CD2 4.18Å; V210-L219 HydrophobicContact CB-CD1 4.37Å; S211-L219 WeakPolarHBondContact O-CD1 3.34Å; F212-L219 HydrophobicContact CD1-CB 4.24Å; F212-L219 HydrophobicContact CD1-CD1 4.3Å; F212-L219 HydrophobicContact CE1-CB 4.19Å; F212-L219 HydrophobicContact CE1-CD1 4.41Å; F212-L219 HydrophobicContact CG-CD1 4.35Å; L219-W221 HydrophobicContact CG-CE3 4.38Å; L219-V230 CarbonylContact O-C 3.55Å; L219-V230 WeakPolarHBondContact O-CA 3.49Å; L219-A231 PolarHBondContact N-O 2.87Å; L219-A231 PolarHBondContact O-N 3.28Å
220A98.3Very high97.3Very high0 Ų014.6 Ų14.60%09%0.087CC..EExtended strand (participates in β ladder)trans-103.1147.5173.900000110.5V210 S211 S229 V230 V252 F254 V260V210-A220 CarbonylContact C-O 3.48Å; V210-A220 VanDerWaalsContact CA-O 3.31Å; V210-A220 WeakPolarHBondContact CA-O 3.26Å; S211-A220 PolarHBondContact N-O 2.95Å; S211-A220 PolarHBondContact O-N 3.4Å; A220-S229 CarbonylContact C-O 3.55Å; A220-S229 WeakPolarHBondContact CA-O 3.29Å; A220-V230 HydrophobicContact CB-CG2 4Å; A220-V252 HydrophobicContact CB-CG2 4.26Å; A220-F254 HydrophobicContact CB-CD2 4.13Å; A220-F254 HydrophobicContact CB-CE2 3.45Å; A220-F254 VanDerWaalsContact CB-CE2 3.45Å; A220-F254 HydrophobicContact CB-CZ 3.86Å; A220-V260 HydrophobicContact CB-CG1 3.88Å
221W98.4Very high97.3Very high10 Ų1014.1 Ų14.14%0.0388%0.084CC..EExtended strand (participates in β ladder)trans-147.9157.7170.368.594.3000112.4C166 F198 V207 G209 V210 L219 S229 A231 V239C166-W221 HydrophobicContact CB-CB 4.31Å; C166-W221 HydrophobicContact CB-CD2 3.79Å; C166-W221 HydrophobicContact CB-CE3 4.24Å; C166-W221 HydrophobicContact CB-CG 3.83Å; F198-W221 HydrophobicContact CB-CH2 3.72Å; F198-W221 HydrophobicContact CB-CZ2 3.67Å; F198-W221 HydrophobicContact CB-CZ3 4.48Å; F198-W221 HydrophobicContact CD1-CH2 4.24Å; F198-W221 AromaticContact CD2-CH2 3.98Å; F198-W221 HydrophobicContact CD2-CH2 3.98Å; F198-W221 AromaticContact CD2-CZ3 3.99Å; F198-W221 HydrophobicContact CD2-CZ3 3.99Å; F198-W221 HydrophobicContact CE2-CZ3 4.47Å; F198-W221 AromaticContact CG-CH2 3.71Å; F198-W221 HydrophobicContact CG-CH2 3.71Å; F198-W221 HydrophobicContact CG-CZ2 4.2Å; F198-W221 HydrophobicContact CG-CZ3 4.21Å; V207-W221 HydrophobicContact CG1-CB 3.88Å; V207-W221 HydrophobicContact CG1-CG 4.2Å; G209-W221 WeakPolarHBondContact O-CA 3.11Å; G209-W221 WeakPolarHBondContact O-CB 3.34Å; V210-W221 HydrophobicContact CG1-CB 3.91Å; L219-W221 HydrophobicContact CG-CE3 4.38Å; W221-S229 PolarHBondContact N-O 2.99Å; W221-S229 PolarHBondContact O-N 2.86Å; W221-A231 HydrophobicContact CH2-CB 4.13Å; W221-A231 HydrophobicContact CZ3-CB 3.74Å; W221-V239 HydrophobicContact CH2-CG1 3.71Å; W221-V239 HydrophobicContact CH2-CG2 4.27Å; W221-V239 HydrophobicContact CZ2-CG1 4.08Å
222V98Very high97.2Very high0 Ų014 Ų140%08%0.083CC..EExtended strand (participates in β ladder)trans-123.7139.7175.6-66.70000110.8V207 H208 G209 T227 V228 L249 V252 A262V207-V222 CarbonylContact C-O 3.56Å; H208-V222 PolarHBondContact N-O 2.9Å; G209-V222 PolarHBondContact O-N 2.82Å; V222-T227 WeakPolarHBondContact CA-O 3.47Å; V222-V228 HydrophobicContact CG1-CB 4.43Å; V222-V228 HydrophobicContact CG1-CG1 4.14Å; V222-V228 HydrophobicContact CG1-CG2 4.07Å; V222-L249 HydrophobicContact CB-CB 3.82Å; V222-L249 HydrophobicContact CG1-CB 3.89Å; V222-L249 HydrophobicContact CG1-CD1 4.04Å; V222-L249 HydrophobicContact CG2-CB 4.09Å; V222-V252 HydrophobicContact CG1-CB 3.87Å; V222-V252 HydrophobicContact CG1-CG1 4.24Å; V222-V252 HydrophobicContact CG1-CG2 4.31Å; V222-V252 HydrophobicContact CG2-CB 4.24Å; V222-V252 HydrophobicContact CG2-CG1 4.15Å; V222-A262 HydrophobicContact CG1-CB 4.07Å
223S97.3Very high97Very high6 Ų614.2 Ų14.24%0.0429%0.085CC..EExtended strand (participates in β ladder)trans-125157.5-174.2-51.20000112.1W206 D225 S226 T227W206-S223 CarbonylContact O-C 3.51Å; W206-S223 VanDerWaalsContact O-CA 3.25Å; W206-S223 WeakPolarHBondContact O-CA 3.23Å; S223-D225 VanDerWaalsContact CB-OD1 3.24Å; S223-D225 WeakPolarHBondContact CB-OD1 3.43Å; S223-D225 PolarHBondContact O-N 2.85Å; S223-S226 PolarHBondContact O-N 3.04Å; S223-T227 PolarHBondContact N-O 2.86Å; S223-T227 VanDerWaalsContact N-O 3.12Å
224H96.5Very high96.8Very high73 Ų7317.8 Ų17.834%0.33811%0.11SC..THydrogen-bonded Turntrans-66.7-5.6-177.2-156.563.3000114.8W206 H208 S226 P248W206-H224 HydrophobicContact CB-CB 4.24Å; W206-H224 PolarHBondContact O-N 2.79Å; H208-H224 AromaticContact CD2-ND1 3.87Å; H208-H224 WeakPolarHBondContact NE2-CB 3.33Å; H208-H224 AromaticContact NE2-CG 3.49Å; H208-H224 AromaticContact NE2-ND1 3.02Å; H208-H224 PolarHBondContact NE2-ND1 3.14Å; H224-S226 VanDerWaalsContact C-N 3.27Å; H224-S226 PolarHBondContact O-N 2.89Å; H224-P248 VanDerWaalsContact O-CG 3.29Å; H224-P248 WeakPolarHBondContact O-CG 3.48Å
225D94.9Very high96.5Very high37 Ų3719 Ų1920%0.19811%0.11CC..THydrogen-bonded Turntrans-91.620.3176.756.712.4000113G205 S223 T227G205-D225 PolarHBondContact N-OD2 2.84Å; S223-D225 VanDerWaalsContact CB-OD1 3.24Å; S223-D225 WeakPolarHBondContact CB-OD1 3.43Å; S223-D225 PolarHBondContact O-N 2.85Å; D225-T227 WeakPolarHBondContact OD1-CB 3.42Å; D225-T227 VanDerWaalsContact OD1-CG2 3.31Å; D225-T227 WeakPolarHBondContact OD1-CG2 3.42Å; D225-T227 PolarHBondContact OD1-N 2.81Å; D225-T227 PolarHBondContact OD1-OG1 2.82Å
226S96.1Very high96.2Very high18 Ų1822 Ų2213%0.12613%0.131CC..THydrogen-bonded Turntrans57.744.5-176.8-63.50000113S223 H224 T244 F246S223-S226 PolarHBondContact O-N 3.04Å; H224-S226 VanDerWaalsContact C-N 3.27Å; H224-S226 PolarHBondContact O-N 2.89Å; S226-T244 PolarHBondContact O-N 3.01Å; S226-T244 PolarHBondContact O-OG1 2.86Å; S226-F246 VanDerWaalsContact CB-O 3.28Å; S226-F246 WeakPolarHBondContact CB-O 3.47Å; S226-F246 PolarHBondContact OG-O 2.69Å
227T96.2Very high95.8Very high15 Ų1524.1 Ų24.19%0.09214%0.144CC..EExtended strand (participates in β ladder)trans-117.4143.6174.3650000112.4V222 S223 D225 T241 L242 R243V222-T227 WeakPolarHBondContact CA-O 3.47Å; S223-T227 PolarHBondContact N-O 2.86Å; S223-T227 VanDerWaalsContact N-O 3.12Å; D225-T227 WeakPolarHBondContact OD1-CB 3.42Å; D225-T227 VanDerWaalsContact OD1-CG2 3.31Å; D225-T227 WeakPolarHBondContact OD1-CG2 3.42Å; D225-T227 PolarHBondContact OD1-N 2.81Å; D225-T227 PolarHBondContact OD1-OG1 2.82Å; T227-T241 HydrophobicContact CG2-CG2 4.14Å; T227-L242 WeakPolarHBondContact CA-O 3.44Å; T227-R243 HydrophobicContact CG2-CB 4.2Å; T227-R243 HydrophobicContact CG2-CG 4.28Å
228V97.1Very high95.5Very high0 Ų028.1 Ų28.10%016%0.16CC..EExtended strand (participates in β ladder)trans-112134.5163.8-169.40000106.9V222 T241 L242 T244 L249 V260 F272 L280V222-V228 HydrophobicContact CG1-CB 4.43Å; V222-V228 HydrophobicContact CG1-CG1 4.14Å; V222-V228 HydrophobicContact CG1-CG2 4.07Å; V228-T241 WeakPolarHBondContact O-CA 3.44Å; V228-L242 PolarHBondContact N-O 3.01Å; V228-L242 PolarHBondContact O-N 2.71Å; V228-T244 HydrophobicContact CG2-CG2 4.41Å; V228-L249 HydrophobicContact CG2-CD1 3.4Å; V228-V260 HydrophobicContact CG1-CG2 4.5Å; V228-F272 HydrophobicContact CG2-CD1 4.29Å; V228-F272 HydrophobicContact CG2-CD2 4.41Å; V228-F272 HydrophobicContact CG2-CE1 3.82Å; V228-F272 HydrophobicContact CG2-CE2 3.99Å; V228-F272 HydrophobicContact CG2-CZ 3.67Å; V228-L280 HydrophobicContact CB-CD2 4.05Å; V228-L280 HydrophobicContact CG1-CD2 3.98Å; V228-L280 VanDerWaalsContact O-CD2 3.25Å; V228-L280 WeakPolarHBondContact O-CD2 3.38Å
229S97.1Very high95.4Very high3 Ų330.4 Ų30.42%0.02118%0.176CC..EExtended strand (participates in β ladder)trans-133.5149.6178.9-61.60000111.2A220 W221 S240 T241A220-S229 CarbonylContact C-O 3.55Å; A220-S229 WeakPolarHBondContact CA-O 3.29Å; W221-S229 PolarHBondContact N-O 2.99Å; W221-S229 PolarHBondContact O-N 2.86Å; S229-S240 CarbonylContact C-O 3.54Å; S229-S240 VanDerWaalsContact CA-O 3.23Å; S229-S240 WeakPolarHBondContact CA-O 3.32Å; S229-T241 WeakPolarHBondContact OG-CB 3.28Å; S229-T241 WeakPolarHBondContact OG-CG2 3.12Å; S229-T241 PolarHBondContact OG-OG1 3.29Å
230V97.3Very high95.3Very high0 Ų031.5 Ų31.50%018%0.183CC..EExtended strand (participates in β ladder)trans-131.6130.2173.5177.40000109R218 L219 A220 V239 S240 F254 Y274 L280R218-V230 HydrophobicContact CB-CG1 4.37Å; L219-V230 CarbonylContact O-C 3.55Å; L219-V230 WeakPolarHBondContact O-CA 3.49Å; A220-V230 HydrophobicContact CB-CG2 4Å; V230-V239 WeakPolarHBondContact O-CA 3.45Å; V230-S240 PolarHBondContact N-O 2.97Å; V230-S240 PolarHBondContact O-N 3.42Å; V230-F254 HydrophobicContact CG1-CZ 4.32Å; V230-Y274 HydrophobicContact CB-CD2 3.83Å; V230-Y274 HydrophobicContact CB-CE2 4.15Å; V230-Y274 HydrophobicContact CB-CG 4.27Å; V230-Y274 HydrophobicContact CG1-CD1 4.17Å; V230-Y274 HydrophobicContact CG1-CD2 3.82Å; V230-Y274 HydrophobicContact CG1-CE1 4.35Å; V230-Y274 HydrophobicContact CG1-CE2 4.01Å; V230-Y274 HydrophobicContact CG1-CG 3.89Å; V230-Y274 HydrophobicContact CG2-CD2 4.37Å; V230-L280 HydrophobicContact CG2-CD1 3.91Å; V230-L280 HydrophobicContact CG2-CD2 4.16Å
231A96.8Very high95.1Very high0 Ų035.3 Ų35.30%021%0.207CC..EExtended strand (participates in β ladder)trans-105.9133.1168.200000109.9W185 F198 R218 L219 W221 Q238 V239W185-A231 HydrophobicContact CH2-CB 4.28Å; F198-A231 HydrophobicContact CD2-CB 4.49Å; F198-A231 HydrophobicContact CE1-CB 3.85Å; F198-A231 HydrophobicContact CE2-CB 3.84Å; F198-A231 HydrophobicContact CZ-CB 3.46Å; F198-A231 VanDerWaalsContact CZ-CB 3.46Å; R218-A231 CarbonylContact C-O 3.54Å; R218-A231 VanDerWaalsContact CA-O 3.23Å; R218-A231 WeakPolarHBondContact CA-O 3.35Å; L219-A231 PolarHBondContact N-O 2.87Å; L219-A231 PolarHBondContact O-N 3.28Å; W221-A231 HydrophobicContact CH2-CB 4.13Å; W221-A231 HydrophobicContact CZ3-CB 3.74Å; A231-Q238 WeakPolarHBondContact CA-O 3.49Å; A231-V239 HydrophobicContact CB-CG2 4.12Å
232D96.5Very high95Very high0 Ų036.9 Ų36.90%022%0.216CC..EExtended strand (participates in β ladder)trans-113.2106.3176.8-169.6-25.1000110.7R218 S234 K235 V237 Q238 Y274R218-D232 HydrophobicContact CG-CB 4.1Å; R218-D232 IonicContact CZ-OD2 3.48Å; R218-D232 IonicContact NE-OD2 3.89Å; R218-D232 PolarHBondContact NE-OD2 2.87Å; R218-D232 IonicContact NH2-OD2 3.92Å; D232-S234 VanDerWaalsContact C-N 3.26Å; D232-S234 PolarHBondContact O-N 3.08Å; D232-S234 VanDerWaalsContact OD1-CB 3.32Å; D232-S234 WeakPolarHBondContact OD1-CB 3.35Å; D232-S234 PolarHBondContact OD1-N 3.19Å; D232-S234 PolarHBondContact OD1-OG 2.81Å; D232-K235 HydrophobicContact CB-CB 4.41Å; D232-K235 HydrophobicContact CB-CD 4.49Å; D232-K235 PolarHBondContact O-N 3.4Å; D232-V237 WeakPolarHBondContact O-CA 3.3Å; D232-V237 PolarHBondContact O-N 2.95Å; D232-Q238 PolarHBondContact N-O 3.04Å; D232-Q238 PolarHBondContact O-N 3.31Å; D232-Y274 HydrophobicContact CB-CE1 4.12Å; D232-Y274 WeakPolarHBondContact CB-OH 3.5Å
233A96.1Very high94.9Very high6 Ų645.3 Ų45.35%0.0525%0.247CC..G310 helixtrans-71-21.2-178.400000113.1P184 W185 S217 K235P184-A233 HydrophobicContact CB-CB 3.74Å; P184-A233 WeakPolarHBondContact CB-O 3.31Å; W185-A233 HydrophobicContact CD2-CB 3.46Å; W185-A233 VanDerWaalsContact CD2-CB 3.46Å; W185-A233 VanDerWaalsContact CE2-CB 3.41Å; W185-A233 HydrophobicContact CE3-CB 3.78Å; W185-A233 HydrophobicContact CG-CB 3.94Å; W185-A233 HydrophobicContact CH2-CB 4.01Å; W185-A233 HydrophobicContact CZ2-CB 3.7Å; W185-A233 HydrophobicContact CZ3-CB 4.05Å; S217-A233 WeakPolarHBondContact O-CB 3.19Å; S217-A233 PolarHBondContact O-N 2.84Å; A233-K235 PolarHBondContact O-N 3.33Å
234S93Very high94.8Very high76 Ų7645.8 Ų45.853%0.53125%0.25SS..G310 helixtrans-70-20.7173.875.10000112.5D232D232-S234 VanDerWaalsContact C-N 3.26Å; D232-S234 PolarHBondContact O-N 3.08Å; D232-S234 VanDerWaalsContact OD1-CB 3.32Å; D232-S234 WeakPolarHBondContact OD1-CB 3.35Å; D232-S234 PolarHBondContact OD1-N 3.19Å; D232-S234 PolarHBondContact OD1-OG 2.81Å
235K91Very high94.7Very high53 Ų5350.9 Ų50.923%0.2327%0.274CS..G310 helixtrans-109.845.1-179.2-63.9178.3178.9172.50112.1D232 A233 V237 Q238 D276D232-K235 HydrophobicContact CB-CB 4.41Å; D232-K235 HydrophobicContact CB-CD 4.49Å; D232-K235 PolarHBondContact O-N 3.4Å; A233-K235 PolarHBondContact O-N 3.33Å; K235-V237 PolarHBondContact O-N 2.86Å; K235-Q238 HydrophobicContact CB-CB 4.41Å; K235-Q238 VanDerWaalsContact O-CG 3.26Å; K235-Q238 WeakPolarHBondContact O-CG 3.29Å; K235-Q238 PolarHBondContact O-N 3.28Å; K235-D276 VanDerWaalsContact NZ-C 3.34Å; K235-D276 PolarHBondContact NZ-O 3.35Å
236S88.9Confident94.8Very high117 Ų11750.5 Ų50.582%0.81827%0.271SS*.THydrogen-bonded Turntrans56.735.1-177.9-53.70000113.4Q238S236-Q238 VanDerWaalsContact C-N 3.32Å; S236-Q238 PolarHBondContact O-N 3.25Å
237V89.8Confident94.9Very high43 Ų4354.2 Ų54.226%0.26129%0.289SS..THydrogen-bonded Turntrans61.737.2177.4-153.40000112.9W185 F198 D232 K235 V239W185-V237 HydrophobicContact CZ3-CG1 4Å; F198-V237 HydrophobicContact CE1-CG1 3.43Å; F198-V237 VanDerWaalsContact CE1-CG1 3.43Å; F198-V237 HydrophobicContact CZ-CG1 3.31Å; D232-V237 WeakPolarHBondContact O-CA 3.3Å; D232-V237 PolarHBondContact O-N 2.95Å; K235-V237 PolarHBondContact O-N 2.86Å; V237-V239 PolarHBondContact O-N 3.31Å
238Q91.6Very high94.9Very high113 Ų11354.4 Ų54.453%0.52829%0.29SS..EExtended strand (participates in β ladder)trans-62.4134.3173.9-84.4177.6-8.300111.1A231 D232 K235 S236A231-Q238 WeakPolarHBondContact CA-O 3.49Å; D232-Q238 PolarHBondContact N-O 3.04Å; D232-Q238 PolarHBondContact O-N 3.31Å; K235-Q238 HydrophobicContact CB-CB 4.41Å; K235-Q238 VanDerWaalsContact O-CG 3.26Å; K235-Q238 WeakPolarHBondContact O-CG 3.29Å; K235-Q238 PolarHBondContact O-N 3.28Å; S236-Q238 VanDerWaalsContact C-N 3.32Å; S236-Q238 PolarHBondContact O-N 3.25Å
239V94.6Very high95Very high69 Ų6954.5 Ų54.542%0.41829%0.291SS..EExtended strand (participates in β ladder)trans-107.6130.7179.3-178.90000110F198 W221 V230 A231 V237F198-V239 HydrophobicContact CD1-CG2 3.61Å; F198-V239 HydrophobicContact CE1-CG2 3.74Å; W221-V239 HydrophobicContact CH2-CG1 3.71Å; W221-V239 HydrophobicContact CH2-CG2 4.27Å; W221-V239 HydrophobicContact CZ2-CG1 4.08Å; V230-V239 WeakPolarHBondContact O-CA 3.45Å; A231-V239 HydrophobicContact CB-CG2 4.12Å; V237-V239 PolarHBondContact O-N 3.31Å
240S95.2Very high95Very high22 Ų2255.7 Ų55.715%0.15430%0.297CS..EExtended strand (participates in β ladder)trans-115.7124.8170.5-161.60000108.6S229 V230 G278 L280S229-S240 CarbonylContact C-O 3.54Å; S229-S240 VanDerWaalsContact CA-O 3.23Å; S229-S240 WeakPolarHBondContact CA-O 3.32Å; V230-S240 PolarHBondContact N-O 2.97Å; V230-S240 PolarHBondContact O-N 3.42Å; S240-G278 WeakPolarHBondContact CB-O 3.37Å; S240-G278 PolarHBondContact OG-O 3.47Å; S240-L280 PolarHBondContact OG-N 3Å; S240-L280 VanDerWaalsContact OG-N 3.14Å
241T95.3Very high95.1Very high81 Ų8156.3 Ų56.350%0.49730%0.301SS..EExtended strand (participates in β ladder)trans-123.2126.3-177.7-63.90000109.5T227 V228 S229T227-T241 HydrophobicContact CG2-CG2 4.14Å; V228-T241 WeakPolarHBondContact O-CA 3.44Å; S229-T241 WeakPolarHBondContact OG-CB 3.28Å; S229-T241 WeakPolarHBondContact OG-CG2 3.12Å; S229-T241 PolarHBondContact OG-OG1 3.29Å
242L95.9Very high95.2Very high43 Ų4356.7 Ų56.723%0.22530%0.303CS..EExtended strand (participates in β ladder)trans-109.4118.5174.3-179.867000108.9T227 V228 F272 L280 F282T227-L242 WeakPolarHBondContact CA-O 3.44Å; V228-L242 PolarHBondContact N-O 3.01Å; V228-L242 PolarHBondContact O-N 2.71Å; L242-F272 HydrophobicContact CD2-CD1 3.7Å; L242-F272 HydrophobicContact CD2-CE1 3.87Å; L242-L280 HydrophobicContact CB-CD2 3.92Å; L242-L280 HydrophobicContact CB-CG 4.1Å; L242-F282 HydrophobicContact CD2-CB 3.96Å
243R95.5Very high95.3Very high176 Ų17657.1 Ų57.166%0.66431%0.306SS*.EExtended strand (participates in β ladder)trans-85.9125.6167.6-172.7166.8-171.9164.32.4109T227T227-R243 HydrophobicContact CG2-CB 4.2Å; T227-R243 HydrophobicContact CG2-CG 4.28Å
244T94.9Very high95.4Very high17 Ų1756.8 Ų56.810%0.10430%0.304CS..  trans-96.7161.3-179.669.70000110.7S226 V228 F246 F272S226-T244 PolarHBondContact O-N 3.01Å; S226-T244 PolarHBondContact O-OG1 2.86Å; V228-T244 HydrophobicContact CG2-CG2 4.41Å; T244-F246 HydrophobicContact CG2-CD2 4.25Å; T244-F246 PolarHBondContact OG1-N 3.11Å; T244-F272 HydrophobicContact CG2-CE1 3.9Å; T244-F272 HydrophobicContact CG2-CZ 4.21Å
245E96Very high95.5Very high180 Ų18053.3 Ų53.384%0.84128%0.279SS*.SBendtrans-82.9-2.3169.465.2-174.7162.300112.9
246F96Very high95.7Very high28 Ų2851.4 Ų51.412%0.12327%0.272CS..SBendtrans-87.4169.5-173.7-53-50.8000112S226 T244 D266 M270 F282 K285S226-F246 VanDerWaalsContact CB-O 3.28Å; S226-F246 WeakPolarHBondContact CB-O 3.47Å; S226-F246 PolarHBondContact OG-O 2.69Å; T244-F246 HydrophobicContact CG2-CD2 4.25Å; T244-F246 PolarHBondContact OG1-N 3.11Å; F246-D266 WeakPolarHBondContact CB-OD2 3.41Å; F246-M270 HydrophobicContact CB-CE 3.92Å; F246-M270 HydrophobicContact CB-SD 4.35Å; F246-M270 HydrophobicContact CD1-CE 4.23Å; F246-M270 HydrophobicContact CD2-CE 3.83Å; F246-M270 HydrophobicContact CD2-SD 3.31Å; F246-M270 WeakPolarHBondContact CD2-SD 3.41Å; F246-M270 HydrophobicContact CE2-CE 4.45Å; F246-M270 HydrophobicContact CE2-SD 3.73Å; F246-M270 HydrophobicContact CG-CE 3.72Å; F246-M270 HydrophobicContact CG-SD 3.88Å; F246-F282 AromaticContact CE2-CD2 3.97Å; F246-F282 HydrophobicContact CE2-CD2 3.97Å; F246-F282 HydrophobicContact CE2-CE1 4.22Å; F246-F282 AromaticContact CE2-CE2 3.64Å; F246-F282 HydrophobicContact CE2-CE2 3.64Å; F246-F282 HydrophobicContact CE2-CG 4.38Å; F246-F282 AromaticContact CE2-CZ 3.77Å; F246-F282 HydrophobicContact CE2-CZ 3.77Å; F246-F282 HydrophobicContact CZ-CE1 4.07Å; F246-F282 HydrophobicContact CZ-CE2 4.14Å; F246-F282 AromaticContact CZ-CZ 3.77Å; F246-F282 HydrophobicContact CZ-CZ 3.77Å; F246-K285 VanDerWaalsContact CE1-CE 3.42Å
247L97.3Very high96Very high97 Ų9747.5 Ų47.551%0.50824%0.241SC..PPolyproline II helixtrans-69.4165.7171.5-60178.1000110.6L249 H265 D266L247-L249 PolarHBondContact O-N 3.18Å; L247-H265 HydrophobicContact CB-CB 3.68Å; L247-H265 HydrophobicContact CD1-CB 4.03Å; L247-D266 WeakPolarHBondContact CA-OD2 3.32Å; L247-D266 VanDerWaalsContact CB-OD2 3.29Å; L247-D266 WeakPolarHBondContact CB-OD2 3.47Å; L247-D266 PolarHBondContact N-OD2 3.04Å
248P97.6Very high96.3Very high18 Ų1847.9 Ų47.912%0.11724%0.242CC..PPolyproline II helixtrans-61.4140.8-174.7-24.434000113.7H224 H265H224-P248 VanDerWaalsContact O-CG 3.29Å; H224-P248 WeakPolarHBondContact O-CG 3.48Å; P248-H265 PolarHBondContact O-CD2 3.09Å; P248-H265 VanDerWaalsContact O-CD2 3.31Å; P248-H265 PolarHBondContact O-N 3.14Å
249L98.2Very high96.5Very high2 Ų242.7 Ų42.71%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-87.7141.4175.2-63.4163.7000109.6V222 V228 L247 A262 M270 F272V222-L249 HydrophobicContact CB-CB 3.82Å; V222-L249 HydrophobicContact CG1-CB 3.89Å; V222-L249 HydrophobicContact CG1-CD1 4.04Å; V222-L249 HydrophobicContact CG2-CB 4.09Å; V228-L249 HydrophobicContact CG2-CD1 3.4Å; L247-L249 PolarHBondContact O-N 3.18Å; L249-A262 HydrophobicContact CB-CB 4.46Å; L249-A262 HydrophobicContact CD1-CB 3.82Å; L249-A262 HydrophobicContact CD2-CB 4.17Å; L249-A262 HydrophobicContact CG-CB 4.37Å; L249-M270 HydrophobicContact CD2-SD 4.34Å; L249-F272 HydrophobicContact CD1-CE2 4.2Å; L249-F272 HydrophobicContact CD1-CZ 4.07Å
250L98.5Very high96.6Very high28 Ų2839.4 Ų39.415%0.14720%0.198CC..EExtended strand (participates in β ladder)trans-108.9-29.9-174.8-62.3180000112.7H208 G209 A263H208-L250 CarbonylContact C-O 3.48Å; H208-L250 HydrophobicContact CB-CD2 4.36Å; H208-L250 VanDerWaalsContact CB-O 3.3Å; H208-L250 WeakPolarHBondContact CB-O 3.31Å; G209-L250 PolarHBondContact N-O 3.01Å; L250-A263 PolarHBondContact N-O 2.79Å
251S98.6Very high96.8Very high14 Ų1438.4 Ų38.410%0.09819%0.191CC..EExtended strand (participates in β ladder)trans-137.1147.8-179-177.80000110.8A262 A263 V330S251-A262 CarbonylContact O-C 3.58Å; S251-A262 WeakPolarHBondContact O-CA 3.37Å; S251-A262 WeakPolarHBondContact O-CB 3.38Å; S251-A263 PolarHBondContact N-O 3.24Å; S251-A263 PolarHBondContact O-N 3.28Å; S251-V330 PolarHBondContact OG-N 3.5Å
252V98.6Very high96.9Very high8 Ų834.5 Ų34.55%0.04817%0.167CC..EExtended strand (participates in β ladder)trans-142.4143.3177.461.90000110.1A220 V222 V260 V261 A262A220-V252 HydrophobicContact CB-CG2 4.26Å; V222-V252 HydrophobicContact CG1-CB 3.87Å; V222-V252 HydrophobicContact CG1-CG1 4.24Å; V222-V252 HydrophobicContact CG1-CG2 4.31Å; V222-V252 HydrophobicContact CG2-CB 4.24Å; V222-V252 HydrophobicContact CG2-CG1 4.15Å; V252-V260 HydrophobicContact CG2-CB 4.08Å; V252-V260 HydrophobicContact CG2-CG2 4.41Å; V252-V261 CarbonylContact C-O 3.54Å; V252-V261 WeakPolarHBondContact CA-O 3.47Å; V252-A262 HydrophobicContact CB-CB 4.12Å; V252-A262 HydrophobicContact CG2-CB 4.11Å
253S98.4Very high97.1Very high8 Ų832.5 Ų32.56%0.05616%0.157CC..EExtended strand (participates in β ladder)trans-142135.8171-173.10000109.9V260 V261S253-V260 CarbonylContact O-C 3.58Å; S253-V260 WeakPolarHBondContact O-CA 3.46Å; S253-V261 PolarHBondContact N-O 2.67Å; S253-V261 PolarHBondContact O-N 3.28Å
254F97.9Very high97.2Very high0 Ų024.1 Ų24.10%013%0.125CC..EExtended strand (participates in β ladder)trans-60.9140.1158.7-82.1-83.1000109.8S211 F212 S213 R218 A220 V230 S256 S259 V260 I332S211-F254 VanDerWaalsContact O-CD2 3.32Å; S211-F254 WeakPolarHBondContact O-CD2 3.49Å; S211-F254 WeakPolarHBondContact O-CE2 3.27Å; S211-F254 PolarHBondContact OG-N 3.44Å; F212-F254 VanDerWaalsContact C-CD2 3.4Å; F212-F254 WeakPolarHBondContact O-CD2 3.27Å; S213-F254 VanDerWaalsContact N-CD2 3.33Å; R218-F254 HydrophobicContact CB-CE2 4.47Å; R218-F254 HydrophobicContact CB-CZ 3.9Å; A220-F254 HydrophobicContact CB-CD2 4.13Å; A220-F254 HydrophobicContact CB-CE2 3.45Å; A220-F254 VanDerWaalsContact CB-CE2 3.45Å; A220-F254 HydrophobicContact CB-CZ 3.86Å; V230-F254 HydrophobicContact CG1-CZ 4.32Å; F254-S256 VanDerWaalsContact CD1-O 3.26Å; F254-S256 WeakPolarHBondContact CD1-O 3.39Å; F254-S259 WeakPolarHBondContact CA-O 3.25Å; F254-V260 HydrophobicContact CB-CG1 4.46Å; F254-V260 HydrophobicContact CD1-CG1 3.37Å; F254-V260 HydrophobicContact CD2-CG1 4Å; F254-V260 HydrophobicContact CE1-CG1 3.44Å; F254-V260 VanDerWaalsContact CE1-CG1 3.44Å; F254-V260 HydrophobicContact CE2-CG1 4.07Å; F254-V260 HydrophobicContact CG-CG1 3.69Å; F254-V260 HydrophobicContact CZ-CG1 3.8Å; F254-I332 WeakPolarHBondContact O-CD1 3.35Å
255V96.8Very high97.4Very high2 Ų226.2 Ų26.21%0.01213%0.134CC..SBendtrans-122.4-12.2175.6-64.60000112.1S259 V261 L271 I332 K337 C340 F357 I369V255-S259 WeakPolarHBondContact CG2-O 3.47Å; V255-S259 PolarHBondContact N-O 3.38Å; V255-V261 HydrophobicContact CG1-CB 4.12Å; V255-V261 HydrophobicContact CG1-CG2 3.76Å; V255-V261 HydrophobicContact CG2-CG2 4.02Å; V255-L271 HydrophobicContact CG2-CD1 4.33Å; V255-I332 HydrophobicContact CG1-CD1 4.01Å; V255-K337 CarbonylContact C-O 3.48Å; V255-C340 HydrophobicContact CB-CB 3.8Å; V255-C340 HydrophobicContact CG1-CB 4.26Å; V255-C340 WeakPolarHBondContact O-CB 3.48Å; V255-C340 PolarHBondContact O-N 3.17Å; V255-C340 VanDerWaalsContact O-N 3.14Å; V255-F357 HydrophobicContact CB-CE2 3.92Å; V255-F357 HydrophobicContact CB-CZ 3.99Å; V255-F357 HydrophobicContact CG1-CE2 4.06Å; V255-F357 HydrophobicContact CG1-CZ 3.96Å; V255-F357 HydrophobicContact CG2-CE2 4.24Å; V255-F357 HydrophobicContact CG2-CZ 3.9Å; V255-I369 HydrophobicContact CG2-CG2 4.38Å
256S95.3Very high97.4Very high13 Ų1319.2 Ų19.29%0.09110%0.102CC..SBendtrans-148.9-177.1163.772.30000107.6F254 N258 S259 K337F254-S256 VanDerWaalsContact CD1-O 3.26Å; F254-S256 WeakPolarHBondContact CD1-O 3.39Å; S256-N258 PolarHBondContact O-N 2.72Å; S256-N258 PolarHBondContact OG-N 3.08Å; S256-S259 PolarHBondContact N-O 2.84Å; S256-S259 VanDerWaalsContact OG-CB 3.28Å; S256-S259 WeakPolarHBondContact OG-CB 3.36Å; S256-S259 PolarHBondContact OG-N 3.05Å; S256-S259 PolarHBondContact OG-OG 2.8Å; S256-K337 CarbonylContact C-O 3.55Å; S256-K337 WeakPolarHBondContact CA-O 3.49Å; S256-K337 PolarHBondContact N-O 2.81Å
257E94.6Very high97.5Very high35 Ų3518.3 Ų18.316%0.16410%0.099CC..SBendtrans-63.2-26.5173.5-80.3-57.4114.500113.7S213 A214 S215 R218S213-E257 PolarHBondContact OG-OE2 3.28Å; S213-E257 VanDerWaalsContact OG-OE2 3.12Å; A214-E257 VanDerWaalsContact CA-OE1 3.26Å; A214-E257 WeakPolarHBondContact CA-OE1 3.26Å; A214-E257 WeakPolarHBondContact CB-OE1 3.42Å; A214-E257 PolarHBondContact N-OE1 3.12Å; S215-E257 VanDerWaalsContact CB-OE2 3.28Å; S215-E257 WeakPolarHBondContact CB-OE2 3.37Å; S215-E257 PolarHBondContact N-OE1 2.87Å; S215-E257 PolarHBondContact OG-OE2 2.68Å; R218-E257 PolarHBondContact NH1-O 3.08Å
258N95Very high97.4Very high51 Ų5113.9 Ų13.927%0.2738%0.076SC..SBendtrans-112-15.9-172.6-64.9-17.5000112.8R218 S256 N273 Y274R218-N258 PolarHBondContact NH1-OD1 2.95Å; S256-N258 PolarHBondContact O-N 2.72Å; S256-N258 PolarHBondContact OG-N 3.08Å; N258-N273 CarbonylContact O-C 3.53Å; N258-N273 WeakPolarHBondContact O-CA 3.09Å; N258-N273 PolarHBondContact O-OD1 2.69Å; N258-Y274 WeakPolarHBondContact CB-O 3.49Å; N258-Y274 PolarHBondContact O-N 3.47Å
259S96.5Very high97.4Very high4 Ų413 Ų133%0.0287%0.07CC..EExtended strand (participates in β ladder)trans-116.9137.7-172.9-510000112.2F254 V255 S256 F272F254-S259 WeakPolarHBondContact CA-O 3.25Å; V255-S259 WeakPolarHBondContact CG2-O 3.47Å; V255-S259 PolarHBondContact N-O 3.38Å; S256-S259 PolarHBondContact N-O 2.84Å; S256-S259 VanDerWaalsContact OG-CB 3.28Å; S256-S259 WeakPolarHBondContact OG-CB 3.36Å; S256-S259 PolarHBondContact OG-N 3.05Å; S256-S259 PolarHBondContact OG-OG 2.8Å; S259-F272 WeakPolarHBondContact CA-O 2.97Å
260V97.5Very high97.4Very high1 Ų112.9 Ų12.91%0.0067%0.07CC..EExtended strand (participates in β ladder)trans-122.7138175.1-59.50000110.5A220 V228 V252 S253 F254 F272A220-V260 HydrophobicContact CB-CG1 3.88Å; V228-V260 HydrophobicContact CG1-CG2 4.5Å; V252-V260 HydrophobicContact CG2-CB 4.08Å; V252-V260 HydrophobicContact CG2-CG2 4.41Å; S253-V260 CarbonylContact O-C 3.58Å; S253-V260 WeakPolarHBondContact O-CA 3.46Å; F254-V260 HydrophobicContact CB-CG1 4.46Å; F254-V260 HydrophobicContact CD1-CG1 3.37Å; F254-V260 HydrophobicContact CD2-CG1 4Å; F254-V260 HydrophobicContact CE1-CG1 3.44Å; F254-V260 VanDerWaalsContact CE1-CG1 3.44Å; F254-V260 HydrophobicContact CE2-CG1 4.07Å; F254-V260 HydrophobicContact CG-CG1 3.69Å; F254-V260 HydrophobicContact CZ-CG1 3.8Å; V260-F272 HydrophobicContact CG2-CB 3.67Å; V260-F272 HydrophobicContact CG2-CD2 4.21Å; V260-F272 HydrophobicContact CG2-CG 4.32Å; V260-F272 PolarHBondContact N-O 2.77Å; V260-F272 PolarHBondContact O-N 2.87Å
261V98.2Very high97.3Very high0 Ų011.6 Ų11.60%06%0.063CC..EExtended strand (participates in β ladder)trans-101.3130.5166.5173.90000108.5V252 S253 V255 P269 M270 L271 L286 V330 F343 F357V252-V261 CarbonylContact C-O 3.54Å; V252-V261 WeakPolarHBondContact CA-O 3.47Å; S253-V261 PolarHBondContact N-O 2.67Å; S253-V261 PolarHBondContact O-N 3.28Å; V255-V261 HydrophobicContact CG1-CB 4.12Å; V255-V261 HydrophobicContact CG1-CG2 3.76Å; V255-V261 HydrophobicContact CG2-CG2 4.02Å; V261-P269 HydrophobicContact CG1-CB 3.91Å; V261-M270 WeakPolarHBondContact CA-O 3.45Å; V261-L271 HydrophobicContact CG2-CD1 3.9Å; V261-L286 HydrophobicContact CG1-CD1 4.46Å; V261-L286 HydrophobicContact CG2-CD1 4.11Å; V261-V330 HydrophobicContact CG1-CG1 4.15Å; V261-F343 HydrophobicContact CG1-CD2 4.31Å; V261-F343 HydrophobicContact CG1-CE2 3.86Å; V261-F343 HydrophobicContact CG1-CZ 4.05Å; V261-F343 HydrophobicContact CG2-CE1 4.38Å; V261-F357 HydrophobicContact CG2-CE1 4.2Å; V261-F357 HydrophobicContact CG2-CZ 3.76Å
262A98.6Very high97.3Very high0 Ų011 Ų110%06%0.058CC..EExtended strand (participates in β ladder)trans-129.2153172.700000111.2V222 L249 S251 V252 M270 F272V222-A262 HydrophobicContact CG1-CB 4.07Å; L249-A262 HydrophobicContact CB-CB 4.46Å; L249-A262 HydrophobicContact CD1-CB 3.82Å; L249-A262 HydrophobicContact CD2-CB 4.17Å; L249-A262 HydrophobicContact CG-CB 4.37Å; S251-A262 CarbonylContact O-C 3.58Å; S251-A262 WeakPolarHBondContact O-CA 3.37Å; S251-A262 WeakPolarHBondContact O-CB 3.38Å; V252-A262 HydrophobicContact CB-CB 4.12Å; V252-A262 HydrophobicContact CG2-CB 4.11Å; A262-M270 PolarHBondContact N-O 2.79Å; A262-M270 PolarHBondContact O-N 2.91Å; A262-F272 HydrophobicContact CB-CD2 4.45Å; A262-F272 HydrophobicContact CB-CE2 4.02Å
263A98.6Very high97.2Very high0 Ų012.8 Ų12.80%07%0.068CC..EExtended strand (participates in β ladder)trans-149.1158.9178.700000110.6L250 S251 P269 I327 V330L250-A263 PolarHBondContact N-O 2.79Å; S251-A263 PolarHBondContact N-O 3.24Å; S251-A263 PolarHBondContact O-N 3.28Å; A263-P269 HydrophobicContact CB-CB 4.42Å; A263-I327 HydrophobicContact CB-CB 3.73Å; A263-I327 HydrophobicContact CB-CD1 3.93Å; A263-I327 HydrophobicContact CB-CG1 4.44Å; A263-I327 HydrophobicContact CB-CG2 3.51Å; A263-V330 HydrophobicContact CB-CG2 3.75Å
264G98.4Very high97.1Very high0 Ų012.5 Ų12.50%07%0.066CC..EExtended strand (participates in β ladder)trans-175.5-129.9-178.700000112.8D266 C267 S326 I327G264-D266 VanDerWaalsContact C-N 3.33Å; G264-D266 PolarHBondContact O-N 3.46Å; G264-C267 PolarHBondContact O-N 2.98Å; G264-S326 WeakPolarHBondContact O-CA 3.48Å; G264-I327 WeakPolarHBondContact CA-O 3.2Å; G264-I327 PolarHBondContact O-N 2.86Å
265H98.2Very high96.8Very high61 Ų6114.7 Ų14.728%0.2828%0.077SC..THydrogen-bonded Turntrans-71.4-19.2-170.8-69.9-63.3000115.1L247 P248 C267 S326L247-H265 HydrophobicContact CB-CB 3.68Å; L247-H265 HydrophobicContact CD1-CB 4.03Å; P248-H265 PolarHBondContact O-CD2 3.09Å; P248-H265 VanDerWaalsContact O-CD2 3.31Å; P248-H265 PolarHBondContact O-N 3.14Å; H265-C267 PolarHBondContact O-N 2.78Å; H265-C267 PolarHBondContact O-SG 3.36Å; H265-S326 PolarHBondContact ND1-OG 2.75Å
266D97.1Very high96.4Very high34 Ų3420.2 Ų20.218%0.18211%0.107CC..THydrogen-bonded Turntrans-71.6-0.6170.3-75.8-101.7000114.2F246 L247 G264 C268 M270 K285F246-D266 WeakPolarHBondContact CB-OD2 3.41Å; L247-D266 WeakPolarHBondContact CA-OD2 3.32Å; L247-D266 VanDerWaalsContact CB-OD2 3.29Å; L247-D266 WeakPolarHBondContact CB-OD2 3.47Å; L247-D266 PolarHBondContact N-OD2 3.04Å; G264-D266 VanDerWaalsContact C-N 3.33Å; G264-D266 PolarHBondContact O-N 3.46Å; D266-C268 PolarHBondContact O-N 2.89Å; D266-C268 PolarHBondContact O-SG 2.77Å; D266-M270 HydrophobicContact CB-CE 3.49Å; D266-M270 VanDerWaalsContact CB-CE 3.49Å; D266-K285 IonicContact OD1-NZ 3.27Å; D266-K285 PolarHBondContact OD1-NZ 3.33Å
267C96.8Very high96.2Very high9 Ų930.5 Ų30.56%0.06114%0.144CC..SBendtrans60.416.1175.5-48.10000114.6G264 H265 L319 T321 H323 N325G264-C267 PolarHBondContact O-N 2.98Å; H265-C267 PolarHBondContact O-N 2.78Å; H265-C267 PolarHBondContact O-SG 3.36Å; C267-L319 HydrophobicContact CB-CD1 3.81Å; C267-L319 VanDerWaalsContact SG-CD1 3.53Å; C267-T321 WeakPolarHBondContact O-CB 3.21Å; C267-H323 HydrophobicContact CB-CB 4.43Å; C267-H323 WeakPolarHBondContact O-CB 3.34Å; C267-N325 WeakPolarHBondContact CB-O 3.14Å; C267-N325 PolarHBondContact SG-O 3.41Å; C267-N325 VanDerWaalsContact SG-O 3.34Å
268C96.3Very high96.1Very high3 Ų329.5 Ų29.52%0.0214%0.143CC..SBendtrans-139148.6175.755.70000111.7D266 D287 T321D266-C268 PolarHBondContact O-N 2.89Å; D266-C268 PolarHBondContact O-SG 2.77Å; C268-D287 HydrophobicContact CB-CB 3.65Å; C268-T321 HydrophobicContact CB-CG2 3.76Å
269P97.7Very high96Very high0 Ų029.9 Ų29.90%015%0.149CC..  trans-75.3143.1171.325.1-25.2000111.7V261 A263 L286 F343 W355V261-P269 HydrophobicContact CG1-CB 3.91Å; A263-P269 HydrophobicContact CB-CB 4.42Å; P269-L286 HydrophobicContact CB-CD1 4.38Å; P269-L286 HydrophobicContact CG-CB 4.15Å; P269-L286 WeakPolarHBondContact O-CB 3.1Å; P269-L286 PolarHBondContact O-N 2.95Å; P269-F343 HydrophobicContact CB-CE2 3.89Å; P269-F343 HydrophobicContact CB-CZ 4.06Å; P269-F343 HydrophobicContact CG-CE2 4.07Å; P269-F343 HydrophobicContact CG-CZ 4.11Å; P269-W355 HydrophobicContact CG-CD2 3.91Å; P269-W355 HydrophobicContact CG-CE3 4.04Å; P269-W355 HydrophobicContact CG-CH2 3.71Å; P269-W355 HydrophobicContact CG-CZ2 3.54Å; P269-W355 HydrophobicContact CG-CZ3 3.94Å
270M97.6Very high96Very high0 Ų030 Ų300%015%0.149CC..EExtended strand (participates in β ladder)trans-124.6140.2-178.3-61-173.5-165.100109.9F246 L249 V261 A262 D266 F272 F282 K285F246-M270 HydrophobicContact CB-CE 3.92Å; F246-M270 HydrophobicContact CB-SD 4.35Å; F246-M270 HydrophobicContact CD1-CE 4.23Å; F246-M270 HydrophobicContact CD2-CE 3.83Å; F246-M270 HydrophobicContact CD2-SD 3.31Å; F246-M270 WeakPolarHBondContact CD2-SD 3.41Å; F246-M270 HydrophobicContact CE2-CE 4.45Å; F246-M270 HydrophobicContact CE2-SD 3.73Å; F246-M270 HydrophobicContact CG-CE 3.72Å; F246-M270 HydrophobicContact CG-SD 3.88Å; L249-M270 HydrophobicContact CD2-SD 4.34Å; V261-M270 WeakPolarHBondContact CA-O 3.45Å; A262-M270 PolarHBondContact N-O 2.79Å; A262-M270 PolarHBondContact O-N 2.91Å; D266-M270 HydrophobicContact CB-CE 3.49Å; D266-M270 VanDerWaalsContact CB-CE 3.49Å; M270-F272 HydrophobicContact CB-CE2 3.65Å; M270-F272 HydrophobicContact CB-CZ 4.02Å; M270-F272 HydrophobicContact SD-CZ 4.43Å; M270-F282 HydrophobicContact CB-CE2 4.11Å; M270-F282 HydrophobicContact CG-CE2 4.34Å; M270-F282 HydrophobicContact SD-CE2 4.27Å; M270-K285 HydrophobicContact CG-CG 4.25Å
271L97.6Very high96Very high1 Ų132.8 Ų32.81%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-102.4135.5177.6-175.771.5000110.8V255 V261 V283 S284 L286 L367 I369V255-L271 HydrophobicContact CG2-CD1 4.33Å; V261-L271 HydrophobicContact CG2-CD1 3.9Å; L271-V283 HydrophobicContact CB-CB 4.2Å; L271-V283 HydrophobicContact CD2-CB 4Å; L271-V283 HydrophobicContact CD2-CG1 3.9Å; L271-V283 HydrophobicContact CD2-CG2 4.31Å; L271-V283 HydrophobicContact CG-CB 4.09Å; L271-V283 HydrophobicContact CG-CG2 4.27Å; L271-V283 WeakPolarHBondContact O-CB 3.38Å; L271-V283 PolarHBondContact O-N 3.11Å; L271-S284 PolarHBondContact N-O 2.86Å; L271-L286 HydrophobicContact CB-CD1 4.3Å; L271-L286 HydrophobicContact CB-CD2 4.03Å; L271-L286 HydrophobicContact CB-CG 4.27Å; L271-L367 HydrophobicContact CD2-CD1 3.48Å; L271-L367 VanDerWaalsContact CD2-CD1 3.48Å; L271-I369 HydrophobicContact CD2-CD1 3.94Å; L271-I369 HydrophobicContact CD2-CG1 3.79Å
272F97.5Very high95.9Very high0 Ų036.5 Ų36.50%018%0.183CC..EExtended strand (participates in β ladder)trans-127.5150.2172.7-52.7-98.8000110V228 L242 T244 L249 S259 V260 A262 M270 L280 T281 F282V228-F272 HydrophobicContact CG2-CD1 4.29Å; V228-F272 HydrophobicContact CG2-CD2 4.41Å; V228-F272 HydrophobicContact CG2-CE1 3.82Å; V228-F272 HydrophobicContact CG2-CE2 3.99Å; V228-F272 HydrophobicContact CG2-CZ 3.67Å; L242-F272 HydrophobicContact CD2-CD1 3.7Å; L242-F272 HydrophobicContact CD2-CE1 3.87Å; T244-F272 HydrophobicContact CG2-CE1 3.9Å; T244-F272 HydrophobicContact CG2-CZ 4.21Å; L249-F272 HydrophobicContact CD1-CE2 4.2Å; L249-F272 HydrophobicContact CD1-CZ 4.07Å; S259-F272 WeakPolarHBondContact CA-O 2.97Å; V260-F272 HydrophobicContact CG2-CB 3.67Å; V260-F272 HydrophobicContact CG2-CD2 4.21Å; V260-F272 HydrophobicContact CG2-CG 4.32Å; V260-F272 PolarHBondContact N-O 2.77Å; V260-F272 PolarHBondContact O-N 2.87Å; A262-F272 HydrophobicContact CB-CD2 4.45Å; A262-F272 HydrophobicContact CB-CE2 4.02Å; M270-F272 HydrophobicContact CB-CE2 3.65Å; M270-F272 HydrophobicContact CB-CZ 4.02Å; M270-F272 HydrophobicContact SD-CZ 4.43Å; F272-L280 HydrophobicContact CB-CD1 4.04Å; F272-T281 CarbonylContact C-O 3.54Å; F272-T281 WeakPolarHBondContact CA-O 3.46Å; F272-T281 WeakPolarHBondContact CB-O 3.21Å; F272-F282 HydrophobicContact CD1-CB 4.04Å; F272-F282 HydrophobicContact CD1-CD2 4.13Å; F272-F282 HydrophobicContact CE1-CB 4Å; F272-F282 AromaticContact CE1-CD2 3.67Å; F272-F282 HydrophobicContact CE1-CD2 3.67Å; F272-F282 HydrophobicContact CE1-CG 4.32Å; F272-F282 AromaticContact CZ-CD2 3.98Å; F272-F282 HydrophobicContact CZ-CD2 3.98Å
273N96.6Very high95.8Very high47 Ų4739.3 Ų39.325%0.25120%0.2SC..EExtended strand (participates in β ladder)trans-121.8133.3177.8-175.877.4000110.5N258 L280 T281 V283N258-N273 CarbonylContact O-C 3.53Å; N258-N273 WeakPolarHBondContact O-CA 3.09Å; N258-N273 PolarHBondContact O-OD1 2.69Å; N273-L280 CarbonylContact O-C 3.58Å; N273-L280 WeakPolarHBondContact O-CA 3.39Å; N273-T281 PolarHBondContact N-O 3.35Å; N273-T281 PolarHBondContact O-N 2.97Å; N273-T281 PolarHBondContact O-OG1 2.99Å; N273-V283 HydrophobicContact CB-CG2 3.75Å
274Y95.7Very high95.6Very high2 Ų240.6 Ų40.61%0.00821%0.208CC..EExtended strand (participates in β ladder)trans-107.6107.2170.3-177.5-99.5000108.4V230 D232 N258 G278 C279 L280V230-Y274 HydrophobicContact CB-CD2 3.83Å; V230-Y274 HydrophobicContact CB-CE2 4.15Å; V230-Y274 HydrophobicContact CB-CG 4.27Å; V230-Y274 HydrophobicContact CG1-CD1 4.17Å; V230-Y274 HydrophobicContact CG1-CD2 3.82Å; V230-Y274 HydrophobicContact CG1-CE1 4.35Å; V230-Y274 HydrophobicContact CG1-CE2 4.01Å; V230-Y274 HydrophobicContact CG1-CG 3.89Å; V230-Y274 HydrophobicContact CG2-CD2 4.37Å; D232-Y274 HydrophobicContact CB-CE1 4.12Å; D232-Y274 WeakPolarHBondContact CB-OH 3.5Å; N258-Y274 WeakPolarHBondContact CB-O 3.49Å; N258-Y274 PolarHBondContact O-N 3.47Å; Y274-G278 WeakPolarHBondContact CE2-O 3.4Å; Y274-G278 VanDerWaalsContact CZ-CA 3.48Å; Y274-G278 WeakPolarHBondContact OH-CA 3.5Å; Y274-C279 WeakPolarHBondContact CA-O 3.46Å; Y274-L280 HydrophobicContact CD2-CB 4.3Å
275D92.2Very high95.4Very high45 Ų4543.8 Ų43.824%0.24122%0.223CC..  trans-80.2169.6-175.973.214.8000113.2R277 G278 C279D275-R277 PolarHBondContact O-N 2.96Å; D275-R277 VanDerWaalsContact O-N 3.09Å; D275-R277 VanDerWaalsContact OD1-CA 3.29Å; D275-R277 WeakPolarHBondContact OD1-CA 3.4Å; D275-R277 VanDerWaalsContact OD1-CB 3.3Å; D275-R277 WeakPolarHBondContact OD1-CB 3.15Å; D275-R277 PolarHBondContact OD1-N 2.86Å; D275-G278 PolarHBondContact O-N 2.77Å; D275-G278 PolarHBondContact OD1-N 3.33Å; D275-C279 PolarHBondContact N-O 3.27Å; D275-C279 WeakPolarHBondContact OD1-CB 3.15Å; D275-C279 PolarHBondContact OD1-N 3.08Å; D275-C279 WeakPolarHBondContact OD2-CB 3.31Å
276D87.9Confident95.3Very high119 Ų11940.9 Ų40.964%0.63621%0.209SC*.THydrogen-bonded Turntrans-66.7-9.6177.7-65.9-33.1000113.5R218 K235 G278R218-D276 IonicContact NH2-OD1 2.67Å; K235-D276 VanDerWaalsContact NZ-C 3.34Å; K235-D276 PolarHBondContact NZ-O 3.35Å; D276-G278 VanDerWaalsContact C-N 3.34Å
277R91Very high95Very high228 Ų22840 Ų4086%0.8620%0.204SC*.THydrogen-bonded Turntrans-88-6.9173.3-55.6179.2-179-167.80.7112.2D275D275-R277 PolarHBondContact O-N 2.96Å; D275-R277 VanDerWaalsContact O-N 3.09Å; D275-R277 VanDerWaalsContact OD1-CA 3.29Å; D275-R277 WeakPolarHBondContact OD1-CA 3.4Å; D275-R277 VanDerWaalsContact OD1-CB 3.3Å; D275-R277 WeakPolarHBondContact OD1-CB 3.15Å; D275-R277 PolarHBondContact OD1-N 2.86Å
278G92.3Very high94.3Very high15 Ų1543 Ų4316%0.15522%0.222CC..SBendtrans86.817.9-178.700000114.1S240 Y274 D275 D276S240-G278 WeakPolarHBondContact CB-O 3.37Å; S240-G278 PolarHBondContact OG-O 3.47Å; Y274-G278 WeakPolarHBondContact CE2-O 3.4Å; Y274-G278 VanDerWaalsContact CZ-CA 3.48Å; Y274-G278 WeakPolarHBondContact OH-CA 3.5Å; D275-G278 PolarHBondContact O-N 2.77Å; D275-G278 PolarHBondContact OD1-N 3.33Å; D276-G278 VanDerWaalsContact C-N 3.34Å
279C94.2Very high93.1Very high58 Ų5846 Ų4639%0.39224%0.242SC..  trans-94.1124.2178.4-166.20000110.5Y274 D275Y274-C279 WeakPolarHBondContact CA-O 3.46Å; D275-C279 PolarHBondContact N-O 3.27Å; D275-C279 WeakPolarHBondContact OD1-CB 3.15Å; D275-C279 PolarHBondContact OD1-N 3.08Å; D275-C279 WeakPolarHBondContact OD2-CB 3.31Å
280L96.2Very high91.4Very high7 Ų754.4 Ų54.44%0.03728%0.278CS..EExtended strand (participates in β ladder)trans-92.7119.8171.4-177.264.2000109.7V228 V230 S240 L242 F272 N273 Y274V228-L280 HydrophobicContact CB-CD2 4.05Å; V228-L280 HydrophobicContact CG1-CD2 3.98Å; V228-L280 VanDerWaalsContact O-CD2 3.25Å; V228-L280 WeakPolarHBondContact O-CD2 3.38Å; V230-L280 HydrophobicContact CG2-CD1 3.91Å; V230-L280 HydrophobicContact CG2-CD2 4.16Å; S240-L280 PolarHBondContact OG-N 3Å; S240-L280 VanDerWaalsContact OG-N 3.14Å; L242-L280 HydrophobicContact CB-CD2 3.92Å; L242-L280 HydrophobicContact CB-CG 4.1Å; F272-L280 HydrophobicContact CB-CD1 4.04Å; N273-L280 CarbonylContact O-C 3.58Å; N273-L280 WeakPolarHBondContact O-CA 3.39Å; Y274-L280 HydrophobicContact CD2-CB 4.3Å
281T96.9Very high89.1Confident59 Ų5963.3 Ų63.336%0.36232%0.32SS..EExtended strand (participates in β ladder)trans-124.2147.6-179.158.80000111.7F272 N273F272-T281 CarbonylContact C-O 3.54Å; F272-T281 WeakPolarHBondContact CA-O 3.46Å; F272-T281 WeakPolarHBondContact CB-O 3.21Å; N273-T281 PolarHBondContact N-O 3.35Å; N273-T281 PolarHBondContact O-N 2.97Å; N273-T281 PolarHBondContact O-OG1 2.99Å
282F96.9Very high86.2Confident79 Ų7968.3 Ų68.335%0.34636%0.355SS..EExtended strand (participates in β ladder)trans-77.6134168171.4-106.4000109.5L242 F246 M270 F272 S284 K285L242-F282 HydrophobicContact CD2-CB 3.96Å; F246-F282 AromaticContact CE2-CD2 3.97Å; F246-F282 HydrophobicContact CE2-CD2 3.97Å; F246-F282 HydrophobicContact CE2-CE1 4.22Å; F246-F282 AromaticContact CE2-CE2 3.64Å; F246-F282 HydrophobicContact CE2-CE2 3.64Å; F246-F282 HydrophobicContact CE2-CG 4.38Å; F246-F282 AromaticContact CE2-CZ 3.77Å; F246-F282 HydrophobicContact CE2-CZ 3.77Å; F246-F282 HydrophobicContact CZ-CE1 4.07Å; F246-F282 HydrophobicContact CZ-CE2 4.14Å; F246-F282 AromaticContact CZ-CZ 3.77Å; F246-F282 HydrophobicContact CZ-CZ 3.77Å; M270-F282 HydrophobicContact CB-CE2 4.11Å; M270-F282 HydrophobicContact CG-CE2 4.34Å; M270-F282 HydrophobicContact SD-CE2 4.27Å; F272-F282 HydrophobicContact CD1-CB 4.04Å; F272-F282 HydrophobicContact CD1-CD2 4.13Å; F272-F282 HydrophobicContact CE1-CB 4Å; F272-F282 AromaticContact CE1-CD2 3.67Å; F272-F282 HydrophobicContact CE1-CD2 3.67Å; F272-F282 HydrophobicContact CE1-CG 4.32Å; F272-F282 AromaticContact CZ-CD2 3.98Å; F272-F282 HydrophobicContact CZ-CD2 3.98Å; F282-S284 VanDerWaalsContact CZ-C 3.4Å; F282-K285 HydrophobicContact CZ-CG 4.14Å
283V95.6Very high83.1Confident59 Ų5975.7 Ų75.736%0.35839%0.393SS..EExtended strand (participates in β ladder)trans-101.6-61.6-179.1-177.40000110.6L271 N273 L367L271-V283 HydrophobicContact CB-CB 4.2Å; L271-V283 HydrophobicContact CD2-CB 4Å; L271-V283 HydrophobicContact CD2-CG1 3.9Å; L271-V283 HydrophobicContact CD2-CG2 4.31Å; L271-V283 HydrophobicContact CG-CB 4.09Å; L271-V283 HydrophobicContact CG-CG2 4.27Å; L271-V283 WeakPolarHBondContact O-CB 3.38Å; L271-V283 PolarHBondContact O-N 3.11Å; N273-V283 HydrophobicContact CB-CG2 3.75Å; V283-L367 HydrophobicContact CG1-CD1 3.8Å
284S94.8Very high80.2Confident26 Ų2681.4 Ų81.418%0.18242%0.418CS..EExtended strand (participates in β ladder)trans-166.8159.4-178.3-167.90000112.7L271 F282L271-S284 PolarHBondContact N-O 2.86Å; F282-S284 VanDerWaalsContact CZ-C 3.4Å
285K95.1Very high77.7Confident68 Ų6892 Ų9230%0.29646%0.458SS..EExtended strand (participates in β ladder)trans-76.7132.5158.6-66.8-170.4174-165.80108.1F246 D266 M270 F282F246-K285 VanDerWaalsContact CE1-CE 3.42Å; D266-K285 IonicContact OD1-NZ 3.27Å; D266-K285 PolarHBondContact OD1-NZ 3.33Å; M270-K285 HydrophobicContact CG-CG 4.25Å; F282-K285 HydrophobicContact CZ-CG 4.14Å
286L94.9Very high75.4Confident0 Ų097 Ų970%049%0.485CS..SBendtrans-89.7-11.6-174.7-60.6179.2000113.1V261 P269 L271 F343 F357 L360 I364 L367V261-L286 HydrophobicContact CG1-CD1 4.46Å; V261-L286 HydrophobicContact CG2-CD1 4.11Å; P269-L286 HydrophobicContact CB-CD1 4.38Å; P269-L286 HydrophobicContact CG-CB 4.15Å; P269-L286 WeakPolarHBondContact O-CB 3.1Å; P269-L286 PolarHBondContact O-N 2.95Å; L271-L286 HydrophobicContact CB-CD1 4.3Å; L271-L286 HydrophobicContact CB-CD2 4.03Å; L271-L286 HydrophobicContact CB-CG 4.27Å; L286-F343 HydrophobicContact CD1-CE1 4.02Å; L286-F343 HydrophobicContact CD1-CZ 3.72Å; L286-F357 HydrophobicContact CD1-CE1 4.15Å; L286-L360 HydrophobicContact CB-CD1 4.26Å; L286-L360 HydrophobicContact CB-CD2 4.38Å; L286-L360 HydrophobicContact CD1-CD1 4.26Å; L286-L360 HydrophobicContact CD2-CD1 4.38Å; L286-L360 WeakPolarHBondContact O-CD2 3.45Å; L286-I364 HydrophobicContact CD2-CD1 4.23Å; L286-L367 HydrophobicContact CD2-CD1 4.43Å; L286-L367 HydrophobicContact CD2-CD2 4Å
287D92Very high73.9Confident15 Ų1594.7 Ų94.78%0.0847%0.471CS..  trans-99.485175.3-162.51.3000109.8C268 T321 L322 W355C268-D287 HydrophobicContact CB-CB 3.65Å; D287-T321 WeakPolarHBondContact OD2-CA 3.33Å; D287-T321 WeakPolarHBondContact OD2-CB 3.36Å; D287-L322 PolarHBondContact OD2-N 3.2Å; D287-W355 HydrophobicContact CB-CH2 3.82Å; D287-W355 HydrophobicContact CB-CZ3 3.99Å
288V80.4Confident72.6Confident71 Ų7186.9 Ų86.943%0.4345%0.451SS..PPolyproline II helixtrans-98.3117.2177.8-176.20000108.2K290 I364V288-K290 PolarHBondContact O-N 3.44Å; V288-K290 VanDerWaalsContact O-N 3.17Å; V288-I364 HydrophobicContact CG2-CD1 3.92Å; V288-I364 HydrophobicContact CG2-CG1 3.97Å
289P72.2Confident71.5Confident67 Ų6790.2 Ų90.244%0.43548%0.477SS..PPolyproline II helixtrans-57.8123.3175.3-20.530.7000109.3Q291 E320P289-Q291 PolarHBondContact O-N 3.29Å; P289-E320 HydrophobicContact CG-CB 3.94Å
290K62.5Low70.5Confident176 Ų17693.4 Ų93.477%0.76549%0.488SS*.PPolyproline II helixtrans-64.5122.8163.5-67.8-172.6178.3-173.20106V288 S292V288-K290 PolarHBondContact O-N 3.44Å; V288-K290 VanDerWaalsContact O-N 3.17Å; K290-S292 PolarHBondContact O-N 3.46Å
291Q48.5Very low69Low188 Ų18897.9 Ų97.988%0.87951%0.509SS*.  trans-36.2120.5174.4-81.5-179.4-6.800109P289 I293P289-Q291 PolarHBondContact O-N 3.29Å; Q291-I293 PolarHBondContact O-N 3.11Å
292S36.9Very low67.3Low106 Ų106101.3 Ų101.374%0.74152%0.515SS*.  trans-52.1103.8-173.155.60000109.9K290 Q294K290-S292 PolarHBondContact O-N 3.46Å; S292-Q294 VanDerWaalsContact C-N 3.29Å; S292-Q294 PolarHBondContact O-N 3.24Å; S292-Q294 VanDerWaalsContact O-N 3.09Å
293I32Very low65.8Low154 Ų154104 Ų10479%0.7953%0.527SS*.  trans-61.8110.4143.1-58.6172.6000102Q291 R295Q291-I293 PolarHBondContact O-N 3.11Å; I293-R295 PolarHBondContact O-N 3.22Å
294Q35.2Very low64.4Low168 Ų168108.6 Ų108.679%0.78554%0.538SS*.  trans-48.896.4167.5-84.9179-26.100106.8S292 N296S292-Q294 VanDerWaalsContact C-N 3.29Å; S292-Q294 PolarHBondContact O-N 3.24Å; S292-Q294 VanDerWaalsContact O-N 3.09Å; Q294-N296 PolarHBondContact O-N 3.05Å
295R44Very low63Low223 Ų223110.1 Ų110.184%0.84254%0.544SS*.  trans-67.1108.5165.6-97.5-175.7169.3-179.7-3103.3I293 M297I293-R295 PolarHBondContact O-N 3.22Å; R295-M297 PolarHBondContact O-N 3.1Å
296N44.2Very low61.4Low152 Ų152110.1 Ų110.181%0.81355%0.546SS*.  trans-57.686.5162.7-82.6-22.3000107.1Q294 S298Q294-N296 PolarHBondContact O-N 3.05Å; N296-S298 PolarHBondContact O-N 2.84Å
297M56.4Low60Low70 Ų70116 Ų11635%0.34558%0.577SS.*  trans-57.7127.3169.5-78.3-178.756.200107R295 E301 R302 N305R295-M297 PolarHBondContact O-N 3.1Å; M297-E301 HydrophobicContact CE-CB 4.2Å; M297-E301 HydrophobicContact CE-CG 4.12Å; M297-R302 HydrophobicContact CB-CG 4.16Å; M297-R302 HydrophobicContact CE-CG 3.98Å; M297-N305 VanDerWaalsContact CE-ND2 3.27Å; M297-N305 WeakPolarHBondContact CE-ND2 2.99Å
298S64.3Low58.7Low64 Ų64122.7 Ų122.745%0.44861%0.605SS.*  trans-61.2152.6175.675.40000109.8N296 M300 E301 R302N296-S298 PolarHBondContact O-N 2.84Å; S298-M300 PolarHBondContact O-N 3.26Å; S298-M300 VanDerWaalsContact O-N 3.12Å; S298-E301 WeakPolarHBondContact O-CB 3.35Å; S298-E301 PolarHBondContact O-N 2.97Å; S298-E301 PolarHBondContact OG-N 3.36Å; S298-R302 PolarHBondContact O-N 2.99Å
299A68.2Low57.9Low85 Ų85125.2 Ų125.270%0.70261%0.607SS**Hα-helixtrans-54.1-33.1175.600000112.2R302 F303A299-R302 PolarHBondContact O-N 3.29Å; A299-F303 WeakPolarHBondContact O-CB 3.47Å; A299-F303 PolarHBondContact O-N 3Å
300M72.7Confident57.6Low125 Ų125126.6 Ų126.662%0.61662%0.624SS**Hα-helixtrans-69.4-35.6176.4-177.9161.2-92.900112.8S298 F303 R304S298-M300 PolarHBondContact O-N 3.26Å; S298-M300 VanDerWaalsContact O-N 3.12Å; M300-F303 PolarHBondContact O-N 3.07Å; M300-R304 WeakPolarHBondContact O-CG 3.35Å; M300-R304 PolarHBondContact O-N 3.15Å
301E65Low57.4Low100 Ų100121.5 Ų121.547%0.46761%0.608SS.*Hα-helixtrans-72.1-38177.1-154.7171.2-162.900111.2M297 S298 N305M297-E301 HydrophobicContact CE-CB 4.2Å; M297-E301 HydrophobicContact CE-CG 4.12Å; S298-E301 WeakPolarHBondContact O-CB 3.35Å; S298-E301 PolarHBondContact O-N 2.97Å; S298-E301 PolarHBondContact OG-N 3.36Å; E301-N305 WeakPolarHBondContact O-CB 3.34Å; E301-N305 VanDerWaalsContact O-CG 3.31Å; E301-N305 PolarHBondContact O-N 2.68Å; E301-N305 VanDerWaalsContact O-N 3.08Å
302R61.6Low58Low132 Ų132119.3 Ų119.350%0.49861%0.608SS.*Hα-helixtrans-59.9-47.2168.8-70.6-169.8-173-169.91.5111.5M297 S298 A299 N305 M306M297-R302 HydrophobicContact CB-CG 4.16Å; M297-R302 HydrophobicContact CE-CG 3.98Å; S298-R302 PolarHBondContact O-N 2.99Å; A299-R302 PolarHBondContact O-N 3.29Å; R302-N305 PolarHBondContact O-N 2.95Å; R302-M306 WeakPolarHBondContact O-CG 3.35Å; R302-M306 PolarHBondContact O-N 3.03Å
303F65.9Low58.8Low134 Ų134119.3 Ų119.359%0.58860%0.596SS**Hα-helixtrans-62.1-46-179.7-164.7-90.9000112.2A299 M300 N305 M306 D307A299-F303 WeakPolarHBondContact O-CB 3.47Å; A299-F303 PolarHBondContact O-N 3Å; M300-F303 PolarHBondContact O-N 3.07Å; F303-N305 VanDerWaalsContact C-N 3.28Å; F303-N305 PolarHBondContact O-N 3.19Å; F303-M306 HydrophobicContact CD2-CE 4.25Å; F303-M306 PolarHBondContact O-N 2.97Å; F303-D307 WeakPolarHBondContact O-CB 3.29Å; F303-D307 PolarHBondContact O-N 3.09Å
304R66.7Low59.9Low156 Ų156118.6 Ų118.659%0.58959%0.594SS**Hα-helixtrans-60.7-36.3175.5-75.6179.8-175.3173.32.8112.8M300 K308M300-R304 WeakPolarHBondContact O-CG 3.35Å; M300-R304 PolarHBondContact O-N 3.15Å; R304-K308 WeakPolarHBondContact O-CB 3.48Å; R304-K308 VanDerWaalsContact O-CG 3.29Å; R304-K308 WeakPolarHBondContact O-CG 3.43Å; R304-K308 PolarHBondContact O-N 3.5Å
305N64.1Low60.7Low58 Ų58118.9 Ų118.931%0.3159%0.588SS.*Hα-helixtrans-73.6-38.2178.9-75.2-8.6000112.2M297 E301 R302 F303 R309M297-N305 VanDerWaalsContact CE-ND2 3.27Å; M297-N305 WeakPolarHBondContact CE-ND2 2.99Å; E301-N305 WeakPolarHBondContact O-CB 3.34Å; E301-N305 VanDerWaalsContact O-CG 3.31Å; E301-N305 PolarHBondContact O-N 2.68Å; E301-N305 VanDerWaalsContact O-N 3.08Å; R302-N305 PolarHBondContact O-N 2.95Å; F303-N305 VanDerWaalsContact C-N 3.28Å; F303-N305 PolarHBondContact O-N 3.19Å; N305-R309 WeakPolarHBondContact O-CB 3.44Å; N305-R309 VanDerWaalsContact O-CG 3.27Å; N305-R309 WeakPolarHBondContact O-CG 3.39Å; N305-R309 PolarHBondContact O-N 3.12Å; N305-R309 VanDerWaalsContact O-N 3.1Å
306M62.8Low61.6Low69 Ų69114.9 Ų114.934%0.3458%0.583SS.*Hα-helixtrans-63.2-44.5173-73.3-174.4-65.900111.4R302 F303 R309 A310 T311R302-M306 WeakPolarHBondContact O-CG 3.35Å; R302-M306 PolarHBondContact O-N 3.03Å; F303-M306 HydrophobicContact CD2-CE 4.25Å; F303-M306 PolarHBondContact O-N 2.97Å; M306-R309 PolarHBondContact O-N 3.25Å; M306-A310 PolarHBondContact O-N 3.04Å; M306-T311 PolarHBondContact O-N 3.29Å
307D65.2Low63Low123 Ų123113 Ų11366%0.65858%0.577SS**Hα-helixtrans-64.9-42.7-179.5-154.630.9000111.4F303 R309 A310F303-D307 WeakPolarHBondContact O-CB 3.29Å; F303-D307 PolarHBondContact O-N 3.09Å; D307-R309 VanDerWaalsContact C-N 3.29Å; D307-R309 PolarHBondContact O-N 3.1Å; D307-A310 PolarHBondContact O-N 2.94Å
308K64Low64.2Low155 Ų155111.4 Ų111.467%0.67458%0.575SS**Hα-helixtrans-64.4-29.5173.9-79.5-178.9177.4-171.70114.1R304R304-K308 WeakPolarHBondContact O-CB 3.48Å; R304-K308 VanDerWaalsContact O-CG 3.29Å; R304-K308 WeakPolarHBondContact O-CG 3.43Å; R304-K308 PolarHBondContact O-N 3.5Å
309R63Low65.3Low125 Ų125112.2 Ų112.247%0.47257%0.574SS.*Hα-helixtrans-95.5-8.8-177-70.1178.1178.6-174.2-1.9113.3N305 M306 D307 T311N305-R309 WeakPolarHBondContact O-CB 3.44Å; N305-R309 VanDerWaalsContact O-CG 3.27Å; N305-R309 WeakPolarHBondContact O-CG 3.39Å; N305-R309 PolarHBondContact O-N 3.12Å; N305-R309 VanDerWaalsContact O-N 3.1Å; M306-R309 PolarHBondContact O-N 3.25Å; D307-R309 VanDerWaalsContact C-N 3.29Å; D307-R309 PolarHBondContact O-N 3.1Å; R309-T311 HydrophobicContact CB-CG2 4.29Å; R309-T311 WeakPolarHBondContact O-CG2 3.26Å; R309-T311 PolarHBondContact O-N 3.22Å
310A66Low66.2Low96 Ų96116.1 Ų116.179%0.79358%0.578SS**THydrogen-bonded Turntrans51.837.1-173.700000113.4M306 D307M306-A310 PolarHBondContact O-N 3.04Å; D307-A310 PolarHBondContact O-N 2.94Å
311T60.1Low67.2Low69 Ų69111.3 Ų111.342%0.42356%0.555SS.*  trans-118.1136.5-177.953.80000111.9M306 R309M306-T311 PolarHBondContact O-N 3.29Å; R309-T311 HydrophobicContact CB-CG2 4.29Å; R309-T311 WeakPolarHBondContact O-CG2 3.26Å; R309-T311 PolarHBondContact O-N 3.22Å
312T59.5Low68.5Low141 Ų141109.2 Ų109.287%0.86555%0.547SS*.  trans-95.3-8.4176.150.60000114.2
313E54.7Low70.1Confident107 Ų107102.9 Ų102.950%0.552%0.523SS..SBendtrans-111.5140.4-177.9-66.6-173.3178.500111.8R315E313-R315 HydrophobicContact CB-CG 4.25Å; E313-R315 PolarHBondContact O-N 3.08Å; E313-R315 IonicContact OE2-CZ 3.3Å; E313-R315 IonicContact OE2-NE 2.92Å; E313-R315 PolarHBondContact OE2-NE 3.33Å; E313-R315 IonicContact OE2-NH2 3.89Å; E313-R315 PolarHBondContact OE2-NH2 2.96Å; E313-R315 VanDerWaalsContact OE2-NH2 3.13Å
314D54.5Low71.4Confident139 Ų139100.3 Ų100.374%0.74351%0.513SS*.  trans-72.440.2172.7-112.9-5.8000111.7N316D314-N316 PolarHBondContact O-N 2.95Å; D314-N316 VanDerWaalsContact O-N 3.14Å
315R51.6Low72.8Confident174 Ų17496.1 Ų96.166%0.65750%0.502SS*.  trans-74.9105170.6-69.9-168-166.5-165.82.7108.2E313 T317E313-R315 HydrophobicContact CB-CG 4.25Å; E313-R315 PolarHBondContact O-N 3.08Å; E313-R315 IonicContact OE2-CZ 3.3Å; E313-R315 IonicContact OE2-NE 2.92Å; E313-R315 PolarHBondContact OE2-NE 3.33Å; E313-R315 IonicContact OE2-NH2 3.89Å; E313-R315 PolarHBondContact OE2-NH2 2.96Å; E313-R315 VanDerWaalsContact OE2-NH2 3.13Å; R315-T317 HydrophobicContact CB-CG2 4.38Å; R315-T317 PolarHBondContact O-N 3.49Å
316N62.8Low74.4Confident138 Ų13893.8 Ų93.874%0.73849%0.49SS*.  trans-73.680.6176.6-158.715.2000110D314 A318D314-N316 PolarHBondContact O-N 2.95Å; D314-N316 VanDerWaalsContact O-N 3.14Å; N316-A318 PolarHBondContact O-N 3.42Å; N316-A318 WeakPolarHBondContact OD1-CB 3.49Å
317T74.8Confident76.1Confident113 Ų11390.5 Ų90.569%0.69347%0.474SS*.  trans-80.24.3173.953.80000112.8R315R315-T317 HydrophobicContact CB-CG2 4.38Å; R315-T317 PolarHBondContact O-N 3.49Å
318A81.1Confident77.6Confident36 Ų3686.4 Ų86.430%0.29845%0.454SS..  trans-69.4134.3179.800000110.5N316 Q324N316-A318 PolarHBondContact O-N 3.42Å; N316-A318 WeakPolarHBondContact OD1-CB 3.49Å; A318-Q324 VanDerWaalsContact CA-OE1 3.28Å
319L86.9Confident79.2Confident81 Ų8180.1 Ų80.142%0.42443%0.427SS..  trans-71152.4171.2-58.7178.1000109.6C267 T321 Q324C267-L319 HydrophobicContact CB-CD1 3.81Å; C267-L319 VanDerWaalsContact SG-CD1 3.53Å; L319-T321 WeakPolarHBondContact CB-OG1 3.5Å; L319-T321 PolarHBondContact O-N 2.94Å; L319-Q324 PolarHBondContact O-NE2 3.44Å
320E88.6Confident80.9Confident168 Ų16874.6 Ų74.679%0.78541%0.407SS*.SBendtrans-70.5-13.2173-61.7-173.1164.400112.8P289P289-E320 HydrophobicContact CG-CB 3.94Å
321T92.2Very high82.4Confident24 Ų2471.1 Ų71.115%0.14738%0.377CS..SBendtrans-80.9152.4178.451.60000112C267 C268 D287 L319 H323 Q324C267-T321 WeakPolarHBondContact O-CB 3.21Å; C268-T321 HydrophobicContact CB-CG2 3.76Å; D287-T321 WeakPolarHBondContact OD2-CA 3.33Å; D287-T321 WeakPolarHBondContact OD2-CB 3.36Å; L319-T321 WeakPolarHBondContact CB-OG1 3.5Å; L319-T321 PolarHBondContact O-N 2.94Å; T321-H323 VanDerWaalsContact C-N 3.34Å; T321-H323 PolarHBondContact O-N 2.96Å; T321-H323 PolarHBondContact OG1-O 3.19Å; T321-Q324 PolarHBondContact O-NE2 3.36Å
322L92.6Very high84.2Confident55 Ų5568.9 Ų68.929%0.28836%0.362SS..SBendtrans-59.5-44.6174.3-73.1177.3000111.8M1 D287 T353 W355M1-L322 HydrophobicContact CB-CD1 4.26Å; M1-L322 HydrophobicContact SD-CD1 4.11Å; D287-L322 PolarHBondContact OD2-N 3.2Å; L322-T353 HydrophobicContact CD1-CG2 3.96Å; L322-W355 HydrophobicContact CB-CH2 4.42Å; L322-W355 HydrophobicContact CD1-CH2 3.77Å; L322-W355 HydrophobicContact CD1-CZ2 4.39Å; L322-W355 HydrophobicContact CD1-CZ3 4.07Å; L322-W355 HydrophobicContact CG-CH2 4.49Å
323H94.8Very high85.9Confident0 Ų063.4 Ų63.40%033%0.326CS..SBendtrans-78.3137.1170.4-78.2-84.4000110.1C267 T321 I327 T345 D349 A351 T353C267-H323 HydrophobicContact CB-CB 4.43Å; C267-H323 WeakPolarHBondContact O-CB 3.34Å; T321-H323 VanDerWaalsContact C-N 3.34Å; T321-H323 PolarHBondContact O-N 2.96Å; T321-H323 PolarHBondContact OG1-O 3.19Å; H323-I327 HydrophobicContact CB-CD1 4.35Å; H323-I327 HydrophobicContact CB-CG1 4.02Å; H323-T345 PolarHBondContact NE2-OG1 2.94Å; H323-D349 WeakPolarHBondContact CA-OD2 3.26Å; H323-D349 WeakPolarHBondContact CB-OD2 3.31Å; H323-D349 IonicContact CE1-OD1 2.72Å; H323-D349 IonicContact CG-OD2 2.77Å; H323-D349 IonicContact ND1-OD1 2.95Å; H323-D349 PolarHBondContact ND1-OD1 3.07Å; H323-D349 IonicContact ND1-OD2 2.68Å; H323-D349 PolarHBondContact ND1-OD2 3.25Å; H323-A351 PolarHBondContact CE1-O 3.01Å; H323-T353 PolarHBondContact NE2-OG1 3.09Å
324Q94.4Very high87.8Confident80 Ų8061.2 Ų61.237%0.37432%0.315SS..SBendtrans-1016.5-178.1-63.5-66.9-60.200112.4A318 L319 T321 D349A318-Q324 VanDerWaalsContact CA-OE1 3.28Å; L319-Q324 PolarHBondContact O-NE2 3.44Å; T321-Q324 PolarHBondContact O-NE2 3.36Å; Q324-D349 HydrophobicContact CB-CB 4.38Å; Q324-D349 PolarHBondContact N-OD2 2.82Å
325N95.4Very high89.6Confident67 Ų6758.1 Ų58.136%0.35830%0.301SS..SBendtrans-157.8178.1173.5-152.5-30.5000109.4C267 I327 I348 D349C267-N325 WeakPolarHBondContact CB-O 3.14Å; C267-N325 PolarHBondContact SG-O 3.41Å; C267-N325 VanDerWaalsContact SG-O 3.34Å; N325-I327 PolarHBondContact O-N 3.24Å; N325-I348 HydrophobicContact CB-CB 4.04Å; N325-I348 HydrophobicContact CB-CG2 4.43Å; N325-I348 WeakPolarHBondContact ND2-CG2 3.27Å; N325-D349 HydrophobicContact CB-CB 3.84Å
326S97.4Very high91.6Very high9 Ų953.7 Ų53.76%0.06329%0.29CS..  trans-55.6135.3-172.8-52.70000112G264 H265 G347 I348G264-S326 WeakPolarHBondContact O-CA 3.48Å; H265-S326 PolarHBondContact ND1-OG 2.75Å; S326-G347 VanDerWaalsContact O-CA 3.25Å; S326-G347 WeakPolarHBondContact O-CA 3.25Å; S326-I348 PolarHBondContact O-N 2.67Å
327I98.2Very high93Very high0 Ų049.1 Ų49.10%026%0.264CS..EExtended strand (participates in β ladder)trans-81.5122.5173-64.6170.6000108.1A263 G264 H323 N325 T345 T346A263-I327 HydrophobicContact CB-CB 3.73Å; A263-I327 HydrophobicContact CB-CD1 3.93Å; A263-I327 HydrophobicContact CB-CG1 4.44Å; A263-I327 HydrophobicContact CB-CG2 3.51Å; G264-I327 WeakPolarHBondContact CA-O 3.2Å; G264-I327 PolarHBondContact O-N 2.86Å; H323-I327 HydrophobicContact CB-CD1 4.35Å; H323-I327 HydrophobicContact CB-CG1 4.02Å; N325-I327 PolarHBondContact O-N 3.24Å; I327-T345 HydrophobicContact CD1-CG2 4.47Å; I327-T345 HydrophobicContact CG2-CG2 4.08Å; I327-T346 WeakPolarHBondContact CG2-O 3.07Å
328T97.5Very high93.9Very high38 Ų3848.7 Ų48.723%0.23325%0.254CS..EExtended strand (participates in β ladder)trans-97.9-27.5-174.350.70000112.8I11 T346 I348I11-T328 PolarHBondContact O-OG1 3.06Å; T328-T346 PolarHBondContact N-O 2.72Å; T328-T346 PolarHBondContact OG1-O 3.44Å; T328-I348 HydrophobicContact CG2-CD1 4.25Å; T328-I348 HydrophobicContact CG2-CG1 3.61Å
329Q98.4Very high94.4Very high22 Ų2249 Ų4910%0.10325%0.251CS..EExtended strand (participates in β ladder)trans-143.9134-176.5-166.5176.9-20.400111.8C13 H14 T345 T346C13-Q329 VanDerWaalsContact CA-OE1 3.28Å; H14-Q329 VanDerWaalsContact CE1-CD 3.47Å; H14-Q329 VanDerWaalsContact ND1-CD 3.26Å; H14-Q329 PolarHBondContact ND1-OE1 3.31Å; H14-Q329 PolarHBondContact O-NE2 2.99Å; Q329-T345 VanDerWaalsContact O-CA 3.32Å; Q329-T345 WeakPolarHBondContact O-CA 3.33Å; Q329-T346 PolarHBondContact N-O 3.38Å; Q329-T346 PolarHBondContact O-N 2.8Å; Q329-T346 VanDerWaalsContact O-N 3.08Å
330V98.3Very high94.8Very high10 Ų1045.5 Ų45.56%0.06123%0.233CC..EExtended strand (participates in β ladder)trans-112.6133.7169.7-179.10000107.7S251 V261 A263 F343 C344 T345S251-V330 PolarHBondContact OG-N 3.5Å; V261-V330 HydrophobicContact CG1-CG1 4.15Å; A263-V330 HydrophobicContact CB-CG2 3.75Å; V330-F343 HydrophobicContact CG1-CD2 4.12Å; V330-C344 WeakPolarHBondContact CA-O 3.45Å; V330-T345 HydrophobicContact CG2-CG2 4.17Å
331S97.6Very high95.1Very high22 Ų2243.6 Ų43.615%0.15422%0.218CC..EExtended strand (participates in β ladder)trans-142146.9176.668.30000112.2H14 Y333 F343 C344H14-S331 PolarHBondContact NE2-OG 3.24Å; S331-Y333 PolarHBondContact O-N 3.21Å; S331-F343 CarbonylContact O-C 3.59Å; S331-F343 WeakPolarHBondContact O-CA 3.09Å; S331-C344 PolarHBondContact N-O 2.95Å; S331-C344 PolarHBondContact O-N 2.99Å
332I96.9Very high95.3Very high23 Ų2345 Ų4512%0.11822%0.223CC..EExtended strand (participates in β ladder)trans-63.7130.3170.7-53-59.6000110.1F254 V255 K337 C340F254-I332 WeakPolarHBondContact O-CD1 3.35Å; V255-I332 HydrophobicContact CG1-CD1 4.01Å; I332-K337 HydrophobicContact CD1-CG 4.49Å; I332-K337 HydrophobicContact CG1-CG 4.08Å; I332-C340 HydrophobicContact CD1-CB 3.95Å; I332-C340 VanDerWaalsContact CD1-SG 3.58Å; I332-C340 HydrophobicContact CG2-CB 4.5Å
333Y96.4Very high95.5Very high26 Ų2642.4 Ų42.410%0.10221%0.209CC..EExtended strand (participates in β ladder)trans-101.5-51.9177.7-175.3-102.9000110.3W16 R20 S331 K342 I354W16-Y333 HydrophobicContact CD2-CD2 4.04Å; W16-Y333 HydrophobicContact CD2-CE2 4.02Å; W16-Y333 AromaticContact CE2-CD2 3.72Å; W16-Y333 AromaticContact CE2-CE2 3.86Å; W16-Y333 HydrophobicContact CE3-CD2 4.4Å; W16-Y333 AromaticContact CE3-CE2 3.91Å; W16-Y333 HydrophobicContact CE3-CE2 3.91Å; W16-Y333 HydrophobicContact CH2-CD2 4.23Å; W16-Y333 AromaticContact CH2-CE2 3.56Å; W16-Y333 HydrophobicContact CH2-CE2 3.56Å; W16-Y333 AromaticContact CZ2-CD2 3.81Å; W16-Y333 HydrophobicContact CZ2-CD2 3.81Å; W16-Y333 AromaticContact CZ2-CE2 3.63Å; W16-Y333 HydrophobicContact CZ2-CE2 3.63Å; W16-Y333 AromaticContact CZ3-CE2 3.7Å; W16-Y333 HydrophobicContact CZ3-CE2 3.7Å; R20-Y333 HydrophobicContact CB-CD2 4.22Å; R20-Y333 HydrophobicContact CB-CE1 4.47Å; R20-Y333 HydrophobicContact CB-CE2 3.62Å; R20-Y333 WeakPolarHBondContact CD-O 3.28Å; R20-Y333 HydrophobicContact CG-CD2 4.36Å; R20-Y333 HydrophobicContact CG-CE2 4.25Å; R20-Y333 WeakPolarHBondContact CG-O 3.34Å; R20-Y333 PolarHBondContact NE-O 3.02Å; R20-Y333 PolarHBondContact O-OH 3.1Å; S331-Y333 PolarHBondContact O-N 3.21Å; Y333-K342 WeakPolarHBondContact CA-O 3.42Å; Y333-K342 WeakPolarHBondContact CB-O 3.35Å; Y333-K342 HydrophobicContact CD1-CB 3.9Å; Y333-K342 HydrophobicContact CD1-CD 4.26Å; Y333-K342 PolarHBondContact N-O 2.85Å; Y333-I354 HydrophobicContact CD1-CG2 3.9Å; Y333-I354 HydrophobicContact CD2-CD1 4.32Å; Y333-I354 HydrophobicContact CE1-CD1 4.02Å; Y333-I354 HydrophobicContact CE1-CG2 4.21Å; Y333-I354 HydrophobicContact CE2-CD1 3.82Å; Y333-I354 HydrophobicContact CG-CG2 4.25Å
334E94.3Very high95.7Very high61 Ų6142.4 Ų42.429%0.28521%0.209SC..EExtended strand (participates in β ladder)trans-121.9136.6-174.5-166.3178.6145.700112.1R341 K342E334-R341 HydrophobicContact CB-CB 4.39Å; E334-R341 HydrophobicContact CG-CB 4.43Å; E334-R341 PolarHBondContact O-N 2.84Å; E334-K342 HydrophobicContact CB-CB 3.78Å; E334-K342 HydrophobicContact CB-CG 4.08Å; E334-K342 PolarHBondContact N-O 2.98Å; E334-K342 VanDerWaalsContact OE2-CD 3.26Å; E334-K342 WeakPolarHBondContact OE2-CD 3.29Å; E334-K342 WeakPolarHBondContact OE2-CE 3.36Å; E334-K342 WeakPolarHBondContact OE2-CG 3.25Å; E334-K342 IonicContact OE2-NZ 3.7Å; E334-K342 PolarHBondContact OE2-NZ 3.1Å
335V92Very high95.9Very high73 Ų7338.6 Ų38.644%0.44219%0.191SC..SBendtrans72.8-111.7-173.7-165.10000112.3D339 R341V335-D339 WeakPolarHBondContact CB-O 3.44Å; V335-D339 HydrophobicContact CG1-CB 4.14Å; V335-D339 WeakPolarHBondContact CG1-O 3.3Å; V335-R341 HydrophobicContact CG2-CB 4.28Å; V335-R341 HydrophobicContact CG2-CG 3.75Å
336D92.5Very high96Very high81 Ų8135.4 Ų35.443%0.43317%0.174SC..  trans-165.5-167-178.957.734.6000109.7Q338 D339 C340D336-Q338 VanDerWaalsContact C-N 3.26Å; D336-Q338 PolarHBondContact O-N 2.86Å; D336-Q338 WeakPolarHBondContact OD1-CA 3.45Å; D336-Q338 WeakPolarHBondContact OD1-CB 3.35Å; D336-Q338 PolarHBondContact OD1-N 3.09Å; D336-D339 PolarHBondContact OD1-N 2.81Å; D336-C340 WeakPolarHBondContact O-CA 3.47Å; D336-C340 VanDerWaalsContact O-CB 3.24Å; D336-C340 WeakPolarHBondContact O-CB 3.49Å; D336-C340 PolarHBondContact O-N 2.94Å; D336-C340 VanDerWaalsContact O-N 3.11Å
337K93.2Very high96Very high42 Ų4235 Ų3518%0.18317%0.171CC..SBendtrans-73.6-12.2179.3-66.8-178.5176.9177.30113.9D149 S211 F212 A214 V255 S256 I332D149-K337 IonicContact OD1-NZ 3.42Å; D149-K337 IonicContact OD2-NZ 3.14Å; D149-K337 PolarHBondContact OD2-NZ 3.25Å; S211-K337 PolarHBondContact OG-NZ 3.22Å; F212-K337 WeakPolarHBondContact O-CD 3.23Å; F212-K337 PolarHBondContact O-NZ 2.96Å; A214-K337 HydrophobicContact CB-CB 3.81Å; V255-K337 CarbonylContact C-O 3.48Å; S256-K337 CarbonylContact C-O 3.55Å; S256-K337 WeakPolarHBondContact CA-O 3.49Å; S256-K337 PolarHBondContact N-O 2.81Å; I332-K337 HydrophobicContact CD1-CG 4.49Å; I332-K337 HydrophobicContact CG1-CG 4.08Å
338Q93.1Very high95.9Very high105 Ų10537.7 Ų37.749%0.49119%0.185SC..SBendtrans-83.3-42.1-178.6-174.371.438.400111.1A214 D336A214-Q338 HydrophobicContact CB-CB 3.9Å; D336-Q338 VanDerWaalsContact C-N 3.26Å; D336-Q338 PolarHBondContact O-N 2.86Å; D336-Q338 WeakPolarHBondContact OD1-CA 3.45Å; D336-Q338 WeakPolarHBondContact OD1-CB 3.35Å; D336-Q338 PolarHBondContact OD1-N 3.09Å
339D91.7Very high95.7Very high43 Ų4336.8 Ų36.823%0.2318%0.179CC..SBendtrans-137.957.3-179.6177.832.1000110.4V335 D336 R341V335-D339 WeakPolarHBondContact CB-O 3.44Å; V335-D339 HydrophobicContact CG1-CB 4.14Å; V335-D339 WeakPolarHBondContact CG1-O 3.3Å; D336-D339 PolarHBondContact OD1-N 2.81Å; D339-R341 PolarHBondContact O-N 2.74Å; D339-R341 VanDerWaalsContact O-N 3.15Å; D339-R341 IonicContact OD2-CZ 3.39Å; D339-R341 IonicContact OD2-NE 2.97Å; D339-R341 PolarHBondContact OD2-NE 3.01Å; D339-R341 IonicContact OD2-NH2 2.82Å; D339-R341 PolarHBondContact OD2-NH2 3.15Å
340C94.7Very high95.6Very high6 Ų635.7 Ų35.74%0.04117%0.174CC..  trans-64120.5-177.8177.30000110.1V255 I332 D336 K342 F357V255-C340 HydrophobicContact CB-CB 3.8Å; V255-C340 HydrophobicContact CG1-CB 4.26Å; V255-C340 WeakPolarHBondContact O-CB 3.48Å; V255-C340 PolarHBondContact O-N 3.17Å; V255-C340 VanDerWaalsContact O-N 3.14Å; I332-C340 HydrophobicContact CD1-CB 3.95Å; I332-C340 VanDerWaalsContact CD1-SG 3.58Å; I332-C340 HydrophobicContact CG2-CB 4.5Å; D336-C340 WeakPolarHBondContact O-CA 3.47Å; D336-C340 VanDerWaalsContact O-CB 3.24Å; D336-C340 WeakPolarHBondContact O-CB 3.49Å; D336-C340 PolarHBondContact O-N 2.94Å; D336-C340 VanDerWaalsContact O-N 3.11Å; C340-K342 PolarHBondContact SG-O 2.85Å; C340-F357 HydrophobicContact CB-CE2 4.28Å; C340-F357 WeakPolarHBondContact O-CD2 3.35Å
341R95.4Very high95.5Very high128 Ų12835.2 Ų35.248%0.48317%0.171SC..  trans-95.5-35.3176.8-65.2-178.5-175.4-174.8-0.4113.1E334 V335 D339 F357E334-R341 HydrophobicContact CB-CB 4.39Å; E334-R341 HydrophobicContact CG-CB 4.43Å; E334-R341 PolarHBondContact O-N 2.84Å; V335-R341 HydrophobicContact CG2-CB 4.28Å; V335-R341 HydrophobicContact CG2-CG 3.75Å; D339-R341 PolarHBondContact O-N 2.74Å; D339-R341 VanDerWaalsContact O-N 3.15Å; D339-R341 IonicContact OD2-CZ 3.39Å; D339-R341 IonicContact OD2-NE 2.97Å; D339-R341 PolarHBondContact OD2-NE 3.01Å; D339-R341 IonicContact OD2-NH2 2.82Å; D339-R341 PolarHBondContact OD2-NH2 3.15Å; R341-F357 PolarHBondContact O-N 2.87Å
342K96.7Very high95.4Very high54 Ų5434.2 Ų34.224%0.23516%0.164CC..EExtended strand (participates in β ladder)trans-137.2142.5178.3-57.7-165-179.5111.20110.6Y333 E334 C340 I354 W355 D356Y333-K342 WeakPolarHBondContact CA-O 3.42Å; Y333-K342 WeakPolarHBondContact CB-O 3.35Å; Y333-K342 HydrophobicContact CD1-CB 3.9Å; Y333-K342 HydrophobicContact CD1-CD 4.26Å; Y333-K342 PolarHBondContact N-O 2.85Å; E334-K342 HydrophobicContact CB-CB 3.78Å; E334-K342 HydrophobicContact CB-CG 4.08Å; E334-K342 PolarHBondContact N-O 2.98Å; E334-K342 VanDerWaalsContact OE2-CD 3.26Å; E334-K342 WeakPolarHBondContact OE2-CD 3.29Å; E334-K342 WeakPolarHBondContact OE2-CE 3.36Å; E334-K342 WeakPolarHBondContact OE2-CG 3.25Å; E334-K342 IonicContact OE2-NZ 3.7Å; E334-K342 PolarHBondContact OE2-NZ 3.1Å; C340-K342 PolarHBondContact SG-O 2.85Å; K342-I354 HydrophobicContact CB-CG2 4.26Å; K342-I354 HydrophobicContact CD-CG2 4.09Å; K342-W355 CarbonylContact C-O 3.51Å; K342-W355 WeakPolarHBondContact CA-O 3.32Å; K342-W355 VanDerWaalsContact CB-O 3.26Å; K342-W355 WeakPolarHBondContact CB-O 3.32Å; K342-D356 HydrophobicContact CD-CB 4.25Å; K342-D356 WeakPolarHBondContact CE-OD2 3.48Å; K342-D356 HydrophobicContact CG-CB 4.16Å
343F97.4Very high95.3Very high0 Ų033.1 Ų33.10%016%0.158CC..EExtended strand (participates in β ladder)trans-127.1163.1172.269.2-86.5000110.5V261 P269 L286 V330 S331 T345 I354 W355 F357 L360V261-F343 HydrophobicContact CG1-CD2 4.31Å; V261-F343 HydrophobicContact CG1-CE2 3.86Å; V261-F343 HydrophobicContact CG1-CZ 4.05Å; V261-F343 HydrophobicContact CG2-CE1 4.38Å; P269-F343 HydrophobicContact CB-CE2 3.89Å; P269-F343 HydrophobicContact CB-CZ 4.06Å; P269-F343 HydrophobicContact CG-CE2 4.07Å; P269-F343 HydrophobicContact CG-CZ 4.11Å; L286-F343 HydrophobicContact CD1-CE1 4.02Å; L286-F343 HydrophobicContact CD1-CZ 3.72Å; V330-F343 HydrophobicContact CG1-CD2 4.12Å; S331-F343 CarbonylContact O-C 3.59Å; S331-F343 WeakPolarHBondContact O-CA 3.09Å; F343-T345 HydrophobicContact CD2-CG2 4.12Å; F343-T345 HydrophobicContact CE2-CG2 3.93Å; F343-I354 WeakPolarHBondContact O-CA 3.46Å; F343-W355 HydrophobicContact CD1-CB 3.71Å; F343-W355 HydrophobicContact CD1-CG 4.46Å; F343-W355 HydrophobicContact CD2-CB 4.05Å; F343-W355 AromaticContact CD2-CD1 3.54Å; F343-W355 AromaticContact CD2-CG 3.97Å; F343-W355 HydrophobicContact CD2-CG 3.97Å; F343-W355 HydrophobicContact CE1-CB 3.3Å; F343-W355 AromaticContact CE1-CG 3.92Å; F343-W355 HydrophobicContact CE1-CG 3.92Å; F343-W355 HydrophobicContact CE2-CB 3.67Å; F343-W355 AromaticContact CE2-CD1 3.18Å; F343-W355 HydrophobicContact CE2-CD2 4.07Å; F343-W355 AromaticContact CE2-CG 3.36Å; F343-W355 HydrophobicContact CE2-CG 3.36Å; F343-W355 AromaticContact CE2-NE1 3.8Å; F343-W355 HydrophobicContact CG-CB 4.07Å; F343-W355 HydrophobicContact CG-CG 4.48Å; F343-W355 HydrophobicContact CZ-CB 3.27Å; F343-W355 AromaticContact CZ-CD1 3.7Å; F343-W355 AromaticContact CZ-CD2 3.93Å; F343-W355 HydrophobicContact CZ-CD2 3.93Å; F343-W355 AromaticContact CZ-CG 3.33Å; F343-W355 HydrophobicContact CZ-CG 3.33Å; F343-W355 PolarHBondContact N-O 3.14Å; F343-W355 VanDerWaalsContact N-O 3.08Å; F343-W355 PolarHBondContact O-N 3.25Å; F343-F357 HydrophobicContact CD1-CD2 4.32Å; F343-F357 AromaticContact CD1-CE1 3.91Å; F343-F357 HydrophobicContact CD1-CE1 3.91Å; F343-F357 AromaticContact CD1-CE2 3.64Å; F343-F357 HydrophobicContact CD1-CE2 3.64Å; F343-F357 AromaticContact CD1-CZ 3.43Å; F343-F357 HydrophobicContact CD1-CZ 3.43Å; F343-F357 VanDerWaalsContact CD1-CZ 3.43Å; F343-F357 HydrophobicContact CE1-CD1 4.17Å; F343-F357 AromaticContact CE1-CE1 3.5Å; F343-F357 HydrophobicContact CE1-CE1 3.5Å; F343-F357 HydrophobicContact CE1-CE2 4.13Å; F343-F357 AromaticContact CE1-CZ 3.5Å; F343-F357 HydrophobicContact CE1-CZ 3.5Å; F343-L360 HydrophobicContact CE1-CD1 4.17Å
344C97.8Very high95.3Very high0 Ų032.5 Ų32.50%016%0.157CC..EExtended strand (participates in β ladder)trans-121.7141-177.1175.80000109.5V330 S331 M352 T353V330-C344 WeakPolarHBondContact CA-O 3.45Å; S331-C344 PolarHBondContact N-O 2.95Å; S331-C344 PolarHBondContact O-N 2.99Å; C344-M352 WeakPolarHBondContact SG-CG 3.49Å; C344-T353 CarbonylContact C-O 3.49Å; C344-T353 VanDerWaalsContact CA-O 3.29Å; C344-T353 WeakPolarHBondContact CA-O 3.45Å
345T98.4Very high95.4Very high0 Ų029.6 Ų29.60%014%0.143CC..EExtended strand (participates in β ladder)trans-123.4143.7170.3580000110.7H323 I327 Q329 V330 F343 M352 T353 W355H323-T345 PolarHBondContact NE2-OG1 2.94Å; I327-T345 HydrophobicContact CD1-CG2 4.47Å; I327-T345 HydrophobicContact CG2-CG2 4.08Å; Q329-T345 VanDerWaalsContact O-CA 3.32Å; Q329-T345 WeakPolarHBondContact O-CA 3.33Å; V330-T345 HydrophobicContact CG2-CG2 4.17Å; F343-T345 HydrophobicContact CD2-CG2 4.12Å; F343-T345 HydrophobicContact CE2-CG2 3.93Å; T345-M352 CarbonylContact O-C 3.53Å; T345-M352 VanDerWaalsContact O-CA 3.28Å; T345-M352 WeakPolarHBondContact O-CA 3.39Å; T345-T353 PolarHBondContact N-O 2.75Å; T345-T353 PolarHBondContact O-N 3.21Å; T345-W355 PolarHBondContact OG1-NE1 3.34Å
346T98.1Very high95.5Very high0 Ų027.9 Ų27.90%013%0.131CC..EExtended strand (participates in β ladder)trans-129.1152.6169.1580000109.9I11 H14 I327 T328 Q329 A351 M352I11-T346 HydrophobicContact CD1-CG2 4.32Å; I11-T346 HydrophobicContact CG2-CG2 4.14Å; H14-T346 HydrophobicContact CB-CG2 4.28Å; H14-T346 WeakPolarHBondContact ND1-CG2 3.16Å; H14-T346 PolarHBondContact ND1-OG1 3.14Å; I327-T346 WeakPolarHBondContact CG2-O 3.07Å; T328-T346 PolarHBondContact N-O 2.72Å; T328-T346 PolarHBondContact OG1-O 3.44Å; Q329-T346 PolarHBondContact N-O 3.38Å; Q329-T346 PolarHBondContact O-N 2.8Å; Q329-T346 VanDerWaalsContact O-N 3.08Å; T346-A351 WeakPolarHBondContact CA-O 3.46Å; T346-M352 HydrophobicContact CG2-CB 4.02Å; T346-M352 HydrophobicContact CG2-CG 3.94Å
347G96.9Very high95.6Very high0 Ų024.4 Ų24.40%011%0.112CC..EExtended strand (participates in β ladder)trans-140.9176.4-173.700000115.2I11 S326 D349 G350 A351I11-G347 PolarHBondContact N-O 2.85Å; I11-G347 VanDerWaalsContact N-O 3.09Å; S326-G347 VanDerWaalsContact O-CA 3.25Å; S326-G347 WeakPolarHBondContact O-CA 3.25Å; G347-D349 WeakPolarHBondContact CA-OD1 3.42Å; G347-D349 PolarHBondContact O-N 2.89Å; G347-G350 PolarHBondContact O-N 2.99Å; G347-A351 PolarHBondContact N-O 2.95Å
348I96.3Very high95.5Very high58 Ų5830.5 Ų30.530%0.29714%0.139SC..THydrogen-bonded Turntrans-63.7-20.2174.2-59-177.1000111.3P10 N325 S326 T328 G350P10-I348 VanDerWaalsContact CA-O 3.25Å; P10-I348 WeakPolarHBondContact CA-O 3.26Å; P10-I348 HydrophobicContact CB-CB 4.46Å; P10-I348 HydrophobicContact CB-CG2 4.16Å; P10-I348 HydrophobicContact CG-CG2 3.8Å; P10-I348 WeakPolarHBondContact CG-O 3.33Å; N325-I348 HydrophobicContact CB-CB 4.04Å; N325-I348 HydrophobicContact CB-CG2 4.43Å; N325-I348 WeakPolarHBondContact ND2-CG2 3.27Å; S326-I348 PolarHBondContact O-N 2.67Å; T328-I348 HydrophobicContact CG2-CD1 4.25Å; T328-I348 HydrophobicContact CG2-CG1 3.61Å; I348-G350 PolarHBondContact O-N 2.62Å
349D94.5Very high95.5Very high18 Ų1828 Ų2810%0.09613%0.131CC..THydrogen-bonded Turntrans-75.30.9176.362.5-13.7000114Q5 H323 Q324 N325 G347 A351Q5-D349 PolarHBondContact NE2-O 2.85Å; H323-D349 WeakPolarHBondContact CA-OD2 3.26Å; H323-D349 WeakPolarHBondContact CB-OD2 3.31Å; H323-D349 IonicContact CE1-OD1 2.72Å; H323-D349 IonicContact CG-OD2 2.77Å; H323-D349 IonicContact ND1-OD1 2.95Å; H323-D349 PolarHBondContact ND1-OD1 3.07Å; H323-D349 IonicContact ND1-OD2 2.68Å; H323-D349 PolarHBondContact ND1-OD2 3.25Å; Q324-D349 HydrophobicContact CB-CB 4.38Å; Q324-D349 PolarHBondContact N-OD2 2.82Å; N325-D349 HydrophobicContact CB-CB 3.84Å; G347-D349 WeakPolarHBondContact CA-OD1 3.42Å; G347-D349 PolarHBondContact O-N 2.89Å; D349-A351 PolarHBondContact O-N 3.11Å; D349-A351 PolarHBondContact OD1-N 3.25Å
350G95.1Very high95.5Very high0 Ų026 Ų260%012%0.12CC..SBendtrans74.511.8179.400000114.2F6 L7 E9 G347 I348F6-G350 PolarHBondContact N-O 3.34Å; L7-G350 PolarHBondContact N-O 2.73Å; E9-G350 WeakPolarHBondContact O-CA 3.29Å; E9-G350 PolarHBondContact O-N 3.28Å; G347-G350 PolarHBondContact O-N 2.99Å; I348-G350 PolarHBondContact O-N 2.62Å
351A95.7Very high95.3Very high0 Ų028.6 Ų28.60%013%0.132CC..EExtended strand (participates in β ladder)trans-103.9155.8-17700000112.4L3 H4 H323 T346 G347 D349L3-A351 HydrophobicContact CD1-CB 3.72Å; H4-A351 WeakPolarHBondContact O-CA 3.41Å; H323-A351 PolarHBondContact CE1-O 3.01Å; T346-A351 WeakPolarHBondContact CA-O 3.46Å; G347-A351 PolarHBondContact N-O 2.95Å; D349-A351 PolarHBondContact O-N 3.11Å; D349-A351 PolarHBondContact OD1-N 3.25Å
352M96.1Very high95Very high1 Ų127.3 Ų27.31%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-126.1132.2170.5-179.8-86.3-6900109.5L3 H4 F6 W16 I23 W42 C344 T345 T346 I354L3-M352 CarbonylContact C-O 3.57Å; H4-M352 HydrophobicContact CB-CE 4.26Å; H4-M352 PolarHBondContact N-O 3.14Å; H4-M352 PolarHBondContact O-N 3.35Å; F6-M352 HydrophobicContact CD2-CB 3.98Å; F6-M352 HydrophobicContact CE2-CB 3.65Å; F6-M352 HydrophobicContact CE2-CE 3.83Å; F6-M352 HydrophobicContact CE2-CG 4.27Å; F6-M352 HydrophobicContact CZ-CE 4.08Å; W16-M352 HydrophobicContact CH2-CE 4.17Å; W16-M352 HydrophobicContact CZ2-CE 4.24Å; W16-M352 HydrophobicContact CZ2-SD 4.22Å; I23-M352 HydrophobicContact CD1-CG 4.19Å; W42-M352 HydrophobicContact CZ2-CE 4.09Å; C344-M352 WeakPolarHBondContact SG-CG 3.49Å; T345-M352 CarbonylContact O-C 3.53Å; T345-M352 VanDerWaalsContact O-CA 3.28Å; T345-M352 WeakPolarHBondContact O-CA 3.39Å; T346-M352 HydrophobicContact CG2-CB 4.02Å; T346-M352 HydrophobicContact CG2-CG 3.94Å; M352-I354 HydrophobicContact CE-CD1 4.48Å; M352-I354 HydrophobicContact CE-CG1 4.48Å; M352-I354 HydrophobicContact SD-CD1 4.23Å; M352-I354 HydrophobicContact SD-CG1 3.62Å
353T96.1Very high94.5Very high0 Ų027.7 Ų27.70%015%0.151CC..EExtended strand (participates in β ladder)trans-123.1130.6177-52.80000110.9S2 L3 L322 H323 C344 T345 W355S2-T353 WeakPolarHBondContact O-CA 3.47Å; L3-T353 WeakPolarHBondContact CD1-OG1 3.41Å; L322-T353 HydrophobicContact CD1-CG2 3.96Å; H323-T353 PolarHBondContact NE2-OG1 3.09Å; C344-T353 CarbonylContact C-O 3.49Å; C344-T353 VanDerWaalsContact CA-O 3.29Å; C344-T353 WeakPolarHBondContact CA-O 3.45Å; T345-T353 PolarHBondContact N-O 2.75Å; T345-T353 PolarHBondContact O-N 3.21Å; T353-W355 HydrophobicContact CG2-CD2 3.99Å; T353-W355 VanDerWaalsContact CG2-CE2 3.43Å; T353-W355 HydrophobicContact CG2-CG 4.41Å; T353-W355 HydrophobicContact CG2-CH2 4.27Å; T353-W355 HydrophobicContact CG2-CZ2 3.59Å; T353-W355 PolarHBondContact O-NE1 3.04Å
354I95.8Very high94Very high13 Ų1328.6 Ų28.67%0.06716%0.156CC..EExtended strand (participates in β ladder)trans-98.3125.4168.3-55.1172.9000109.1M1 S2 Y333 K342 F343 M352M1-I354 CarbonylContact C-O 3.46Å; M1-I354 WeakPolarHBondContact CA-O 3.34Å; S2-I354 PolarHBondContact N-O 2.85Å; S2-I354 PolarHBondContact O-N 2.94Å; Y333-I354 HydrophobicContact CD1-CG2 3.9Å; Y333-I354 HydrophobicContact CD2-CD1 4.32Å; Y333-I354 HydrophobicContact CE1-CD1 4.02Å; Y333-I354 HydrophobicContact CE1-CG2 4.21Å; Y333-I354 HydrophobicContact CE2-CD1 3.82Å; Y333-I354 HydrophobicContact CG-CG2 4.25Å; K342-I354 HydrophobicContact CB-CG2 4.26Å; K342-I354 HydrophobicContact CD-CG2 4.09Å; F343-I354 WeakPolarHBondContact O-CA 3.46Å; M352-I354 HydrophobicContact CE-CD1 4.48Å; M352-I354 HydrophobicContact CE-CG1 4.48Å; M352-I354 HydrophobicContact SD-CD1 4.23Å; M352-I354 HydrophobicContact SD-CG1 3.62Å
355W96.2Very high93.2Very high0 Ų038.1 Ų38.10%020%0.201CC..EExtended strand (participates in β ladder)trans-107.6137.2-178.9-52.584.8000109M1 P269 D287 L322 K342 F343 T345 T353 L360M1-W355 HydrophobicContact CG-CE3 3.9Å; M1-W355 HydrophobicContact CG-CZ3 4.33Å; M1-W355 HydrophobicContact SD-CE3 3.47Å; M1-W355 HydrophobicContact SD-CH2 4.47Å; M1-W355 HydrophobicContact SD-CZ3 3.37Å; M1-W355 WeakPolarHBondContact SD-CZ3 3.33Å; P269-W355 HydrophobicContact CG-CD2 3.91Å; P269-W355 HydrophobicContact CG-CE3 4.04Å; P269-W355 HydrophobicContact CG-CH2 3.71Å; P269-W355 HydrophobicContact CG-CZ2 3.54Å; P269-W355 HydrophobicContact CG-CZ3 3.94Å; D287-W355 HydrophobicContact CB-CH2 3.82Å; D287-W355 HydrophobicContact CB-CZ3 3.99Å; L322-W355 HydrophobicContact CB-CH2 4.42Å; L322-W355 HydrophobicContact CD1-CH2 3.77Å; L322-W355 HydrophobicContact CD1-CZ2 4.39Å; L322-W355 HydrophobicContact CD1-CZ3 4.07Å; L322-W355 HydrophobicContact CG-CH2 4.49Å; K342-W355 CarbonylContact C-O 3.51Å; K342-W355 WeakPolarHBondContact CA-O 3.32Å; K342-W355 VanDerWaalsContact CB-O 3.26Å; K342-W355 WeakPolarHBondContact CB-O 3.32Å; F343-W355 HydrophobicContact CD1-CB 3.71Å; F343-W355 HydrophobicContact CD1-CG 4.46Å; F343-W355 HydrophobicContact CD2-CB 4.05Å; F343-W355 AromaticContact CD2-CD1 3.54Å; F343-W355 AromaticContact CD2-CG 3.97Å; F343-W355 HydrophobicContact CD2-CG 3.97Å; F343-W355 HydrophobicContact CE1-CB 3.3Å; F343-W355 AromaticContact CE1-CG 3.92Å; F343-W355 HydrophobicContact CE1-CG 3.92Å; F343-W355 HydrophobicContact CE2-CB 3.67Å; F343-W355 AromaticContact CE2-CD1 3.18Å; F343-W355 HydrophobicContact CE2-CD2 4.07Å; F343-W355 AromaticContact CE2-CG 3.36Å; F343-W355 HydrophobicContact CE2-CG 3.36Å; F343-W355 AromaticContact CE2-NE1 3.8Å; F343-W355 HydrophobicContact CG-CB 4.07Å; F343-W355 HydrophobicContact CG-CG 4.48Å; F343-W355 HydrophobicContact CZ-CB 3.27Å; F343-W355 AromaticContact CZ-CD1 3.7Å; F343-W355 AromaticContact CZ-CD2 3.93Å; F343-W355 HydrophobicContact CZ-CD2 3.93Å; F343-W355 AromaticContact CZ-CG 3.33Å; F343-W355 HydrophobicContact CZ-CG 3.33Å; F343-W355 PolarHBondContact N-O 3.14Å; F343-W355 VanDerWaalsContact N-O 3.08Å; F343-W355 PolarHBondContact O-N 3.25Å; T345-W355 PolarHBondContact OG1-NE1 3.34Å; T353-W355 HydrophobicContact CG2-CD2 3.99Å; T353-W355 VanDerWaalsContact CG2-CE2 3.43Å; T353-W355 HydrophobicContact CG2-CG 4.41Å; T353-W355 HydrophobicContact CG2-CH2 4.27Å; T353-W355 HydrophobicContact CG2-CZ2 3.59Å; T353-W355 PolarHBondContact O-NE1 3.04Å; W355-L360 HydrophobicContact CB-CD1 4.36Å
356D94.7Very high92.3Very high36 Ų3641.7 Ų41.719%0.19324%0.238CC..EExtended strand (participates in β ladder)trans-120.9114.4-177.6179.5-21.8000108.4K342 K358 T359 L360K342-D356 HydrophobicContact CD-CB 4.25Å; K342-D356 WeakPolarHBondContact CE-OD2 3.48Å; K342-D356 HydrophobicContact CG-CB 4.16Å; D356-K358 VanDerWaalsContact C-N 3.29Å; D356-K358 PolarHBondContact O-N 2.88Å; D356-K358 WeakPolarHBondContact OD1-CB 3.21Å; D356-K358 PolarHBondContact OD1-N 3.26Å; D356-T359 WeakPolarHBondContact O-CB 3.31Å; D356-T359 PolarHBondContact O-N 2.77Å; D356-T359 VanDerWaalsContact O-N 3.09Å; D356-T359 PolarHBondContact OD1-N 3.2Å; D356-L360 WeakPolarHBondContact O-CG 3.38Å; D356-L360 PolarHBondContact O-N 3.47Å
357F93.7Very high91.7Very high9 Ų942.1 Ų42.14%0.03924%0.24CC..Hα-helixtrans-63.1-35.4-175.7-75.5-57000112.7V255 V261 L286 C340 R341 F343 T359 L360 E361 I369V255-F357 HydrophobicContact CB-CE2 3.92Å; V255-F357 HydrophobicContact CB-CZ 3.99Å; V255-F357 HydrophobicContact CG1-CE2 4.06Å; V255-F357 HydrophobicContact CG1-CZ 3.96Å; V255-F357 HydrophobicContact CG2-CE2 4.24Å; V255-F357 HydrophobicContact CG2-CZ 3.9Å; V261-F357 HydrophobicContact CG2-CE1 4.2Å; V261-F357 HydrophobicContact CG2-CZ 3.76Å; L286-F357 HydrophobicContact CD1-CE1 4.15Å; C340-F357 HydrophobicContact CB-CE2 4.28Å; C340-F357 WeakPolarHBondContact O-CD2 3.35Å; R341-F357 PolarHBondContact O-N 2.87Å; F343-F357 HydrophobicContact CD1-CD2 4.32Å; F343-F357 AromaticContact CD1-CE1 3.91Å; F343-F357 HydrophobicContact CD1-CE1 3.91Å; F343-F357 AromaticContact CD1-CE2 3.64Å; F343-F357 HydrophobicContact CD1-CE2 3.64Å; F343-F357 AromaticContact CD1-CZ 3.43Å; F343-F357 HydrophobicContact CD1-CZ 3.43Å; F343-F357 VanDerWaalsContact CD1-CZ 3.43Å; F343-F357 HydrophobicContact CE1-CD1 4.17Å; F343-F357 AromaticContact CE1-CE1 3.5Å; F343-F357 HydrophobicContact CE1-CE1 3.5Å; F343-F357 HydrophobicContact CE1-CE2 4.13Å; F343-F357 AromaticContact CE1-CZ 3.5Å; F343-F357 HydrophobicContact CE1-CZ 3.5Å; F357-T359 PolarHBondContact O-N 2.97Å; F357-L360 HydrophobicContact CD1-CD1 3.84Å; F357-L360 HydrophobicContact CE1-CD1 4.3Å; F357-L360 PolarHBondContact O-N 2.8Å; F357-L360 VanDerWaalsContact O-N 3.07Å; F357-E361 WeakPolarHBondContact O-CB 3.45Å; F357-E361 WeakPolarHBondContact O-CG 2.88Å; F357-E361 PolarHBondContact O-N 2.95Å; F357-I369 HydrophobicContact CB-CD1 4.19Å; F357-I369 HydrophobicContact CD1-CD1 3Å; F357-I369 HydrophobicContact CD1-CG1 4.47Å; F357-I369 HydrophobicContact CE1-CD1 3.25Å; F357-I369 HydrophobicContact CG-CD1 3.69Å; F357-I369 HydrophobicContact CZ-CD1 4.11Å
358K92.3Very high90.8Very high169 Ų16952.1 Ų52.174%0.73528%0.277SS*.Hα-helixtrans-60.3-39.6175.2-177179.7179.8177.50111.3D356 S362D356-K358 VanDerWaalsContact C-N 3.29Å; D356-K358 PolarHBondContact O-N 2.88Å; D356-K358 WeakPolarHBondContact OD1-CB 3.21Å; D356-K358 PolarHBondContact OD1-N 3.26Å; K358-S362 PolarHBondContact O-N 2.57Å
359T91.3Very high89.6Confident53 Ų5350.1 Ų50.133%0.32527%0.267SS..Hα-helixtrans-69.6-41.8175.2-56.80000111D356 F357 S362 S363D356-T359 WeakPolarHBondContact O-CB 3.31Å; D356-T359 PolarHBondContact O-N 2.77Å; D356-T359 VanDerWaalsContact O-N 3.09Å; D356-T359 PolarHBondContact OD1-N 3.2Å; F357-T359 PolarHBondContact O-N 2.97Å; T359-S362 PolarHBondContact O-N 2.95Å; T359-S362 PolarHBondContact O-OG 2.68Å; T359-S363 PolarHBondContact O-N 3.08Å; T359-S363 PolarHBondContact O-OG 3.37Å
360L92.7Very high88Confident1 Ų157.6 Ų57.61%0.00530%0.304CS..Hα-helixtrans-63.4-47.8180-69.4170.2000112M1 L286 F343 W355 D356 F357 S362 S363 I364 L367M1-L360 HydrophobicContact SD-CD2 4.01Å; L286-L360 HydrophobicContact CB-CD1 4.26Å; L286-L360 HydrophobicContact CB-CD2 4.38Å; L286-L360 HydrophobicContact CD1-CD1 4.26Å; L286-L360 HydrophobicContact CD2-CD1 4.38Å; L286-L360 WeakPolarHBondContact O-CD2 3.45Å; F343-L360 HydrophobicContact CE1-CD1 4.17Å; W355-L360 HydrophobicContact CB-CD1 4.36Å; D356-L360 WeakPolarHBondContact O-CG 3.38Å; D356-L360 PolarHBondContact O-N 3.47Å; F357-L360 HydrophobicContact CD1-CD1 3.84Å; F357-L360 HydrophobicContact CE1-CD1 4.3Å; F357-L360 PolarHBondContact O-N 2.8Å; F357-L360 VanDerWaalsContact O-N 3.07Å; L360-S362 PolarHBondContact O-N 3.37Å; L360-S363 WeakPolarHBondContact CA-OG 3.36Å; L360-S363 CarbonylContact O-C 3.53Å; L360-S363 PolarHBondContact O-N 2.86Å; L360-S363 PolarHBondContact O-OG 2.86Å; L360-I364 HydrophobicContact CD2-CD1 4.39Å; L360-I364 PolarHBondContact O-N 3.24Å; L360-L367 HydrophobicContact CB-CD2 4Å
361E90.8Very high87.7Confident61 Ų6160.5 Ų60.529%0.28532%0.319SS..Hα-helixtrans-58.2-36.4176.7-71.4179.514900112.1F357 S363 L367 I369F357-E361 WeakPolarHBondContact O-CB 3.45Å; F357-E361 WeakPolarHBondContact O-CG 2.88Å; F357-E361 PolarHBondContact O-N 2.95Å; E361-S363 VanDerWaalsContact C-N 3.29Å; E361-S363 PolarHBondContact O-N 2.72Å; E361-L367 HydrophobicContact CG-CD2 4.39Å; E361-L367 HydrophobicContact CG-CG 4.37Å; E361-I369 PolarHBondContact OE1-N 3.03Å; E361-I369 VanDerWaalsContact OE1-N 3.09Å
362S88.5Confident87.2Confident100 Ų10063.7 Ų63.770%0.69934%0.336SS*.Hα-helixtrans-71.4-22.4174.774.60000114K358 T359 L360K358-S362 PolarHBondContact O-N 2.57Å; T359-S362 PolarHBondContact O-N 2.95Å; T359-S362 PolarHBondContact O-OG 2.68Å; L360-S362 PolarHBondContact O-N 3.37Å
363S85.9Confident86.8Confident62 Ų6267.2 Ų67.243%0.43435%0.354SS..Hα-helixtrans-102.3-21.7-173.866.70000114.5T359 L360 E361T359-S363 PolarHBondContact O-N 3.08Å; T359-S363 PolarHBondContact O-OG 3.37Å; L360-S363 WeakPolarHBondContact CA-OG 3.36Å; L360-S363 CarbonylContact O-C 3.53Å; L360-S363 PolarHBondContact O-N 2.86Å; L360-S363 PolarHBondContact O-OG 2.86Å; E361-S363 VanDerWaalsContact C-N 3.29Å; E361-S363 PolarHBondContact O-N 2.72Å
364I86.6Confident86.2Confident20 Ų2071.1 Ų71.110%0.10338%0.375CS..SBendtrans-114.6107.8-176.6-59.5174.5000107.6L286 V288 L360 G366 L367L286-I364 HydrophobicContact CD2-CD1 4.23Å; V288-I364 HydrophobicContact CG2-CD1 3.92Å; V288-I364 HydrophobicContact CG2-CG1 3.97Å; L360-I364 HydrophobicContact CD2-CD1 4.39Å; L360-I364 PolarHBondContact O-N 3.24Å; I364-G366 PolarHBondContact O-N 2.92Å; I364-L367 HydrophobicContact CB-CB 3.94Å; I364-L367 HydrophobicContact CB-CD2 4.05Å; I364-L367 HydrophobicContact CD1-CD2 4Å; I364-L367 HydrophobicContact CG1-CD2 4.5Å; I364-L367 HydrophobicContact CG2-CB 3.93Å; I364-L367 HydrophobicContact CG2-CD2 4.45Å; I364-L367 WeakPolarHBondContact O-CB 3.37Å; I364-L367 PolarHBondContact O-N 3.29Å; I364-L367 VanDerWaalsContact O-N 3.16Å
365Q82.1Confident85.6Confident200 Ų20074.8 Ų74.894%0.93539%0.394SS*.THydrogen-bonded Turntrans-58.2125.8-178.8-173.9177.21.700110.8
366G80Confident84.9Confident75 Ų7579.7 Ų79.777%0.77342%0.421SS*.THydrogen-bonded Turntrans86.3-3.3177.600000115.4I364 R368I364-G366 PolarHBondContact O-N 2.92Å; G366-R368 PolarHBondContact O-N 3.31Å
367L85.6Confident84.2Confident9 Ų982.9 Ų82.95%0.04744%0.437CS..  trans-71.7122.2175.2-170.569000110.5L271 V283 L286 L360 E361 I364 I369L271-L367 HydrophobicContact CD2-CD1 3.48Å; L271-L367 VanDerWaalsContact CD2-CD1 3.48Å; V283-L367 HydrophobicContact CG1-CD1 3.8Å; L286-L367 HydrophobicContact CD2-CD1 4.43Å; L286-L367 HydrophobicContact CD2-CD2 4Å; L360-L367 HydrophobicContact CB-CD2 4Å; E361-L367 HydrophobicContact CG-CD2 4.39Å; E361-L367 HydrophobicContact CG-CG 4.37Å; I364-L367 HydrophobicContact CB-CB 3.94Å; I364-L367 HydrophobicContact CB-CD2 4.05Å; I364-L367 HydrophobicContact CD1-CD2 4Å; I364-L367 HydrophobicContact CG1-CD2 4.5Å; I364-L367 HydrophobicContact CG2-CB 3.93Å; I364-L367 HydrophobicContact CG2-CD2 4.45Å; I364-L367 WeakPolarHBondContact O-CB 3.37Å; I364-L367 PolarHBondContact O-N 3.29Å; I364-L367 VanDerWaalsContact O-N 3.16Å; L367-I369 HydrophobicContact CD2-CD1 4.44Å; L367-I369 HydrophobicContact CG-CD1 4.46Å; L367-I369 HydrophobicContact CG-CG1 4.4Å
368R76.5Confident83.5Confident209 Ų20988.5 Ų88.579%0.78947%0.468SS*.  trans-139.3128.3170.2-65.8-171.6-178.3-175.90.5109.1G366G366-R368 PolarHBondContact O-N 3.31Å
369I72.2Confident82.7Confident16 Ų1681.8 Ų81.88%0.08245%0.445CS..  trans-111.6-18.8-174.7-58.7177.9000111.4V255 L271 F357 E361 L367V255-I369 HydrophobicContact CG2-CG2 4.38Å; L271-I369 HydrophobicContact CD2-CD1 3.94Å; L271-I369 HydrophobicContact CD2-CG1 3.79Å; F357-I369 HydrophobicContact CB-CD1 4.19Å; F357-I369 HydrophobicContact CD1-CD1 3Å; F357-I369 HydrophobicContact CD1-CG1 4.47Å; F357-I369 HydrophobicContact CE1-CD1 3.25Å; F357-I369 HydrophobicContact CG-CD1 3.69Å; F357-I369 HydrophobicContact CZ-CD1 4.11Å; E361-I369 PolarHBondContact OE1-N 3.03Å; E361-I369 VanDerWaalsContact OE1-N 3.09Å; L367-I369 HydrophobicContact CD2-CD1 4.44Å; L367-I369 HydrophobicContact CG-CD1 4.46Å; L367-I369 HydrophobicContact CG-CG1 4.4Å
370M60.9Low82Confident176 Ų17684.5 Ų84.587%0.86746%0.456SS*.  trans-123.80167.5-63.1-178.8-82.500108.8

Retrieved 370 of 370 residues in 1213.5 ms (Link to these results)

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