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Glutathione-specific gamma-glutamylcyclotransferase 2

Catalyzes the cleavage of glutathione into 5-oxo-L-proline and a Cys-Gly dipeptide. Acts specifically on glutathione, but not on other gamma-glutamyl peptides.

AlphaFold DB , UniProt , Accession Q8WUX2, Species HUMAN (Homo sapiens, Human), Gene CHAC2, Length 184 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
1M94Very high95.6Very high77 Ų7725.7 Ų25.738%0.37913%0.125SC..  0150.20-176.6-179-65.400109.6L67 E72 K76 L107M1-L67 HydrophobicContact CB-CD1 4.16Å; M1-L67 HydrophobicContact CB-CG 4.47Å; M1-L67 HydrophobicContact CG-CD1 4.15Å; M1-L67 PolarHBondContact O-N 2.97Å; M1-L67 HydrophobicContact SD-CD1 3.89Å; M1-E72 HydrophobicContact CB-CB 4Å; M1-E72 HydrophobicContact CB-CG 3.63Å; M1-E72 HydrophobicContact CE-CB 4.22Å; M1-K76 HydrophobicContact CE-CD 4.36Å; M1-K76 HydrophobicContact SD-CB 4.45Å; M1-K76 HydrophobicContact SD-CD 4.43Å; M1-L107 HydrophobicContact SD-CD2 4.08Å
2W97.7Very high95.3Very high44 Ų4434.2 Ų34.217%0.16716%0.161CC..EExtended strand (participates in β ladder)trans-120.4144.2173.3-70.285000110.3D19 L21 A64 Y65 R66 F104 V106 L107W2-D19 HydrophobicContact CH2-CB 4.04Å; W2-L21 HydrophobicContact CH2-CD1 3.73Å; W2-L21 HydrophobicContact CH2-CG 4Å; W2-L21 HydrophobicContact CZ3-CB 4.42Å; W2-L21 HydrophobicContact CZ3-CD1 4.1Å; W2-L21 HydrophobicContact CZ3-CG 4.1Å; W2-A64 HydrophobicContact CE3-CB 3.88Å; W2-A64 HydrophobicContact CZ3-CB 4.35Å; W2-Y65 CarbonylContact C-O 3.52Å; W2-Y65 VanDerWaalsContact CA-O 3.25Å; W2-Y65 WeakPolarHBondContact CA-O 3.49Å; W2-Y65 VanDerWaalsContact CE3-C 3.47Å; W2-R66 HydrophobicContact CD2-CB 3.74Å; W2-R66 HydrophobicContact CD2-CG 4.15Å; W2-R66 HydrophobicContact CE3-CB 3.73Å; W2-R66 VanDerWaalsContact CE3-N 3.29Å; W2-R66 HydrophobicContact CH2-CB 3.71Å; W2-R66 HydrophobicContact CH2-CG 4.41Å; W2-R66 HydrophobicContact CZ2-CB 3.72Å; W2-R66 HydrophobicContact CZ2-CG 3.93Å; W2-R66 HydrophobicContact CZ3-CB 3.71Å; W2-F104 HydrophobicContact CB-CE2 3.96Å; W2-F104 AromaticContact CD1-CD2 3.98Å; W2-F104 AromaticContact CD1-CE2 3.77Å; W2-F104 HydrophobicContact CD2-CD2 4.39Å; W2-F104 AromaticContact CD2-CE2 3.45Å; W2-F104 HydrophobicContact CD2-CE2 3.45Å; W2-F104 VanDerWaalsContact CD2-CE2 3.45Å; W2-F104 AromaticContact CD2-CZ 3.83Å; W2-F104 HydrophobicContact CD2-CZ 3.83Å; W2-F104 AromaticContact CE2-CE2 3.77Å; W2-F104 AromaticContact CE2-CZ 3.95Å; W2-F104 AromaticContact CE3-CE2 3.87Å; W2-F104 HydrophobicContact CE3-CE2 3.87Å; W2-F104 AromaticContact CE3-CZ 3.88Å; W2-F104 HydrophobicContact CE3-CZ 3.88Å; W2-F104 HydrophobicContact CG-CD2 4.12Å; W2-F104 AromaticContact CG-CE2 3.5Å; W2-F104 HydrophobicContact CG-CE2 3.5Å; W2-F104 HydrophobicContact CG-CZ 4.35Å; W2-F104 HydrophobicContact CH2-CZ 4.23Å; W2-F104 HydrophobicContact CZ2-CE2 4.43Å; W2-F104 HydrophobicContact CZ2-CZ 4.16Å; W2-F104 HydrophobicContact CZ3-CZ 4.08Å; W2-F104 AromaticContact NE1-CE2 3.93Å; W2-V106 HydrophobicContact CB-CB 4.37Å; W2-V106 HydrophobicContact CB-CG1 3.79Å; W2-L107 WeakPolarHBondContact O-CB 3.4Å; W2-L107 PolarHBondContact O-N 2.89Å
3V96.7Very high95Very high1 Ų135.1 Ų35.11%0.00617%0.17CC..EExtended strand (participates in β ladder)trans-121.4132.7177.8175.80000109.5A64 Y65 L67 L79 L107 Y109V3-A64 CarbonylContact O-C 3.57Å; V3-A64 WeakPolarHBondContact O-CA 3.41Å; V3-Y65 PolarHBondContact N-O 2.8Å; V3-Y65 PolarHBondContact O-N 3.1Å; V3-L67 HydrophobicContact CG2-CD1 3.87Å; V3-L67 HydrophobicContact CG2-CD2 4Å; V3-L67 HydrophobicContact CG2-CG 4.04Å; V3-L79 HydrophobicContact CB-CD1 4.49Å; V3-L79 HydrophobicContact CG1-CD1 4.06Å; V3-L79 HydrophobicContact CG2-CD1 3.85Å; V3-L107 WeakPolarHBondContact CA-O 3.24Å; V3-L107 HydrophobicContact CG2-CB 4.28Å; V3-L107 HydrophobicContact CG2-CD2 4.26Å; V3-Y109 HydrophobicContact CG1-CD2 4.44Å; V3-Y109 HydrophobicContact CG1-CE2 4.27Å
4F97.8Very high94.7Very high3 Ų337.6 Ų37.61%0.01319%0.185CC..EExtended strand (participates in β ladder)trans-92.6122.7177.4-174.9-109000112.1Y6 I25 V60 F94 V106 L107 L108F4-Y6 HydrophobicContact CD1-CD1 4.24Å; F4-I25 HydrophobicContact CD1-CD1 3.86Å; F4-I25 HydrophobicContact CD1-CG1 4.3Å; F4-I25 HydrophobicContact CD1-CG2 4.13Å; F4-I25 HydrophobicContact CD2-CG2 4.13Å; F4-I25 HydrophobicContact CE1-CD1 3.6Å; F4-I25 HydrophobicContact CE1-CG1 3.69Å; F4-I25 HydrophobicContact CE1-CG2 4.06Å; F4-I25 HydrophobicContact CE2-CG2 4.11Å; F4-I25 HydrophobicContact CG-CG2 4.14Å; F4-I25 HydrophobicContact CZ-CD1 4.42Å; F4-I25 HydrophobicContact CZ-CG1 4.03Å; F4-I25 HydrophobicContact CZ-CG2 4.06Å; F4-V60 HydrophobicContact CE1-CG1 4.11Å; F4-V60 HydrophobicContact CZ-CG1 4.35Å; F4-V60 WeakPolarHBondContact CZ-O 3.46Å; F4-F94 AromaticContact CD2-CD2 3.71Å; F4-F94 HydrophobicContact CD2-CD2 3.71Å; F4-F94 AromaticContact CD2-CE2 3.89Å; F4-F94 HydrophobicContact CD2-CE2 3.89Å; F4-F94 AromaticContact CE2-CD2 3.78Å; F4-F94 HydrophobicContact CE2-CD2 3.78Å; F4-F94 AromaticContact CE2-CE2 3.72Å; F4-F94 HydrophobicContact CE2-CE2 3.72Å; F4-V106 HydrophobicContact CB-CB 4.26Å; F4-V106 HydrophobicContact CB-CG2 3.83Å; F4-L107 PolarHBondContact N-O 3.44Å; F4-L108 HydrophobicContact CB-CD1 4.19Å; F4-L108 HydrophobicContact CD1-CD1 3.66Å; F4-L108 HydrophobicContact CG-CD1 4.41Å
5G96.4Very high94.5Very high1 Ų135.9 Ų35.91%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-97.7120.5172.400000111.6I10 G62 V63G5-I10 WeakPolarHBondContact O-CG1 3.34Å; G5-G62 WeakPolarHBondContact O-CA 3.32Å; G5-V63 PolarHBondContact N-O 3.26Å; G5-V63 PolarHBondContact O-N 3.39Å; G5-V63 VanDerWaalsContact O-N 3.08Å
6Y96.3Very high94.4Very high17 Ų1738.3 Ų38.37%0.06720%0.195CC..SBendtrans-118.2-6176.561.9-91.8000113.9F4 R30 V50 L52 Y87 L108 Y109F4-Y6 HydrophobicContact CD1-CD1 4.24Å; Y6-R30 WeakPolarHBondContact O-CD 2.99Å; Y6-R30 PolarHBondContact O-NH1 3.29Å; Y6-V50 HydrophobicContact CD2-CG2 3.89Å; Y6-V50 HydrophobicContact CE2-CG2 4.06Å; Y6-L52 HydrophobicContact CD1-CD1 3.79Å; Y6-L52 HydrophobicContact CD1-CD2 4.35Å; Y6-L52 HydrophobicContact CD1-CG 4.02Å; Y6-L52 HydrophobicContact CD2-CD1 4.46Å; Y6-L52 HydrophobicContact CD2-CD2 3.58Å; Y6-L52 HydrophobicContact CD2-CG 3.84Å; Y6-L52 HydrophobicContact CE1-CD1 3.94Å; Y6-L52 HydrophobicContact CE1-CG 3.97Å; Y6-L52 HydrophobicContact CE2-CD2 3.96Å; Y6-L52 HydrophobicContact CE2-CG 3.79Å; Y6-L52 HydrophobicContact CG-CD1 4.06Å; Y6-L52 HydrophobicContact CG-CD2 3.79Å; Y6-L52 HydrophobicContact CG-CG 3.94Å; Y6-Y87 WeakPolarHBondContact OH-CE1 3.46Å; Y6-L108 HydrophobicContact CD1-CD1 3.88Å; Y6-L108 HydrophobicContact CE1-CD1 3.97Å; Y6-Y109 WeakPolarHBondContact CE1-O 3.35Å; Y6-Y109 PolarHBondContact OH-O 3.07Å
7G95.2Very high94.5Very high8 Ų841.8 Ų41.88%0.08221%0.206CC..SBendtrans-124.1-129.417900000111.6L9 I10 W11G7-L9 PolarHBondContact O-N 3.38Å; G7-I10 WeakPolarHBondContact O-CB 3.22Å; G7-I10 WeakPolarHBondContact O-CG1 3.28Å; G7-I10 PolarHBondContact O-N 2.96Å; G7-W11 VanDerWaalsContact O-CZ3 3.3Å; G7-W11 WeakPolarHBondContact O-CZ3 3.46Å
8S93.6Very high94.6Very high34 Ų3445.3 Ų45.324%0.23822%0.222CC..G310 helixtrans-54.1-29.4-179.356.60000114.6I10 W11 K12 R82S8-I10 PolarHBondContact O-N 3.34Å; S8-I10 VanDerWaalsContact O-N 3.1Å; S8-W11 VanDerWaalsContact CA-CH2 3.42Å; S8-W11 VanDerWaalsContact CA-CZ3 3.4Å; S8-W11 PolarHBondContact O-N 3.21Å; S8-K12 PolarHBondContact O-N 2.68Å; S8-R82 PolarHBondContact OG-NH2 2.92Å
9L94Very high94.8Very high15 Ų1546.6 Ų46.68%0.07923%0.23CC..G310 helixtrans-59-21.1177.6-69-177.5000113.9G7 W11 V13 F15 Y65G7-L9 PolarHBondContact O-N 3.38Å; L9-W11 VanDerWaalsContact C-N 3.34Å; L9-W11 PolarHBondContact O-N 3.01Å; L9-V13 WeakPolarHBondContact O-CG2 3.42Å; L9-F15 HydrophobicContact CD1-CE1 4.3Å; L9-F15 HydrophobicContact CD2-CE1 3.66Å; L9-F15 HydrophobicContact CD2-CZ 4.45Å; L9-Y65 PolarHBondContact O-OH 2.89Å
10I95.7Very high94.9Very high17 Ų1750 Ų509%0.08724%0.243CC..G310 helixtrans-66-37.6178.7-60.9179.2000111.4G5 G7 S8 V63 Y65 L148 I152 L155G5-I10 WeakPolarHBondContact O-CG1 3.34Å; G7-I10 WeakPolarHBondContact O-CB 3.22Å; G7-I10 WeakPolarHBondContact O-CG1 3.28Å; G7-I10 PolarHBondContact O-N 2.96Å; S8-I10 PolarHBondContact O-N 3.34Å; S8-I10 VanDerWaalsContact O-N 3.1Å; I10-V63 HydrophobicContact CG2-CG2 4.12Å; I10-Y65 PolarHBondContact O-OH 3.17Å; I10-L148 HydrophobicContact CD1-CD1 3.82Å; I10-I152 HydrophobicContact CD1-CD1 3.62Å; I10-L155 HydrophobicContact CG2-CD1 4.15Å
11W93.7Very high95Very high66 Ų6649.4 Ų49.425%0.2524%0.241CC..THydrogen-bonded Turntrans-111-24.4-179.470.797.5000114G7 S8 L9 Y144 E147 L148G7-W11 VanDerWaalsContact O-CZ3 3.3Å; G7-W11 WeakPolarHBondContact O-CZ3 3.46Å; S8-W11 VanDerWaalsContact CA-CH2 3.42Å; S8-W11 VanDerWaalsContact CA-CZ3 3.4Å; S8-W11 PolarHBondContact O-N 3.21Å; L9-W11 VanDerWaalsContact C-N 3.34Å; L9-W11 PolarHBondContact O-N 3.01Å; W11-Y144 AromaticContact CH2-CD2 3.62Å; W11-Y144 HydrophobicContact CH2-CD2 3.62Å; W11-Y144 AromaticContact CH2-CE2 3.7Å; W11-Y144 HydrophobicContact CH2-CE2 3.7Å; W11-Y144 HydrophobicContact CH2-CG 4.07Å; W11-Y144 WeakPolarHBondContact CH2-O 3.44Å; W11-Y144 AromaticContact CZ2-CD2 3.76Å; W11-Y144 HydrophobicContact CZ2-CD2 3.76Å; W11-Y144 HydrophobicContact CZ2-CE2 4.17Å; W11-Y144 HydrophobicContact CZ2-CG 4.33Å; W11-E147 HydrophobicContact CD2-CB 3.78Å; W11-E147 HydrophobicContact CE3-CB 4.25Å; W11-E147 HydrophobicContact CG-CB 4.11Å; W11-E147 HydrophobicContact CH2-CB 4.25Å; W11-E147 HydrophobicContact CZ2-CB 3.8Å; W11-E147 HydrophobicContact CZ3-CB 4.47Å; W11-L148 HydrophobicContact CE3-CB 4.46Å; W11-L148 HydrophobicContact CH2-CB 4.02Å; W11-L148 HydrophobicContact CZ3-CB 3.56Å; W11-L148 HydrophobicContact CZ3-CD1 3.96Å; W11-L148 HydrophobicContact CZ3-CG 4.27Å
12K91.9Very high95.2Very high127 Ų12747.7 Ų47.755%0.55224%0.235SC*.  trans-128.3102.6-176.3-171.6177.6-178.61800111S8S8-K12 PolarHBondContact O-N 2.68Å
13V92.5Very high95.3Very high46 Ų4645.6 Ų45.628%0.27923%0.227SC..  trans-108.5128.4176.4-175.10000109.2L9 F15 Y17 Y65L9-V13 WeakPolarHBondContact O-CG2 3.42Å; V13-F15 HydrophobicContact CG1-CD1 3.97Å; V13-F15 HydrophobicContact CG1-CD2 3.93Å; V13-F15 HydrophobicContact CG1-CE1 3.83Å; V13-F15 HydrophobicContact CG1-CE2 3.77Å; V13-F15 HydrophobicContact CG1-CG 4.03Å; V13-F15 HydrophobicContact CG1-CZ 3.73Å; V13-F15 WeakPolarHBondContact CG1-O 3.47Å; V13-Y17 HydrophobicContact CB-CE1 4.43Å; V13-Y17 HydrophobicContact CG1-CD1 3.89Å; V13-Y17 HydrophobicContact CG1-CE1 4.13Å; V13-Y65 HydrophobicContact CG2-CD1 4.28Å; V13-Y65 HydrophobicContact CG2-CE1 3.55Å; V13-Y65 HydrophobicContact CG2-CE2 4.32Å
14D89.7Confident95.3Very high70 Ų7048.9 Ų48.937%0.37424%0.24SC..  trans-117.215.7-176.954.1-0.4000113Y78 R82D14-Y78 PolarHBondContact OD2-OH 3.01Å; D14-R82 IonicContact OD1-NH1 2.83Å; D14-R82 PolarHBondContact OD1-NH1 3.3Å; D14-R82 IonicContact OD2-CZ 3.41Å; D14-R82 IonicContact OD2-NH1 2.95Å; D14-R82 PolarHBondContact OD2-NH1 2.96Å
15F92.2Very high95.4Very high13 Ų1348.7 Ų48.76%0.05724%0.239CC..SBendtrans-129.6154175.957.2-99.2000111.3L9 V13 Y65 L67 V75 Y78 L79L9-F15 HydrophobicContact CD1-CE1 4.3Å; L9-F15 HydrophobicContact CD2-CE1 3.66Å; L9-F15 HydrophobicContact CD2-CZ 4.45Å; V13-F15 HydrophobicContact CG1-CD1 3.97Å; V13-F15 HydrophobicContact CG1-CD2 3.93Å; V13-F15 HydrophobicContact CG1-CE1 3.83Å; V13-F15 HydrophobicContact CG1-CE2 3.77Å; V13-F15 HydrophobicContact CG1-CG 4.03Å; V13-F15 HydrophobicContact CG1-CZ 3.73Å; V13-F15 WeakPolarHBondContact CG1-O 3.47Å; F15-Y65 HydrophobicContact CE2-CG 4.37Å; F15-Y65 HydrophobicContact CZ-CD2 4.48Å; F15-Y65 HydrophobicContact CZ-CG 4.34Å; F15-L67 HydrophobicContact CD2-CD2 4.06Å; F15-L67 HydrophobicContact CE2-CD2 3.92Å; F15-V75 HydrophobicContact CB-CG1 3.75Å; F15-V75 HydrophobicContact CD2-CG1 3.87Å; F15-V75 HydrophobicContact CG-CG1 3.87Å; F15-Y78 HydrophobicContact CB-CD1 4.36Å; F15-Y78 HydrophobicContact CB-CE1 4.48Å; F15-L79 HydrophobicContact CD1-CD2 3.75Å; F15-L79 HydrophobicContact CD1-CG 4.39Å; F15-L79 HydrophobicContact CE1-CD1 4.39Å; F15-L79 HydrophobicContact CE1-CD2 3.74Å
16P93.5Very high95.4Very high74 Ų7450.8 Ų50.848%0.48125%0.251SS..  trans-68.6140.8176.429.5-35.4000111P68 V75P16-P68 HydrophobicContact CB-CG 3.89Å; P16-P68 HydrophobicContact CG-CG 4.07Å; P16-P68 WeakPolarHBondContact O-CD 3.49Å; P16-V75 HydrophobicContact CG-CG2 3.92Å
17Y96.1Very high95.5Very high98 Ų9854 Ų5438%0.38427%0.27SS..  trans-138.5150.9172.566.2-92.1000110.5V13 D19 K20 Y65 R66V13-Y17 HydrophobicContact CB-CE1 4.43Å; V13-Y17 HydrophobicContact CG1-CD1 3.89Å; V13-Y17 HydrophobicContact CG1-CE1 4.13Å; Y17-D19 WeakPolarHBondContact CD2-O 3.4Å; Y17-K20 HydrophobicContact CD2-CB 4.37Å; Y17-K20 HydrophobicContact CE2-CB 4.16Å; Y17-K20 HydrophobicContact CE2-CD 4.1Å; Y17-K20 HydrophobicContact CE2-CG 4.21Å; Y17-Y65 AromaticContact CD1-CD1 3.95Å; Y17-Y65 HydrophobicContact CD1-CD1 3.95Å; Y17-Y65 HydrophobicContact CD1-CE1 4.47Å; Y17-Y65 HydrophobicContact CD2-CD1 4.13Å; Y17-Y65 HydrophobicContact CE1-CD1 4.24Å; Y17-Y65 HydrophobicContact CE1-CE1 4.32Å; Y17-Y65 HydrophobicContact CE2-CD1 4.43Å; Y17-Y65 AromaticContact CG-CD1 3.9Å; Y17-Y65 HydrophobicContact CG-CD1 3.9Å; Y17-R66 CarbonylContact C-O 2.97Å; Y17-R66 VanDerWaalsContact CA-O 3.29Å; Y17-R66 WeakPolarHBondContact CA-O 3.38Å; Y17-R66 WeakPolarHBondContact CB-O 3.5Å
18Q96.6Very high95.6Very high105 Ų10555.1 Ų55.149%0.49127%0.272SS..SBendtrans-91.9-30.2179-84.8179.3-18.400113.2R66 P68Q18-R66 HydrophobicContact CB-CG 4.49Å; Q18-R66 PolarHBondContact N-O 3.47Å; Q18-P68 HydrophobicContact CG-CB 4.15Å
19D97Very high95.8Very high70 Ų7054 Ų5437%0.37426%0.264SS..EExtended strand (participates in β ladder)trans-153.8159.1-175.2-1600000109.8W2 Y17 R66W2-D19 HydrophobicContact CH2-CB 4.04Å; Y17-D19 WeakPolarHBondContact CD2-O 3.4Å; D19-R66 HydrophobicContact CB-CB 3.77Å; D19-R66 PolarHBondContact O-N 2.94Å
20K97.2Very high95.9Very high113 Ų11353.4 Ų53.449%0.49126%0.261SS..EExtended strand (participates in β ladder)trans-144.9139.417370.4178.1-176.7179.10111.5Y17 V63 A64 Y65Y17-K20 HydrophobicContact CD2-CB 4.37Å; Y17-K20 HydrophobicContact CE2-CB 4.16Å; Y17-K20 HydrophobicContact CE2-CD 4.1Å; Y17-K20 HydrophobicContact CE2-CG 4.21Å; K20-V63 HydrophobicContact CB-CG1 3.94Å; K20-V63 HydrophobicContact CD-CG1 4.46Å; K20-A64 CarbonylContact C-O 3.02Å; K20-A64 VanDerWaalsContact CA-O 3.22Å; K20-A64 WeakPolarHBondContact CA-O 3.42Å; K20-Y65 HydrophobicContact CB-CD1 3.82Å; K20-Y65 HydrophobicContact CB-CE1 3.96Å; K20-Y65 HydrophobicContact CD-CE1 4.02Å
21L98Very high96Very high38 Ų3855.2 Ų55.220%0.19927%0.266CS..EExtended strand (participates in β ladder)trans-128.8136.3179.3-66.8175.1000110.7W2 V63 A64 F94 T101 F104W2-L21 HydrophobicContact CH2-CD1 3.73Å; W2-L21 HydrophobicContact CH2-CG 4Å; W2-L21 HydrophobicContact CZ3-CB 4.42Å; W2-L21 HydrophobicContact CZ3-CD1 4.1Å; W2-L21 HydrophobicContact CZ3-CG 4.1Å; L21-V63 CarbonylContact O-C 3.51Å; L21-V63 WeakPolarHBondContact O-CA 3.42Å; L21-A64 PolarHBondContact N-O 3.31Å; L21-A64 PolarHBondContact O-N 3.43Å; L21-F94 HydrophobicContact CB-CE1 3.97Å; L21-F94 HydrophobicContact CB-CZ 4.23Å; L21-F94 WeakPolarHBondContact O-CZ 3.01Å; L21-T101 HydrophobicContact CD1-CG2 4.02Å; L21-F104 HydrophobicContact CD1-CE1 3.83Å; L21-F104 HydrophobicContact CD1-CZ 3.98Å
22V98Very high96.2Very high41 Ų4152.1 Ų52.125%0.24826%0.255CS..EExtended strand (participates in β ladder)trans-82140.1171.1179.20000108.3K97 L155V22-K97 HydrophobicContact CB-CB 4.38Å; V22-K97 HydrophobicContact CG1-CB 4.26Å; V22-K97 HydrophobicContact CG1-CD 4.06Å; V22-K97 WeakPolarHBondContact O-CB 3.48Å; V22-K97 PolarHBondContact O-N 2.9Å; V22-L155 HydrophobicContact CB-CD2 4.45Å; V22-L155 HydrophobicContact CG1-CB 4Å; V22-L155 HydrophobicContact CG1-CD1 4.15Å; V22-L155 HydrophobicContact CG1-CD2 4.07Å; V22-L155 HydrophobicContact CG1-CG 4.29Å; V22-L155 HydrophobicContact CG2-CD1 4.27Å; V22-L155 HydrophobicContact CG2-CD2 3.51Å; V22-L155 HydrophobicContact CG2-CG 4.41Å
23G98.1Very high96.4Very high0 Ų048.3 Ų48.30%024%0.237CC..EExtended strand (participates in β ladder)trans175-163.1179.700000111.4W61 G62 F94 Y95G23-W61 WeakPolarHBondContact O-CA 3.24Å; G23-G62 PolarHBondContact N-O 2.99Å; G23-G62 VanDerWaalsContact N-O 3.16Å; G23-G62 PolarHBondContact O-N 3.1Å; G23-G62 VanDerWaalsContact O-O 3.1Å; G23-F94 VanDerWaalsContact C-CE2 3.42Å; G23-F94 VanDerWaalsContact CA-CE2 3.44Å; G23-Y95 CarbonylContact C-O 3.53Å; G23-Y95 WeakPolarHBondContact CA-O 3.31Å
24Y98.4Very high96.5Very high70 Ų7046.3 Ų46.328%0.27523%0.225SC..EExtended strand (participates in β ladder)trans-137162.5-17764.6-86.5000112.9T26 C59 V60 W61 Y95Y24-T26 HydrophobicContact CD2-CG2 4.03Å; Y24-T26 HydrophobicContact CE2-CG2 3.84Å; Y24-C59 VanDerWaalsContact CD2-SG 3.55Å; Y24-V60 CarbonylContact C-O 3.58Å; Y24-V60 WeakPolarHBondContact CA-O 3.28Å; Y24-V60 WeakPolarHBondContact CB-O 3.47Å; Y24-W61 HydrophobicContact CD1-CD2 4.41Å; Y24-W61 HydrophobicContact CD1-CE3 4.41Å; Y24-W61 AromaticContact CD1-CH2 3.75Å; Y24-W61 HydrophobicContact CD1-CH2 3.75Å; Y24-W61 AromaticContact CD1-CZ2 3.71Å; Y24-W61 HydrophobicContact CD1-CZ2 3.71Å; Y24-W61 HydrophobicContact CD1-CZ3 4.1Å; Y24-W61 HydrophobicContact CE1-CH2 4.34Å; Y24-W61 HydrophobicContact CE1-CZ2 4.32Å; Y24-W61 HydrophobicContact CG-CZ2 4.42Å; Y24-Y95 HydrophobicContact CD2-CD2 4.14Å; Y24-Y95 HydrophobicContact CD2-CG 4.4Å; Y24-Y95 HydrophobicContact CE1-CG 4.49Å; Y24-Y95 AromaticContact CE2-CD2 3.75Å; Y24-Y95 HydrophobicContact CE2-CD2 3.75Å; Y24-Y95 AromaticContact CE2-CG 3.76Å; Y24-Y95 HydrophobicContact CE2-CG 3.76Å; Y24-Y95 AromaticContact CZ-CG 3.81Å; Y24-Y95 PolarHBondContact N-O 3.09Å; Y24-Y95 PolarHBondContact O-N 3.1Å
25I98.4Very high96.8Very high0 Ų043.2 Ų43.20%021%0.209CC..EExtended strand (participates in β ladder)trans-116.6155.8165.763.2169.7000108.6F4 Y28 L52 C59 V60 V92 F94 V106 L108F4-I25 HydrophobicContact CD1-CD1 3.86Å; F4-I25 HydrophobicContact CD1-CG1 4.3Å; F4-I25 HydrophobicContact CD1-CG2 4.13Å; F4-I25 HydrophobicContact CD2-CG2 4.13Å; F4-I25 HydrophobicContact CE1-CD1 3.6Å; F4-I25 HydrophobicContact CE1-CG1 3.69Å; F4-I25 HydrophobicContact CE1-CG2 4.06Å; F4-I25 HydrophobicContact CE2-CG2 4.11Å; F4-I25 HydrophobicContact CG-CG2 4.14Å; F4-I25 HydrophobicContact CZ-CD1 4.42Å; F4-I25 HydrophobicContact CZ-CG1 4.03Å; F4-I25 HydrophobicContact CZ-CG2 4.06Å; I25-Y28 HydrophobicContact CD1-CD2 4.18Å; I25-L52 HydrophobicContact CD1-CD1 3.85Å; I25-C59 WeakPolarHBondContact O-CA 3.36Å; I25-V60 HydrophobicContact CD1-CB 4.32Å; I25-V60 HydrophobicContact CG1-CB 3.8Å; I25-V60 HydrophobicContact CG1-CG2 4.4Å; I25-V60 PolarHBondContact N-O 3.09Å; I25-V60 PolarHBondContact O-N 3.27Å; I25-V92 HydrophobicContact CB-CG2 4.15Å; I25-V92 HydrophobicContact CD1-CG2 4.32Å; I25-V92 HydrophobicContact CG2-CG2 3.66Å; I25-F94 HydrophobicContact CG2-CD2 4.34Å; I25-V106 HydrophobicContact CG2-CG2 4.36Å; I25-L108 HydrophobicContact CD1-CD1 4.17Å; I25-L108 HydrophobicContact CD1-CD2 3.72Å
26T98.1Very high96.8Very high44 Ų4442.8 Ų42.827%0.2721%0.207SC..EExtended strand (participates in β ladder)trans-109.9172.3177.660.40000111.1Y24 Y28 G58 Y95Y24-T26 HydrophobicContact CD2-CG2 4.03Å; Y24-T26 HydrophobicContact CE2-CG2 3.84Å; T26-Y28 WeakPolarHBondContact O-CD2 3.17Å; T26-Y28 PolarHBondContact O-N 3.04Å; T26-G58 CarbonylContact C-O 3.51Å; T26-G58 WeakPolarHBondContact CA-O 3.27Å; T26-Y95 HydrophobicContact CG2-CD2 4.37Å; T26-Y95 HydrophobicContact CG2-CE2 4.1Å
27N97.5Very high96.9Very high86 Ų8641 Ų4146%0.4620%0.195SC..EExtended strand (participates in β ladder)trans70.211.6176.9-52.595.2000114.7D55 G58N27-D55 CarbonylContact C-O 3.53Å; N27-D55 WeakPolarHBondContact CA-O 3.35Å; N27-D55 PolarHBondContact O-N 2.92Å; N27-G58 PolarHBondContact N-O 2.81Å
28Y97.4Very high96.6Very high30 Ų3040.5 Ų40.512%0.11820%0.199CC..EExtended strand (participates in β ladder)trans-137.7154.2176.4-67.6-83.3000110.9I25 T26 L52 V53 E54 D55 G58 C59 V60 V92 L108 I110I25-Y28 HydrophobicContact CD1-CD2 4.18Å; T26-Y28 WeakPolarHBondContact O-CD2 3.17Å; T26-Y28 PolarHBondContact O-N 3.04Å; Y28-L52 HydrophobicContact CD1-CB 4.07Å; Y28-L52 HydrophobicContact CG-CB 4.48Å; Y28-L52 HydrophobicContact CG-CD1 4.47Å; Y28-V53 CarbonylContact C-O 3.5Å; Y28-V53 VanDerWaalsContact CA-O 3.23Å; Y28-V53 WeakPolarHBondContact CA-O 3.36Å; Y28-E54 HydrophobicContact CD1-CG 4.33Å; Y28-E54 HydrophobicContact CE1-CG 3.75Å; Y28-D55 PolarHBondContact N-O 2.92Å; Y28-G58 CarbonylContact O-C 3.55Å; Y28-G58 WeakPolarHBondContact O-CA 3.48Å; Y28-C59 PolarHBondContact O-N 2.81Å; Y28-C59 VanDerWaalsContact O-N 3.12Å; Y28-V60 VanDerWaalsContact O-CG2 3.26Å; Y28-V60 WeakPolarHBondContact O-CG2 3.44Å; Y28-V92 HydrophobicContact CE2-CG1 3.82Å; Y28-L108 HydrophobicContact CD2-CD2 4.41Å; Y28-L108 HydrophobicContact CE2-CD2 4.25Å; Y28-I110 HydrophobicContact CD1-CD1 4.16Å; Y28-I110 HydrophobicContact CE1-CD1 3.4Å; Y28-I110 VanDerWaalsContact CE1-CD1 3.4Å
29S97.1Very high96.4Very high10 Ų1039.9 Ų39.97%0.0720%0.196CC..EExtended strand (participates in β ladder)trans-125.2136.3172.4-106.10000109.5R31 L52 V53 D55S29-R31 PolarHBondContact OG-NH1 3.02Å; S29-R31 PolarHBondContact OG-NH2 3.05Å; S29-L52 WeakPolarHBondContact O-CA 3.45Å; S29-V53 PolarHBondContact N-O 2.76Å; S29-V53 WeakPolarHBondContact O-CG2 3.41Å; S29-V53 PolarHBondContact O-N 3.02Å; S29-D55 WeakPolarHBondContact CB-OD2 3.3Å; S29-D55 PolarHBondContact OG-OD2 3.21Å
30R97.6Very high96.4Very high4 Ų437.5 Ų37.52%0.01518%0.182CC..EExtended strand (participates in β ladder)trans-83.6126.9176.2174.4163.948.4-135.7-15.6110.6Y6 V50 L52 V60 W61 D161Y6-R30 WeakPolarHBondContact O-CD 2.99Å; Y6-R30 PolarHBondContact O-NH1 3.29Å; R30-V50 HydrophobicContact CG-CB 3.81Å; R30-V50 HydrophobicContact CG-CG1 3.71Å; R30-V50 HydrophobicContact CG-CG2 4.33Å; R30-L52 HydrophobicContact CB-CD2 4Å; R30-V60 HydrophobicContact CB-CG1 4.1Å; R30-V60 HydrophobicContact CB-CG2 4.32Å; R30-W61 VanDerWaalsContact CZ-O 3.28Å; R30-W61 PolarHBondContact NH1-O 2.9Å; R30-W61 PolarHBondContact NH2-O 3.03Å; R30-D161 IonicContact CZ-OD2 2.67Å; R30-D161 IonicContact NE-OD2 2.86Å; R30-D161 PolarHBondContact NE-OD2 3.02Å; R30-D161 IonicContact NH2-OD2 3.86Å; R30-D161 PolarHBondContact NH2-OD2 3.08Å
31R97.2Very high96.4Very high55 Ų5532.1 Ų32.121%0.20816%0.159CC..EExtended strand (participates in β ladder)trans-140.5145.3-177.3-62.9-65.2179.6-89.5-4.5112.5S29 W33 V50 T51 V53S29-R31 PolarHBondContact OG-NH1 3.02Å; S29-R31 PolarHBondContact OG-NH2 3.05Å; R31-W33 HydrophobicContact CB-CB 4.34Å; R31-W33 HydrophobicContact CB-CD2 3.48Å; R31-W33 VanDerWaalsContact CB-CD2 3.48Å; R31-W33 HydrophobicContact CB-CE3 3.99Å; R31-W33 HydrophobicContact CB-CG 3.65Å; R31-W33 HydrophobicContact CB-CZ2 4.19Å; R31-W33 HydrophobicContact CG-CD2 3.94Å; R31-W33 HydrophobicContact CG-CE3 4.16Å; R31-W33 HydrophobicContact CG-CH2 3.99Å; R31-W33 HydrophobicContact CG-CZ2 3.78Å; R31-W33 HydrophobicContact CG-CZ3 4.18Å; R31-W33 PolarHBondContact O-N 3.42Å; R31-V50 CarbonylContact O-C 3.59Å; R31-V50 VanDerWaalsContact O-CA 3.3Å; R31-V50 WeakPolarHBondContact O-CA 3.23Å; R31-T51 PolarHBondContact N-O 2.95Å; R31-T51 PolarHBondContact O-N 2.85Å; R31-V53 HydrophobicContact CG-CG2 3.9Å
32F97.6Very high96.4Very high0 Ų033.3 Ų33.30%017%0.167CC..EExtended strand (participates in β ladder)trans-80.150.7175.9-77.7-101.8000112.5R48 V49 V50 I127 I131 Y144 L145 L148 H163 L164 L167F32-R48 HydrophobicContact CB-CB 4.34Å; F32-R48 WeakPolarHBondContact O-CD 3.24Å; F32-R48 PolarHBondContact O-NH1 2.93Å; F32-V49 CarbonylContact C-O 3.5Å; F32-V49 WeakPolarHBondContact CA-O 3.28Å; F32-V50 HydrophobicContact CD1-CG1 4.12Å; F32-V50 HydrophobicContact CD2-CG1 3.66Å; F32-V50 HydrophobicContact CE1-CG1 3.92Å; F32-V50 HydrophobicContact CE2-CG1 3.42Å; F32-V50 VanDerWaalsContact CE2-CG1 3.42Å; F32-V50 HydrophobicContact CG-CG1 4Å; F32-V50 HydrophobicContact CZ-CG1 3.56Å; F32-I127 HydrophobicContact CB-CG2 3.85Å; F32-I131 HydrophobicContact CD1-CD1 3.66Å; F32-I131 HydrophobicContact CE1-CD1 4.09Å; F32-I131 HydrophobicContact CG-CD1 4.26Å; F32-Y144 AromaticContact CE1-CD1 3.9Å; F32-Y144 HydrophobicContact CE1-CD1 3.9Å; F32-Y144 AromaticContact CE1-CE1 3.76Å; F32-Y144 HydrophobicContact CE1-CE1 3.76Å; F32-Y144 HydrophobicContact CZ-CE1 4.29Å; F32-L145 HydrophobicContact CE1-CB 4.42Å; F32-L145 HydrophobicContact CE1-CD1 3.95Å; F32-L145 HydrophobicContact CE2-CD1 3.93Å; F32-L145 HydrophobicContact CZ-CD1 3.38Å; F32-L148 HydrophobicContact CE2-CD2 4.38Å; F32-L148 HydrophobicContact CZ-CD2 3.95Å; F32-H163 AromaticContact CD2-CD2 3.98Å; F32-H163 AromaticContact CD2-NE2 3.88Å; F32-H163 PolarHBondContact N-NE2 3.45Å; F32-L164 HydrophobicContact CE2-CD1 3.72Å; F32-L164 HydrophobicContact CZ-CD1 3.87Å; F32-L167 HydrophobicContact CB-CD2 3.85Å; F32-L167 HydrophobicContact CD1-CD2 3.98Å; F32-L167 HydrophobicContact CD2-CD2 3.38Å; F32-L167 HydrophobicContact CE1-CD2 4.36Å; F32-L167 HydrophobicContact CE2-CD2 3.83Å; F32-L167 HydrophobicContact CG-CD2 3.46Å; F32-L167 VanDerWaalsContact CG-CD2 3.46Å; F32-L167 HydrophobicContact CZ-CD2 4.3Å
33W96.4Very high96.2Very high47 Ų4736.5 Ų36.518%0.17819%0.189CC..EExtended strand (participates in β ladder)trans-1054.6-172.8-62.2-8.5000113.3R31 T51 V53 Y118 L119 G120 P121R31-W33 HydrophobicContact CB-CB 4.34Å; R31-W33 HydrophobicContact CB-CD2 3.48Å; R31-W33 VanDerWaalsContact CB-CD2 3.48Å; R31-W33 HydrophobicContact CB-CE3 3.99Å; R31-W33 HydrophobicContact CB-CG 3.65Å; R31-W33 HydrophobicContact CB-CZ2 4.19Å; R31-W33 HydrophobicContact CG-CD2 3.94Å; R31-W33 HydrophobicContact CG-CE3 4.16Å; R31-W33 HydrophobicContact CG-CH2 3.99Å; R31-W33 HydrophobicContact CG-CZ2 3.78Å; R31-W33 HydrophobicContact CG-CZ3 4.18Å; R31-W33 PolarHBondContact O-N 3.42Å; W33-T51 HydrophobicContact CB-CG2 4.24Å; W33-V53 HydrophobicContact CE3-CG1 3.6Å; W33-V53 HydrophobicContact CZ3-CB 4.3Å; W33-V53 HydrophobicContact CZ3-CG1 3.71Å; W33-V53 HydrophobicContact CZ3-CG2 3.99Å; W33-Y118 HydrophobicContact CB-CE2 4.16Å; W33-L119 PolarHBondContact O-N 2.83Å; W33-G120 WeakPolarHBondContact CB-O 3.44Å; W33-G120 PolarHBondContact O-N 3.07Å; W33-P121 HydrophobicContact CD2-CB 4.33Å; W33-P121 HydrophobicContact CD2-CG 4.11Å; W33-P121 HydrophobicContact CE3-CG 3.89Å; W33-P121 HydrophobicContact CH2-CB 4.14Å; W33-P121 HydrophobicContact CH2-CG 3.77Å; W33-P121 HydrophobicContact CZ2-CB 3.84Å; W33-P121 HydrophobicContact CZ2-CG 3.97Å; W33-P121 HydrophobicContact CZ3-CB 4.49Å; W33-P121 HydrophobicContact CZ3-CG 3.72Å
34Q94.4Very high96.2Very high5 Ų540.6 Ų40.62%0.02323%0.231CC..EExtended strand (participates in β ladder)trans-102.3127.3176.7-174.465.853.300109.5R48 V49 T51 N115 D117Q34-R48 CarbonylContact O-C 3.56Å; Q34-R48 WeakPolarHBondContact O-CA 3.4Å; Q34-V49 HydrophobicContact CB-CG2 3.89Å; Q34-V49 WeakPolarHBondContact CB-O 3.27Å; Q34-V49 HydrophobicContact CG-CG2 3.81Å; Q34-V49 PolarHBondContact N-O 3.45Å; Q34-V49 PolarHBondContact O-N 3.07Å; Q34-T51 HydrophobicContact CB-CG2 4.17Å; Q34-N115 PolarHBondContact NE2-ND2 3.24Å; Q34-N115 PolarHBondContact OE1-ND2 2.95Å; Q34-D117 PolarHBondContact NE2-O 3.38Å
35G95.2Very high96.1Very high4 Ų442.8 Ų42.84%0.04124%0.242CC..EExtended strand (participates in β ladder)trans-69.3146.3169.600000111G47 D117G35-G47 CarbonylContact C-O 3.39Å; G35-G47 VanDerWaalsContact CA-O 3.27Å; G35-G47 WeakPolarHBondContact CA-O 3.38Å; G35-D117 WeakPolarHBondContact CA-O 3.35Å; G35-D117 PolarHBondContact N-O 3.47Å
36S94Very high96Very high4 Ų444.4 Ų44.43%0.02825%0.252CS..EExtended strand (participates in β ladder)trans-127113.5168.5178.90000109.8D38 H39 R40 G41 G47S36-D38 PolarHBondContact OG-OD1 3.05Å; S36-H39 WeakPolarHBondContact OG-CB 3.18Å; S36-H39 PolarHBondContact OG-N 3.34Å; S36-R40 PolarHBondContact OG-N 3.5Å; S36-G41 CarbonylContact O-C 3.01Å; S36-G41 WeakPolarHBondContact O-CA 2.99Å; S36-G41 PolarHBondContact O-N 3.22Å; S36-G41 VanDerWaalsContact O-N 3.07Å; S36-G47 PolarHBondContact N-O 3.31Å; S36-G47 PolarHBondContact O-N 3.06Å
37T94Very high96Very high36 Ų3642.3 Ų42.322%0.22124%0.239CC..SBendtrans-105.7-3.6179.552.70000113.1G41 V42 P43 P46T37-G41 CarbonylContact C-O 3.57Å; T37-V42 WeakPolarHBondContact O-CA 3.48Å; T37-P43 WeakPolarHBondContact O-CD 3.32Å; T37-P46 HydrophobicContact CG2-CB 3.95Å
38D91.2Very high96.1Very high89 Ų8939 Ų3948%0.47622%0.22SC..SBendtrans-126.1-18.4-172.261-13.6000113.7S36 P137S36-D38 PolarHBondContact OG-OD1 3.05Å; D38-P137 VanDerWaalsContact O-CD 3.28Å; D38-P137 WeakPolarHBondContact O-CD 3.49Å; D38-P137 VanDerWaalsContact O-CG 3.23Å; D38-P137 WeakPolarHBondContact O-CG 3.43Å
39H92.5Very high96Very high91 Ų9138.2 Ų38.242%0.42122%0.219SC..SBendtrans-119-61.5-180-69.6-73.5000112.8S36 G136 S138S36-H39 WeakPolarHBondContact OG-CB 3.18Å; S36-H39 PolarHBondContact OG-N 3.34Å; H39-G136 CarbonylContact O-C 3.56Å; H39-G136 VanDerWaalsContact O-CA 3.27Å; H39-G136 WeakPolarHBondContact O-CA 3.39Å; H39-S138 PolarHBondContact ND1-OG 2.73Å; H39-S138 WeakPolarHBondContact O-CA 3.36Å; H39-S138 WeakPolarHBondContact O-CB 3.34Å; H39-S138 PolarHBondContact O-N 3.13Å
40R96.8Very high95.9Very high21 Ų2137.9 Ų37.98%0.07922%0.216CC..SBendtrans-109.94.2-170.5-59-58.2-178.9164.1-5.6113.8S36 V49 A135 S138 R140 N141 E143 Y144S36-R40 PolarHBondContact OG-N 3.5Å; R40-V49 HydrophobicContact CB-CG1 4.04Å; R40-V49 HydrophobicContact CG-CG1 3.91Å; R40-A135 CarbonylContact O-C 3.5Å; R40-A135 PolarHBondContact O-N 2.77Å; R40-S138 PolarHBondContact NH1-O 2.86Å; R40-S138 PolarHBondContact NH2-O 2.84Å; R40-R140 PolarHBondContact NH1-O 3.17Å; R40-N141 HydrophobicContact CB-CB 4.11Å; R40-N141 WeakPolarHBondContact O-CB 3.39Å; R40-E143 IonicContact CZ-OE2 2.77Å; R40-E143 IonicContact NH1-OE2 2.65Å; R40-E143 PolarHBondContact NH1-OE2 3.09Å; R40-E143 IonicContact NH2-OE2 2.71Å; R40-Y144 HydrophobicContact CG-CD2 4.13Å; R40-Y144 HydrophobicContact CG-CG 4.21Å
41G97.1Very high95.8Very high0 Ų037.7 Ų37.70%022%0.216CC..SBendtrans-153.2-163168.400000110.1S36 T37 A135 G136S36-G41 CarbonylContact O-C 3.01Å; S36-G41 WeakPolarHBondContact O-CA 2.99Å; S36-G41 PolarHBondContact O-N 3.22Å; S36-G41 VanDerWaalsContact O-N 3.07Å; T37-G41 CarbonylContact C-O 3.57Å; G41-A135 WeakPolarHBondContact CA-O 3.33Å; G41-G136 VanDerWaalsContact O-CA 3.3Å; G41-G136 WeakPolarHBondContact O-CA 3.26Å
42V96.8Very high95.7Very high63 Ų6335.3 Ų35.338%0.38221%0.207SC..BIsolated β-bridgetrans-136.7161.8177.7-65.50000109.7T37 G44 K45T37-V42 WeakPolarHBondContact O-CA 3.48Å; V42-G44 PolarHBondContact O-N 3.27Å; V42-K45 HydrophobicContact CG2-CB 3.97Å; V42-K45 PolarHBondContact N-O 2.99Å; V42-K45 VanDerWaalsContact N-O 3.1Å; V42-K45 CarbonylContact O-C 3.6Å; V42-K45 PolarHBondContact O-N 2.95Å
43P95.5Very high95.6Very high108 Ų10836.4 Ų36.470%0.70121%0.214SC*.THydrogen-bonded Turntrans-54.3133.8172.5-24.436.3000110.9T37 K45T37-P43 WeakPolarHBondContact O-CD 3.32Å; P43-K45 PolarHBondContact O-N 3.49Å
44G96.4Very high95.5Very high85 Ų8542 Ų4288%0.87624%0.241SC*.THydrogen-bonded Turntrans81.2-16.8-174.700000115.4V42V42-G44 PolarHBondContact O-N 3.27Å
45K97Very high95.6Very high116 Ų11643.8 Ų43.850%0.50425%0.252SS..BIsolated β-bridgetrans-139.166.2170.4-164.1-177.9-176.5-173.30110.3V42 P43 N133V42-K45 HydrophobicContact CG2-CB 3.97Å; V42-K45 PolarHBondContact N-O 2.99Å; V42-K45 VanDerWaalsContact N-O 3.1Å; V42-K45 CarbonylContact O-C 3.6Å; V42-K45 PolarHBondContact O-N 2.95Å; P43-K45 PolarHBondContact O-N 3.49Å; K45-N133 WeakPolarHBondContact CE-O 3.42Å; K45-N133 PolarHBondContact NZ-O 2.97Å
46P97.1Very high95.7Very high34 Ų3449.4 Ų49.422%0.22129%0.287CS..  trans-65.7146.4-175.626.9-33.8000111.1T37 L119 Q130T37-P46 HydrophobicContact CG2-CB 3.95Å; P46-L119 HydrophobicContact CG-CD1 4.46Å; P46-Q130 PolarHBondContact O-NE2 3.39Å
47G97.9Very high95.8Very high0 Ų053.9 Ų53.90%032%0.324CS..EExtended strand (participates in β ladder)trans-78.8175.4162.500000111.2G35 S36 N141G35-G47 CarbonylContact C-O 3.39Å; G35-G47 VanDerWaalsContact CA-O 3.27Å; G35-G47 WeakPolarHBondContact CA-O 3.38Å; S36-G47 PolarHBondContact N-O 3.31Å; S36-G47 PolarHBondContact O-N 3.06Å; G47-N141 VanDerWaalsContact C-OD1 3.29Å; G47-N141 WeakPolarHBondContact CA-OD1 3.49Å
48R98Very high95.9Very high17 Ų1752.4 Ų52.46%0.06432%0.316CS..EExtended strand (participates in β ladder)trans-113.5128.3166-70.7-173.6169.9-97.70.9110.9F32 Q34 L119 G120 Q130 I131 N141F32-R48 HydrophobicContact CB-CB 4.34Å; F32-R48 WeakPolarHBondContact O-CD 3.24Å; F32-R48 PolarHBondContact O-NH1 2.93Å; Q34-R48 CarbonylContact O-C 3.56Å; Q34-R48 WeakPolarHBondContact O-CA 3.4Å; R48-L119 HydrophobicContact CG-CD1 4.04Å; R48-G120 PolarHBondContact NH1-O 2.88Å; R48-G120 VanDerWaalsContact NH1-O 3.08Å; R48-Q130 HydrophobicContact CG-CG 4.29Å; R48-I131 HydrophobicContact CB-CD1 4.24Å; R48-I131 HydrophobicContact CB-CG1 3.89Å; R48-N141 PolarHBondContact N-OD1 3.35Å; R48-N141 PolarHBondContact O-ND2 3.4Å; R48-N141 PolarHBondContact O-OD1 2.84Å
49V96Very high96.2Very high14 Ų1450.6 Ų50.69%0.08531%0.31CS..EExtended strand (participates in β ladder)trans-126.1170.2175.5-64.30000109.6F32 Q34 R40 Y144F32-V49 CarbonylContact C-O 3.5Å; F32-V49 WeakPolarHBondContact CA-O 3.28Å; Q34-V49 HydrophobicContact CB-CG2 3.89Å; Q34-V49 WeakPolarHBondContact CB-O 3.27Å; Q34-V49 HydrophobicContact CG-CG2 3.81Å; Q34-V49 PolarHBondContact N-O 3.45Å; Q34-V49 PolarHBondContact O-N 3.07Å; R40-V49 HydrophobicContact CB-CG1 4.04Å; R40-V49 HydrophobicContact CG-CG1 3.91Å; V49-Y144 HydrophobicContact CB-CE1 3.96Å; V49-Y144 HydrophobicContact CB-CE2 4.29Å; V49-Y144 HydrophobicContact CG1-CD1 4.24Å; V49-Y144 HydrophobicContact CG1-CD2 4.26Å; V49-Y144 HydrophobicContact CG1-CE1 4.06Å; V49-Y144 HydrophobicContact CG1-CE2 4.03Å; V49-Y144 HydrophobicContact CG1-CG 4.34Å
50V96.1Very high96.5Very high3 Ų346.3 Ų46.32%0.01829%0.29CS..EExtended strand (participates in β ladder)trans-80.9140.6-175.8-63.60000113.3Y6 R30 R31 F32 Y144 L148Y6-V50 HydrophobicContact CD2-CG2 3.89Å; Y6-V50 HydrophobicContact CE2-CG2 4.06Å; R30-V50 HydrophobicContact CG-CB 3.81Å; R30-V50 HydrophobicContact CG-CG1 3.71Å; R30-V50 HydrophobicContact CG-CG2 4.33Å; R31-V50 CarbonylContact O-C 3.59Å; R31-V50 VanDerWaalsContact O-CA 3.3Å; R31-V50 WeakPolarHBondContact O-CA 3.23Å; F32-V50 HydrophobicContact CD1-CG1 4.12Å; F32-V50 HydrophobicContact CD2-CG1 3.66Å; F32-V50 HydrophobicContact CE1-CG1 3.92Å; F32-V50 HydrophobicContact CE2-CG1 3.42Å; F32-V50 VanDerWaalsContact CE2-CG1 3.42Å; F32-V50 HydrophobicContact CG-CG1 4Å; F32-V50 HydrophobicContact CZ-CG1 3.56Å; V50-Y144 HydrophobicContact CG1-CE1 4.43Å; V50-Y144 WeakPolarHBondContact CG2-OH 3.4Å; V50-Y144 PolarHBondContact N-OH 2.88Å; V50-L148 HydrophobicContact CG1-CD2 3.67Å; V50-L148 HydrophobicContact CG2-CD2 4.2Å
51T94.5Very high96.5Very high0 Ų047.5 Ų47.50%030%0.295CS..EExtended strand (participates in β ladder)trans-126.4170159.6-169.70000109.4R31 W33 Q34 G111 Y118R31-T51 PolarHBondContact N-O 2.95Å; R31-T51 PolarHBondContact O-N 2.85Å; W33-T51 HydrophobicContact CB-CG2 4.24Å; Q34-T51 HydrophobicContact CB-CG2 4.17Å; T51-G111 PolarHBondContact OG1-N 3.34Å; T51-G111 PolarHBondContact OG1-O 2.93Å; T51-Y118 HydrophobicContact CG2-CD2 4.48Å; T51-Y118 HydrophobicContact CG2-CE2 4.18Å
52L95.6Very high96.6Very high4 Ų447.5 Ų47.52%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-100.9137.8171.6-59.4-171.1000109.8Y6 I25 Y28 S29 R30 V60 L108 I110Y6-L52 HydrophobicContact CD1-CD1 3.79Å; Y6-L52 HydrophobicContact CD1-CD2 4.35Å; Y6-L52 HydrophobicContact CD1-CG 4.02Å; Y6-L52 HydrophobicContact CD2-CD1 4.46Å; Y6-L52 HydrophobicContact CD2-CD2 3.58Å; Y6-L52 HydrophobicContact CD2-CG 3.84Å; Y6-L52 HydrophobicContact CE1-CD1 3.94Å; Y6-L52 HydrophobicContact CE1-CG 3.97Å; Y6-L52 HydrophobicContact CE2-CD2 3.96Å; Y6-L52 HydrophobicContact CE2-CG 3.79Å; Y6-L52 HydrophobicContact CG-CD1 4.06Å; Y6-L52 HydrophobicContact CG-CD2 3.79Å; Y6-L52 HydrophobicContact CG-CG 3.94Å; I25-L52 HydrophobicContact CD1-CD1 3.85Å; Y28-L52 HydrophobicContact CD1-CB 4.07Å; Y28-L52 HydrophobicContact CG-CB 4.48Å; Y28-L52 HydrophobicContact CG-CD1 4.47Å; S29-L52 WeakPolarHBondContact O-CA 3.45Å; R30-L52 HydrophobicContact CB-CD2 4Å; L52-V60 HydrophobicContact CD2-CG1 4.06Å; L52-V60 HydrophobicContact CD2-CG2 3.92Å; L52-L108 HydrophobicContact CD1-CD1 3.72Å; L52-L108 HydrophobicContact CD1-CD2 3.84Å; L52-L108 HydrophobicContact CD1-CG 4.16Å; L52-I110 HydrophobicContact CB-CG2 4.23Å; L52-I110 WeakPolarHBondContact O-CG2 3.4Å
53V94.6Very high96.6Very high24 Ų2444.9 Ų44.915%0.14528%0.279CS..EExtended strand (participates in β ladder)trans-117.1143.8170-64.40000109.1Y28 S29 R31 W33 D55Y28-V53 CarbonylContact C-O 3.5Å; Y28-V53 VanDerWaalsContact CA-O 3.23Å; Y28-V53 WeakPolarHBondContact CA-O 3.36Å; S29-V53 PolarHBondContact N-O 2.76Å; S29-V53 WeakPolarHBondContact O-CG2 3.41Å; S29-V53 PolarHBondContact O-N 3.02Å; R31-V53 HydrophobicContact CG-CG2 3.9Å; W33-V53 HydrophobicContact CE3-CG1 3.6Å; W33-V53 HydrophobicContact CZ3-CB 4.3Å; W33-V53 HydrophobicContact CZ3-CG1 3.71Å; W33-V53 HydrophobicContact CZ3-CG2 3.99Å; V53-D55 PolarHBondContact O-N 3.32Å
54E94.7Very high96.8Very high163 Ų16339.8 Ų39.876%0.76225%0.246SC*.EExtended strand (participates in β ladder)trans-60.4130.3173.4-68.2-178.5-176.400109.7Y28Y28-E54 HydrophobicContact CD1-CG 4.33Å; Y28-E54 HydrophobicContact CE1-CG 3.75Å
55D96.4Very high96.8Very high44 Ų4435.9 Ų35.924%0.23521%0.205CC..EExtended strand (participates in β ladder)trans-151.9105.4-178.7177.2-7.3000107.7N27 Y28 S29 V53 A57 G58N27-D55 CarbonylContact C-O 3.53Å; N27-D55 WeakPolarHBondContact CA-O 3.35Å; N27-D55 PolarHBondContact O-N 2.92Å; Y28-D55 PolarHBondContact N-O 2.92Å; S29-D55 WeakPolarHBondContact CB-OD2 3.3Å; S29-D55 PolarHBondContact OG-OD2 3.21Å; V53-D55 PolarHBondContact O-N 3.32Å; D55-A57 PolarHBondContact O-N 2.7Å; D55-A57 PolarHBondContact OD1-N 2.95Å; D55-A57 VanDerWaalsContact OD1-N 3.12Å; D55-G58 VanDerWaalsContact CG-N 3.33Å; D55-G58 WeakPolarHBondContact O-CA 3.4Å; D55-G58 PolarHBondContact O-N 3.27Å; D55-G58 PolarHBondContact OD1-N 3.38Å
56P96.6Very high96.9Very high121 Ų12135 Ų3579%0.78620%0.198SC*.EExtended strand (participates in β ladder)trans-56.4-27.2-175.2-2835.6000115
57A96.8Very high96.8Very high98 Ų9833.5 Ų33.581%0.8119%0.188SC*.EExtended strand (participates in β ladder)trans-100.6-0.7176.500000112.7D55D55-A57 PolarHBondContact O-N 2.7Å; D55-A57 PolarHBondContact OD1-N 2.95Å; D55-A57 VanDerWaalsContact OD1-N 3.12Å
58G96.8Very high96.7Very high5 Ų534.3 Ų34.35%0.05219%0.194CC..EExtended strand (participates in β ladder)trans-72.6146.4-174.200000113.3T26 N27 Y28 D55T26-G58 CarbonylContact C-O 3.51Å; T26-G58 WeakPolarHBondContact CA-O 3.27Å; N27-G58 PolarHBondContact N-O 2.81Å; Y28-G58 CarbonylContact O-C 3.55Å; Y28-G58 WeakPolarHBondContact O-CA 3.48Å; D55-G58 VanDerWaalsContact CG-N 3.33Å; D55-G58 WeakPolarHBondContact O-CA 3.4Å; D55-G58 PolarHBondContact O-N 3.27Å; D55-G58 PolarHBondContact OD1-N 3.38Å
59C97.1Very high96.5Very high52 Ų5238 Ų3835%0.35122%0.218SC..EExtended strand (participates in β ladder)trans-133.1134.6173.7-179.30000108.6Y24 I25 Y28Y24-C59 VanDerWaalsContact CD2-SG 3.55Å; I25-C59 WeakPolarHBondContact O-CA 3.36Å; Y28-C59 PolarHBondContact O-N 2.81Å; Y28-C59 VanDerWaalsContact O-N 3.12Å
60V98Very high96.4Very high0 Ų040.8 Ų40.80%025%0.249CC..EExtended strand (participates in β ladder)trans-124.1113.2176.6-1750000109.4F4 Y24 I25 Y28 R30 L52F4-V60 HydrophobicContact CE1-CG1 4.11Å; F4-V60 HydrophobicContact CZ-CG1 4.35Å; F4-V60 WeakPolarHBondContact CZ-O 3.46Å; Y24-V60 CarbonylContact C-O 3.58Å; Y24-V60 WeakPolarHBondContact CA-O 3.28Å; Y24-V60 WeakPolarHBondContact CB-O 3.47Å; I25-V60 HydrophobicContact CD1-CB 4.32Å; I25-V60 HydrophobicContact CG1-CB 3.8Å; I25-V60 HydrophobicContact CG1-CG2 4.4Å; I25-V60 PolarHBondContact N-O 3.09Å; I25-V60 PolarHBondContact O-N 3.27Å; Y28-V60 VanDerWaalsContact O-CG2 3.26Å; Y28-V60 WeakPolarHBondContact O-CG2 3.44Å; R30-V60 HydrophobicContact CB-CG1 4.1Å; R30-V60 HydrophobicContact CB-CG2 4.32Å; L52-V60 HydrophobicContact CD2-CG1 4.06Å; L52-V60 HydrophobicContact CD2-CG2 3.92Å
61W98.3Very high96.2Very high46 Ų4645.5 Ų45.517%0.17427%0.27CS..EExtended strand (participates in β ladder)trans-78.8138.9170.3-75.787.8000111.8G23 Y24 R30 K97 V156 A160G23-W61 WeakPolarHBondContact O-CA 3.24Å; Y24-W61 HydrophobicContact CD1-CD2 4.41Å; Y24-W61 HydrophobicContact CD1-CE3 4.41Å; Y24-W61 AromaticContact CD1-CH2 3.75Å; Y24-W61 HydrophobicContact CD1-CH2 3.75Å; Y24-W61 AromaticContact CD1-CZ2 3.71Å; Y24-W61 HydrophobicContact CD1-CZ2 3.71Å; Y24-W61 HydrophobicContact CD1-CZ3 4.1Å; Y24-W61 HydrophobicContact CE1-CH2 4.34Å; Y24-W61 HydrophobicContact CE1-CZ2 4.32Å; Y24-W61 HydrophobicContact CG-CZ2 4.42Å; R30-W61 VanDerWaalsContact CZ-O 3.28Å; R30-W61 PolarHBondContact NH1-O 2.9Å; R30-W61 PolarHBondContact NH2-O 3.03Å; W61-K97 HydrophobicContact CH2-CB 4.45Å; W61-K97 HydrophobicContact CH2-CG 4.19Å; W61-K97 HydrophobicContact CZ3-CB 3.96Å; W61-K97 HydrophobicContact CZ3-CD 4.29Å; W61-K97 HydrophobicContact CZ3-CG 3.98Å; W61-V156 HydrophobicContact CB-CG2 4.1Å; W61-V156 HydrophobicContact CD2-CB 4.34Å; W61-V156 HydrophobicContact CD2-CG1 3.51Å; W61-V156 HydrophobicContact CD2-CG2 4.22Å; W61-V156 HydrophobicContact CE3-CG1 3.32Å; W61-V156 HydrophobicContact CG-CG1 4.2Å; W61-V156 HydrophobicContact CG-CG2 4.01Å; W61-V156 HydrophobicContact CH2-CG1 3.82Å; W61-V156 HydrophobicContact CZ2-CG1 4.01Å; W61-V156 HydrophobicContact CZ3-CG1 3.48Å; W61-V156 VanDerWaalsContact CZ3-CG1 3.48Å; W61-A160 HydrophobicContact CG-CB 4.24Å
62G97.8Very high96.1Very high1 Ų147.7 Ų47.71%0.0128%0.28CS..EExtended strand (participates in β ladder)trans-169.5-154.9-179.300000112.1G5 G23G5-G62 WeakPolarHBondContact O-CA 3.32Å; G23-G62 PolarHBondContact N-O 2.99Å; G23-G62 VanDerWaalsContact N-O 3.16Å; G23-G62 PolarHBondContact O-N 3.1Å; G23-G62 VanDerWaalsContact O-O 3.1Å
63V97.9Very high96Very high8 Ų854 Ų545%0.04831%0.309CS..EExtended strand (participates in β ladder)trans-130.5128-178.3-177.10000109.6G5 I10 K20 L21 Y65 L155G5-V63 PolarHBondContact N-O 3.26Å; G5-V63 PolarHBondContact O-N 3.39Å; G5-V63 VanDerWaalsContact O-N 3.08Å; I10-V63 HydrophobicContact CG2-CG2 4.12Å; K20-V63 HydrophobicContact CB-CG1 3.94Å; K20-V63 HydrophobicContact CD-CG1 4.46Å; L21-V63 CarbonylContact O-C 3.51Å; L21-V63 WeakPolarHBondContact O-CA 3.42Å; V63-Y65 HydrophobicContact CB-CD2 4.48Å; V63-Y65 HydrophobicContact CB-CE2 3.66Å; V63-Y65 HydrophobicContact CG1-CD1 4.44Å; V63-Y65 HydrophobicContact CG1-CD2 4.16Å; V63-Y65 HydrophobicContact CG1-CE1 3.91Å; V63-Y65 HydrophobicContact CG1-CE2 3.57Å; V63-Y65 VanDerWaalsContact CG1-CZ 3.41Å; V63-L155 HydrophobicContact CG2-CD1 3.92Å
64A98.4Very high95.8Very high0 Ų058.9 Ų58.90%033%0.33CS..EExtended strand (participates in β ladder)trans-90.7127.5169.400000109.6W2 V3 K20 L21 F94 F104 V106W2-A64 HydrophobicContact CE3-CB 3.88Å; W2-A64 HydrophobicContact CZ3-CB 4.35Å; V3-A64 CarbonylContact O-C 3.57Å; V3-A64 WeakPolarHBondContact O-CA 3.41Å; K20-A64 CarbonylContact C-O 3.02Å; K20-A64 VanDerWaalsContact CA-O 3.22Å; K20-A64 WeakPolarHBondContact CA-O 3.42Å; L21-A64 PolarHBondContact N-O 3.31Å; L21-A64 PolarHBondContact O-N 3.43Å; A64-F94 HydrophobicContact CB-CD1 3.92Å; A64-F94 HydrophobicContact CB-CD2 4.02Å; A64-F94 HydrophobicContact CB-CE1 3.72Å; A64-F94 HydrophobicContact CB-CE2 3.82Å; A64-F94 HydrophobicContact CB-CG 4.05Å; A64-F94 HydrophobicContact CB-CZ 3.64Å; A64-F104 HydrophobicContact CB-CE2 4.48Å; A64-F104 HydrophobicContact CB-CZ 4.33Å; A64-V106 HydrophobicContact CB-CG1 4.03Å
65Y98.1Very high95.6Very high3 Ų351.3 Ų51.31%0.01230%0.295CS..EExtended strand (participates in β ladder)trans-108125.7178.4-63.5-89.6000110.3W2 V3 L9 I10 V13 F15 Y17 K20 V63 L67W2-Y65 CarbonylContact C-O 3.52Å; W2-Y65 VanDerWaalsContact CA-O 3.25Å; W2-Y65 WeakPolarHBondContact CA-O 3.49Å; W2-Y65 VanDerWaalsContact CE3-C 3.47Å; V3-Y65 PolarHBondContact N-O 2.8Å; V3-Y65 PolarHBondContact O-N 3.1Å; L9-Y65 PolarHBondContact O-OH 2.89Å; I10-Y65 PolarHBondContact O-OH 3.17Å; V13-Y65 HydrophobicContact CG2-CD1 4.28Å; V13-Y65 HydrophobicContact CG2-CE1 3.55Å; V13-Y65 HydrophobicContact CG2-CE2 4.32Å; F15-Y65 HydrophobicContact CE2-CG 4.37Å; F15-Y65 HydrophobicContact CZ-CD2 4.48Å; F15-Y65 HydrophobicContact CZ-CG 4.34Å; Y17-Y65 AromaticContact CD1-CD1 3.95Å; Y17-Y65 HydrophobicContact CD1-CD1 3.95Å; Y17-Y65 HydrophobicContact CD1-CE1 4.47Å; Y17-Y65 HydrophobicContact CD2-CD1 4.13Å; Y17-Y65 HydrophobicContact CE1-CD1 4.24Å; Y17-Y65 HydrophobicContact CE1-CE1 4.32Å; Y17-Y65 HydrophobicContact CE2-CD1 4.43Å; Y17-Y65 AromaticContact CG-CD1 3.9Å; Y17-Y65 HydrophobicContact CG-CD1 3.9Å; K20-Y65 HydrophobicContact CB-CD1 3.82Å; K20-Y65 HydrophobicContact CB-CE1 3.96Å; K20-Y65 HydrophobicContact CD-CE1 4.02Å; V63-Y65 HydrophobicContact CB-CD2 4.48Å; V63-Y65 HydrophobicContact CB-CE2 3.66Å; V63-Y65 HydrophobicContact CG1-CD1 4.44Å; V63-Y65 HydrophobicContact CG1-CD2 4.16Å; V63-Y65 HydrophobicContact CG1-CE1 3.91Å; V63-Y65 HydrophobicContact CG1-CE2 3.57Å; V63-Y65 VanDerWaalsContact CG1-CZ 3.41Å; Y65-L67 PolarHBondContact O-N 3.34Å
66R97.7Very high95.3Very high99 Ų9951 Ų5137%0.37429%0.292SS..EExtended strand (participates in β ladder)trans-81.2117.6174.3-171.2177.9176.9166.31.1109.4W2 Y17 Q18 D19W2-R66 HydrophobicContact CD2-CB 3.74Å; W2-R66 HydrophobicContact CD2-CG 4.15Å; W2-R66 HydrophobicContact CE3-CB 3.73Å; W2-R66 VanDerWaalsContact CE3-N 3.29Å; W2-R66 HydrophobicContact CH2-CB 3.71Å; W2-R66 HydrophobicContact CH2-CG 4.41Å; W2-R66 HydrophobicContact CZ2-CB 3.72Å; W2-R66 HydrophobicContact CZ2-CG 3.93Å; W2-R66 HydrophobicContact CZ3-CB 3.71Å; Y17-R66 CarbonylContact C-O 2.97Å; Y17-R66 VanDerWaalsContact CA-O 3.29Å; Y17-R66 WeakPolarHBondContact CA-O 3.38Å; Y17-R66 WeakPolarHBondContact CB-O 3.5Å; Q18-R66 HydrophobicContact CB-CG 4.49Å; Q18-R66 PolarHBondContact N-O 3.47Å; D19-R66 HydrophobicContact CB-CB 3.77Å; D19-R66 PolarHBondContact O-N 2.94Å
67L96Very high95Very high1 Ų148 Ų481%0.00528%0.277CS..PPolyproline II helixtrans-69.4149175.4-56.6-170.7000110.6M1 V3 F15 Y65 V69 E72 V75M1-L67 HydrophobicContact CB-CD1 4.16Å; M1-L67 HydrophobicContact CB-CG 4.47Å; M1-L67 HydrophobicContact CG-CD1 4.15Å; M1-L67 PolarHBondContact O-N 2.97Å; M1-L67 HydrophobicContact SD-CD1 3.89Å; V3-L67 HydrophobicContact CG2-CD1 3.87Å; V3-L67 HydrophobicContact CG2-CD2 4Å; V3-L67 HydrophobicContact CG2-CG 4.04Å; F15-L67 HydrophobicContact CD2-CD2 4.06Å; F15-L67 HydrophobicContact CE2-CD2 3.92Å; Y65-L67 PolarHBondContact O-N 3.34Å; L67-V69 PolarHBondContact O-N 3.43Å; L67-E72 HydrophobicContact CB-CG 4.12Å; L67-V75 HydrophobicContact CD1-CB 4.09Å; L67-V75 HydrophobicContact CD1-CG1 4Å; L67-V75 HydrophobicContact CD2-CB 4.31Å; L67-V75 HydrophobicContact CD2-CG1 3.59Å; L67-V75 HydrophobicContact CG-CG1 4.36Å
68P95Very high94.7Very high18 Ų1848 Ų4812%0.11726%0.257CS..PPolyproline II helixtrans-62.6133.1179.9-17.430000111.5P16 Q18 G70 K71P16-P68 HydrophobicContact CB-CG 3.89Å; P16-P68 HydrophobicContact CG-CG 4.07Å; P16-P68 WeakPolarHBondContact O-CD 3.49Å; Q18-P68 HydrophobicContact CG-CB 4.15Å; P68-G70 PolarHBondContact O-N 3.31Å; P68-K71 HydrophobicContact CB-CB 4.23Å; P68-K71 PolarHBondContact O-N 2.88Å
69V94Very high94.3Very high95 Ų9547.9 Ų47.958%0.57626%0.255SS*.THydrogen-bonded Turntrans-57.5126.3176.1176.40000109.9L67L67-V69 PolarHBondContact O-N 3.43Å
70G94.6Very high93.9Very high72 Ų7248.4 Ų48.474%0.74225%0.254SS*.THydrogen-bonded Turntrans87.5-2.4-177.500000114.7P68 E72P68-G70 PolarHBondContact O-N 3.31Å; G70-E72 WeakPolarHBondContact CA-OE2 3.12Å; G70-E72 PolarHBondContact N-OE2 3.43Å
71K92.3Very high93.3Very high102 Ų10255 Ų5544%0.44328%0.283SS..  trans-123.411.4177.3-62.6-164.5171.2-157.70113.4P68 E73 E74 V75P68-K71 HydrophobicContact CB-CB 4.23Å; P68-K71 PolarHBondContact O-N 2.88Å; K71-E73 PolarHBondContact O-N 2.93Å; K71-E74 PolarHBondContact O-N 2.86Å; K71-V75 PolarHBondContact O-N 3.4Å; K71-V75 VanDerWaalsContact O-N 3.07Å
72E92.3Very high92.5Very high46 Ų4655.8 Ų55.822%0.21529%0.286CS..Hα-helixtrans-58.4-45.6-175-65.993.715000112.5M1 L67 G70 V75 K76M1-E72 HydrophobicContact CB-CB 4Å; M1-E72 HydrophobicContact CB-CG 3.63Å; M1-E72 HydrophobicContact CE-CB 4.22Å; L67-E72 HydrophobicContact CB-CG 4.12Å; G70-E72 WeakPolarHBondContact CA-OE2 3.12Å; G70-E72 PolarHBondContact N-OE2 3.43Å; E72-V75 PolarHBondContact O-N 3.38Å; E72-K76 VanDerWaalsContact O-CB 3.23Å; E72-K76 WeakPolarHBondContact O-CB 3.14Å; E72-K76 PolarHBondContact O-N 2.97Å
73E91.7Very high91.6Very high135 Ų13557.3 Ų57.363%0.63129%0.293SS*.Hα-helixtrans-68.1-36.1-179.5-64.7-56.2140.500112.7K71 K76 A77K71-E73 PolarHBondContact O-N 2.93Å; E73-K76 PolarHBondContact O-N 2.98Å; E73-A77 VanDerWaalsContact O-CB 3.26Å; E73-A77 WeakPolarHBondContact O-CB 3.3Å; E73-A77 PolarHBondContact O-N 3.34Å
74E92.2Very high90.4Very high127 Ų12763.9 Ų63.959%0.59332%0.321SS*.Hα-helixtrans-63.6-48.7176.1-176.1-170.4168.300110.6K71 A77 Y78K71-E74 PolarHBondContact O-N 2.86Å; E74-A77 PolarHBondContact O-N 2.9Å; E74-Y78 PolarHBondContact O-N 2.83Å
75V90.1Very high88.8Confident5 Ų565.6 Ų65.63%0.0334%0.339CS..Hα-helixtrans-69.3-37.3178.9177.70000111.1F15 P16 L67 K71 E72 Y78 L79F15-V75 HydrophobicContact CB-CG1 3.75Å; F15-V75 HydrophobicContact CD2-CG1 3.87Å; F15-V75 HydrophobicContact CG-CG1 3.87Å; P16-V75 HydrophobicContact CG-CG2 3.92Å; L67-V75 HydrophobicContact CD1-CB 4.09Å; L67-V75 HydrophobicContact CD1-CG1 4Å; L67-V75 HydrophobicContact CD2-CB 4.31Å; L67-V75 HydrophobicContact CD2-CG1 3.59Å; L67-V75 HydrophobicContact CG-CG1 4.36Å; K71-V75 PolarHBondContact O-N 3.4Å; K71-V75 VanDerWaalsContact O-N 3.07Å; E72-V75 PolarHBondContact O-N 3.38Å; V75-Y78 WeakPolarHBondContact O-CB 3.47Å; V75-Y78 PolarHBondContact O-N 3.18Å; V75-L79 HydrophobicContact CG1-CD1 4.18Å; V75-L79 HydrophobicContact CG1-CG 4.47Å; V75-L79 WeakPolarHBondContact O-CG 3.35Å; V75-L79 PolarHBondContact O-N 2.96Å
76K90.2Very high87.6Confident38 Ų3866.6 Ų66.617%0.16535%0.35CS..Hα-helixtrans-62.8-45.4174.2-169.1-166.6176.7-54.10111M1 E72 E73 Y78 L79 D80 L107M1-K76 HydrophobicContact CE-CD 4.36Å; M1-K76 HydrophobicContact SD-CB 4.45Å; M1-K76 HydrophobicContact SD-CD 4.43Å; E72-K76 VanDerWaalsContact O-CB 3.23Å; E72-K76 WeakPolarHBondContact O-CB 3.14Å; E72-K76 PolarHBondContact O-N 2.97Å; E73-K76 PolarHBondContact O-N 2.98Å; K76-Y78 VanDerWaalsContact C-N 3.29Å; K76-Y78 PolarHBondContact O-N 2.9Å; K76-L79 CarbonylContact O-C 3.15Å; K76-L79 PolarHBondContact O-N 3.5Å; K76-L79 VanDerWaalsContact O-N 3.13Å; K76-D80 IonicContact NZ-OD1 2.79Å; K76-D80 PolarHBondContact NZ-OD1 2.84Å; K76-D80 IonicContact NZ-OD2 3.05Å; K76-D80 PolarHBondContact NZ-OD2 3.37Å; K76-D80 WeakPolarHBondContact O-CB 3.48Å; K76-D80 VanDerWaalsContact O-CG 3.22Å; K76-D80 PolarHBondContact O-N 3.08Å; K76-L107 HydrophobicContact CD-CD2 4.42Å; K76-L107 HydrophobicContact CG-CD2 4.11Å
77A90.8Very high86.8Confident56 Ų5664.6 Ų64.646%0.46334%0.342SS..Hα-helixtrans-61.3-38.3177.100000112.2E73 E74 F81E73-A77 VanDerWaalsContact O-CB 3.26Å; E73-A77 WeakPolarHBondContact O-CB 3.3Å; E73-A77 PolarHBondContact O-N 3.34Å; E74-A77 PolarHBondContact O-N 2.9Å; A77-F81 PolarHBondContact O-N 3.17Å
78Y90.2Very high86.3Confident100 Ų10071.5 Ų71.539%0.39237%0.368SS..Hα-helixtrans-61.1-47.2172.1174.3-98.1000112.1D14 F15 E74 V75 K76 F81 R82D14-Y78 PolarHBondContact OD2-OH 3.01Å; F15-Y78 HydrophobicContact CB-CD1 4.36Å; F15-Y78 HydrophobicContact CB-CE1 4.48Å; E74-Y78 PolarHBondContact O-N 2.83Å; V75-Y78 WeakPolarHBondContact O-CB 3.47Å; V75-Y78 PolarHBondContact O-N 3.18Å; K76-Y78 VanDerWaalsContact C-N 3.29Å; K76-Y78 PolarHBondContact O-N 2.9Å; Y78-F81 PolarHBondContact O-N 3.19Å; Y78-R82 WeakPolarHBondContact O-CB 3.42Å; Y78-R82 PolarHBondContact O-N 2.85Å
79L88.4Confident86.1Confident1 Ų173.8 Ų73.81%0.00538%0.382CS..Hα-helixtrans-65.8-41.2177.8-71.3172.4000112.3V3 F15 V75 K76 F81 R82 E83 Y109V3-L79 HydrophobicContact CB-CD1 4.49Å; V3-L79 HydrophobicContact CG1-CD1 4.06Å; V3-L79 HydrophobicContact CG2-CD1 3.85Å; F15-L79 HydrophobicContact CD1-CD2 3.75Å; F15-L79 HydrophobicContact CD1-CG 4.39Å; F15-L79 HydrophobicContact CE1-CD1 4.39Å; F15-L79 HydrophobicContact CE1-CD2 3.74Å; V75-L79 HydrophobicContact CG1-CD1 4.18Å; V75-L79 HydrophobicContact CG1-CG 4.47Å; V75-L79 WeakPolarHBondContact O-CG 3.35Å; V75-L79 PolarHBondContact O-N 2.96Å; K76-L79 CarbonylContact O-C 3.15Å; K76-L79 PolarHBondContact O-N 3.5Å; K76-L79 VanDerWaalsContact O-N 3.13Å; L79-F81 VanDerWaalsContact C-N 3.28Å; L79-F81 PolarHBondContact O-N 2.92Å; L79-R82 PolarHBondContact O-N 3.5Å; L79-E83 WeakPolarHBondContact O-CG 3.38Å; L79-E83 PolarHBondContact O-N 2.93Å; L79-Y109 HydrophobicContact CB-CE1 4.24Å; L79-Y109 HydrophobicContact CB-CE2 3.99Å; L79-Y109 VanDerWaalsContact CB-OH 3.24Å; L79-Y109 WeakPolarHBondContact CB-OH 3.46Å; L79-Y109 HydrophobicContact CD1-CE2 4.05Å
80D88.3Confident86.1Confident63 Ų6371.9 Ų71.934%0.33737%0.371SS..Hα-helixtrans-59.2-40.1174.9-69.8-26.6000111K76 K84 Y109K76-D80 IonicContact NZ-OD1 2.79Å; K76-D80 PolarHBondContact NZ-OD1 2.84Å; K76-D80 IonicContact NZ-OD2 3.05Å; K76-D80 PolarHBondContact NZ-OD2 3.37Å; K76-D80 WeakPolarHBondContact O-CB 3.48Å; K76-D80 VanDerWaalsContact O-CG 3.22Å; K76-D80 PolarHBondContact O-N 3.08Å; D80-K84 PolarHBondContact O-N 2.86Å; D80-Y109 WeakPolarHBondContact OD1-CE1 3.48Å; D80-Y109 PolarHBondContact OD1-OH 2.84Å
81F85Confident86.2Confident139 Ų13972.6 Ų72.661%0.6136%0.361SS*.Hα-helixtrans-69.8-39.9175.7-179.3-98000112.6A77 Y78 L79 E83 K84A77-F81 PolarHBondContact O-N 3.17Å; Y78-F81 PolarHBondContact O-N 3.19Å; L79-F81 VanDerWaalsContact C-N 3.28Å; L79-F81 PolarHBondContact O-N 2.92Å; F81-E83 VanDerWaalsContact C-N 3.34Å; F81-K84 HydrophobicContact CD2-CD 4.39Å; F81-K84 HydrophobicContact CE2-CD 4.31Å; F81-K84 WeakPolarHBondContact O-CB 3.26Å; F81-K84 VanDerWaalsContact O-CD 3.31Å; F81-K84 WeakPolarHBondContact O-CD 3.47Å; F81-K84 VanDerWaalsContact O-CG 3.24Å; F81-K84 WeakPolarHBondContact O-CG 3.39Å; F81-K84 PolarHBondContact O-N 3.33Å
82R81.9Confident86.4Confident62 Ų6268.7 Ų68.723%0.23435%0.345CS..Hα-helixtrans-62.6-42177.3-179.4179.7142161.20.8111.3S8 D14 Y78 L79S8-R82 PolarHBondContact OG-NH2 2.92Å; D14-R82 IonicContact OD1-NH1 2.83Å; D14-R82 PolarHBondContact OD1-NH1 3.3Å; D14-R82 IonicContact OD2-CZ 3.41Å; D14-R82 IonicContact OD2-NH1 2.95Å; D14-R82 PolarHBondContact OD2-NH1 2.96Å; Y78-R82 WeakPolarHBondContact O-CB 3.42Å; Y78-R82 PolarHBondContact O-N 2.85Å; L79-R82 PolarHBondContact O-N 3.5Å
83E77.7Confident86.7Confident33 Ų3369.9 Ų69.915%0.15435%0.353CS..THydrogen-bonded Turntrans-97.218.8-176-51.8-57.9156.500113.1L79 F81 G85 Y87 Y109L79-E83 WeakPolarHBondContact O-CG 3.38Å; L79-E83 PolarHBondContact O-N 2.93Å; F81-E83 VanDerWaalsContact C-N 3.34Å; E83-G85 PolarHBondContact O-N 2.89Å; E83-Y87 HydrophobicContact CB-CD2 4.01Å; E83-Y87 HydrophobicContact CB-CG 3.89Å; E83-Y87 WeakPolarHBondContact O-CB 3.47Å; E83-Y87 WeakPolarHBondContact O-CD2 3.38Å; E83-Y109 HydrophobicContact CB-CD1 3.9Å; E83-Y109 HydrophobicContact CB-CE1 4.47Å; E83-Y109 HydrophobicContact CG-CD1 3.92Å; E83-Y109 HydrophobicContact CG-CE1 4.49Å; E83-Y109 HydrophobicContact CG-CG 4.22Å
84K72.9Confident87.1Confident147 Ų14763.5 Ų63.564%0.63932%0.323SS*.THydrogen-bonded Turntrans-56.2-20.5-176.966.9-174.9172.8-171.50115.2D80 F81 G86D80-K84 PolarHBondContact O-N 2.86Å; F81-K84 HydrophobicContact CD2-CD 4.39Å; F81-K84 HydrophobicContact CE2-CD 4.31Å; F81-K84 WeakPolarHBondContact O-CB 3.26Å; F81-K84 VanDerWaalsContact O-CD 3.31Å; F81-K84 WeakPolarHBondContact O-CD 3.47Å; F81-K84 VanDerWaalsContact O-CG 3.24Å; F81-K84 WeakPolarHBondContact O-CG 3.39Å; F81-K84 PolarHBondContact O-N 3.33Å; K84-G86 PolarHBondContact O-N 3.2Å
85G66.2Low87.4Confident36 Ų3661 Ų6137%0.37131%0.309SS..THydrogen-bonded Turntrans-79.554.1-177.300000113.5E83 N115E83-G85 PolarHBondContact O-N 2.89Å; G85-N115 PolarHBondContact O-ND2 3.2Å; G85-N115 PolarHBondContact O-OD1 3.01Å; G85-N115 VanDerWaalsContact O-OD1 3.09Å
86G72.7Confident87.8Confident24 Ų2461.5 Ų61.525%0.24731%0.312CS..THydrogen-bonded Turntrans92.517.4169.700000116.7K84 T112K84-G86 PolarHBondContact O-N 3.2Å; G86-T112 PolarHBondContact O-N 2.97Å; G86-T112 PolarHBondContact O-OG1 3.45Å
87Y79.4Confident88.1Confident56 Ų5665.1 Ų65.122%0.2233%0.328CS..EExtended strand (participates in β ladder)trans-86.2143.1171.1-69.6-108.4000111.6Y6 E83 I110Y6-Y87 WeakPolarHBondContact OH-CE1 3.46Å; E83-Y87 HydrophobicContact CB-CD2 4.01Å; E83-Y87 HydrophobicContact CB-CG 3.89Å; E83-Y87 WeakPolarHBondContact O-CB 3.47Å; E83-Y87 WeakPolarHBondContact O-CD2 3.38Å; Y87-I110 CarbonylContact C-O 3.53Å; Y87-I110 VanDerWaalsContact CA-O 3.24Å; Y87-I110 WeakPolarHBondContact CA-O 3.08Å
88R86.4Confident88.3Confident146 Ų14666 Ų6655%0.55133%0.325SS*.EExtended strand (participates in β ladder)trans-108.5152.8166.4-69.9177-157.7173.810.3109.2Y109 I110 T112 D114R88-Y109 CarbonylContact O-C 3.59Å; R88-Y109 WeakPolarHBondContact O-CA 3.23Å; R88-I110 PolarHBondContact N-O 3.22Å; R88-I110 PolarHBondContact O-N 3.33Å; R88-T112 HydrophobicContact CB-CG2 4Å; R88-T112 HydrophobicContact CG-CG2 3.55Å; R88-T112 VanDerWaalsContact NE-CG2 3.29Å; R88-D114 IonicContact NH2-OD2 3.87Å; R88-D114 PolarHBondContact NH2-OD2 3.17Å
89T91Very high88.5Confident67 Ų6767 Ų6741%0.41134%0.343SS..EExtended strand (participates in β ladder)trans-99.3140.4173.151.50000110.7L107 L108 Y109T89-L107 HydrophobicContact CG2-CD1 4.25Å; T89-L108 CarbonylContact C-O 3.52Å; T89-L108 VanDerWaalsContact CA-O 3.28Å; T89-L108 WeakPolarHBondContact CA-O 3.22Å; T89-Y109 HydrophobicContact CG2-CD1 3.58Å; T89-Y109 HydrophobicContact CG2-CE1 3.35Å; T89-Y109 HydrophobicContact CG2-CE2 4.37Å; T89-Y109 HydrophobicContact CG2-CG 4.17Å
90T93.6Very high88.9Confident54 Ų5472.4 Ų72.433%0.33138%0.376SS..EExtended strand (participates in β ladder)trans-141.4168.2170.3-169.70000109.9V92 L108 I110T90-V92 HydrophobicContact CG2-CG1 4.18Å; T90-L108 HydrophobicContact CG2-CB 4.03Å; T90-L108 HydrophobicContact CG2-CD2 4.14Å; T90-L108 HydrophobicContact CG2-CG 4.42Å; T90-L108 PolarHBondContact N-O 3.34Å; T90-L108 PolarHBondContact O-N 3.34Å; T90-I110 HydrophobicContact CG2-CD1 3.68Å; T90-I110 HydrophobicContact CG2-CG1 4.37Å
91T96.6Very high89.3Confident87 Ų8771.6 Ų71.653%0.53437%0.374SS..EExtended strand (participates in β ladder)trans-112.9130174.2-58.80000109.5V106T91-V106 WeakPolarHBondContact CA-O 3.33Å
92V97.6Very high90Very high20 Ų2073.5 Ų73.512%0.12138%0.382CS..EExtended strand (participates in β ladder)trans-128.9163178.4-61.30000110.5I25 Y28 T90 S105 V106 L108I25-V92 HydrophobicContact CB-CG2 4.15Å; I25-V92 HydrophobicContact CD1-CG2 4.32Å; I25-V92 HydrophobicContact CG2-CG2 3.66Å; Y28-V92 HydrophobicContact CE2-CG1 3.82Å; T90-V92 HydrophobicContact CG2-CG1 4.18Å; V92-S105 WeakPolarHBondContact O-CA 3.35Å; V92-V106 HydrophobicContact CG2-CG2 3.67Å; V92-V106 PolarHBondContact N-O 2.96Å; V92-V106 VanDerWaalsContact N-O 3.08Å; V92-V106 PolarHBondContact O-N 3.38Å; V92-L108 HydrophobicContact CG1-CD2 3.92Å; V92-L108 HydrophobicContact CG2-CB 4.25Å; V92-L108 HydrophobicContact CG2-CD2 3.98Å
93I98.5Very high90.7Very high72 Ų7273.9 Ų73.937%0.36939%0.393SS..EExtended strand (participates in β ladder)trans-81.7125.4172.4-56.1-57.4000109Y95 P103I93-Y95 HydrophobicContact CB-CE2 4.03Å; I93-Y95 HydrophobicContact CG2-CD2 4.25Å; I93-Y95 HydrophobicContact CG2-CE1 4.16Å; I93-Y95 HydrophobicContact CG2-CE2 3.71Å; I93-P103 HydrophobicContact CG2-CB 3.73Å
94F98.7Very high91.7Very high0 Ų074.3 Ų74.30%039%0.394CS..EExtended strand (participates in β ladder)trans-96.3134.2170.1174.7-101.6000109.7F4 L21 G23 I25 A64 P96 P103 F104 V106F4-F94 AromaticContact CD2-CD2 3.71Å; F4-F94 HydrophobicContact CD2-CD2 3.71Å; F4-F94 AromaticContact CD2-CE2 3.89Å; F4-F94 HydrophobicContact CD2-CE2 3.89Å; F4-F94 AromaticContact CE2-CD2 3.78Å; F4-F94 HydrophobicContact CE2-CD2 3.78Å; F4-F94 AromaticContact CE2-CE2 3.72Å; F4-F94 HydrophobicContact CE2-CE2 3.72Å; L21-F94 HydrophobicContact CB-CE1 3.97Å; L21-F94 HydrophobicContact CB-CZ 4.23Å; L21-F94 WeakPolarHBondContact O-CZ 3.01Å; G23-F94 VanDerWaalsContact C-CE2 3.42Å; G23-F94 VanDerWaalsContact CA-CE2 3.44Å; I25-F94 HydrophobicContact CG2-CD2 4.34Å; A64-F94 HydrophobicContact CB-CD1 3.92Å; A64-F94 HydrophobicContact CB-CD2 4.02Å; A64-F94 HydrophobicContact CB-CE1 3.72Å; A64-F94 HydrophobicContact CB-CE2 3.82Å; A64-F94 HydrophobicContact CB-CG 4.05Å; A64-F94 HydrophobicContact CB-CZ 3.64Å; F94-P96 HydrophobicContact CD1-CG 3.96Å; F94-P96 HydrophobicContact CE1-CB 4.1Å; F94-P96 HydrophobicContact CE1-CG 3.81Å; F94-P96 WeakPolarHBondContact O-CD 3.16Å; F94-P103 WeakPolarHBondContact O-CA 3.42Å; F94-P103 WeakPolarHBondContact O-CB 3.47Å; F94-F104 HydrophobicContact CD1-CD1 4.48Å; F94-F104 AromaticContact CD1-CE1 3.75Å; F94-F104 HydrophobicContact CD1-CE1 3.75Å; F94-F104 HydrophobicContact CD1-CE2 4.03Å; F94-F104 AromaticContact CD1-CZ 3.49Å; F94-F104 HydrophobicContact CD1-CZ 3.49Å; F94-F104 VanDerWaalsContact CD1-CZ 3.49Å; F94-F104 HydrophobicContact CE1-CE1 4.16Å; F94-F104 AromaticContact CE1-CZ 3.89Å; F94-F104 HydrophobicContact CE1-CZ 3.89Å; F94-F104 HydrophobicContact CG-CZ 4.48Å; F94-F104 PolarHBondContact N-O 2.96Å; F94-F104 PolarHBondContact O-N 3.47Å; F94-F104 VanDerWaalsContact O-N 3.11Å; F94-V106 HydrophobicContact CB-CB 4.28Å; F94-V106 HydrophobicContact CB-CG1 3.45Å; F94-V106 VanDerWaalsContact CB-CG1 3.45Å; F94-V106 HydrophobicContact CB-CG2 3.77Å; F94-V106 HydrophobicContact CG-CG1 4.05Å
95Y98.5Very high92.9Very high75 Ų7570.6 Ų70.629%0.29439%0.387SS..EExtended strand (participates in β ladder)trans-109.2102.9178.2-62.8-92.8000108.4G23 Y24 T26 I93 P103G23-Y95 CarbonylContact C-O 3.53Å; G23-Y95 WeakPolarHBondContact CA-O 3.31Å; Y24-Y95 HydrophobicContact CD2-CD2 4.14Å; Y24-Y95 HydrophobicContact CD2-CG 4.4Å; Y24-Y95 HydrophobicContact CE1-CG 4.49Å; Y24-Y95 AromaticContact CE2-CD2 3.75Å; Y24-Y95 HydrophobicContact CE2-CD2 3.75Å; Y24-Y95 AromaticContact CE2-CG 3.76Å; Y24-Y95 HydrophobicContact CE2-CG 3.76Å; Y24-Y95 AromaticContact CZ-CG 3.81Å; Y24-Y95 PolarHBondContact N-O 3.09Å; Y24-Y95 PolarHBondContact O-N 3.1Å; T26-Y95 HydrophobicContact CG2-CD2 4.37Å; T26-Y95 HydrophobicContact CG2-CE2 4.1Å; I93-Y95 HydrophobicContact CB-CE2 4.03Å; I93-Y95 HydrophobicContact CG2-CD2 4.25Å; I93-Y95 HydrophobicContact CG2-CE1 4.16Å; I93-Y95 HydrophobicContact CG2-CE2 3.71Å; Y95-P103 HydrophobicContact CD1-CB 3.88Å; Y95-P103 HydrophobicContact CD1-CG 3.55Å; Y95-P103 HydrophobicContact CE1-CB 4.07Å; Y95-P103 HydrophobicContact CE1-CG 3.9Å; Y95-P103 HydrophobicContact CG-CB 4.48Å; Y95-P103 HydrophobicContact CG-CG 4.45Å
96P98.4Very high94.5Very high16 Ų1669 Ų6910%0.10437%0.369CS..EExtended strand (participates in β ladder)trans-58.1145178.2-2433.9000112F94 D98 T101 F104F94-P96 HydrophobicContact CD1-CG 3.96Å; F94-P96 HydrophobicContact CE1-CB 4.1Å; F94-P96 HydrophobicContact CE1-CG 3.81Å; F94-P96 WeakPolarHBondContact O-CD 3.16Å; P96-D98 PolarHBondContact O-N 3.38Å; P96-T101 HydrophobicContact CB-CG2 4.26Å; P96-T101 HydrophobicContact CG-CG2 3.74Å; P96-F104 HydrophobicContact CG-CD1 4.3Å; P96-F104 HydrophobicContact CG-CE1 3.84Å
97K97.2Very high95.6Very high114 Ų11468.7 Ų68.750%0.49636%0.362SS..SBendtrans-62.6-35.9173.1-171-179.9174.6-175.70111.5V22 W61 P99 L155V22-K97 HydrophobicContact CB-CB 4.38Å; V22-K97 HydrophobicContact CG1-CB 4.26Å; V22-K97 HydrophobicContact CG1-CD 4.06Å; V22-K97 WeakPolarHBondContact O-CB 3.48Å; V22-K97 PolarHBondContact O-N 2.9Å; W61-K97 HydrophobicContact CH2-CB 4.45Å; W61-K97 HydrophobicContact CH2-CG 4.19Å; W61-K97 HydrophobicContact CZ3-CB 3.96Å; W61-K97 HydrophobicContact CZ3-CD 4.29Å; W61-K97 HydrophobicContact CZ3-CG 3.98Å; K97-P99 WeakPolarHBondContact O-CD 3.26Å; K97-L155 PolarHBondContact NZ-O 3.26Å
98D95.4Very high96.4Very high74 Ų7466 Ų6640%0.39635%0.352SS..SBendtrans-78.2115.1175.9178.7-1.5000110P96 T100 T101P96-D98 PolarHBondContact O-N 3.38Å; D98-T100 PolarHBondContact O-N 3.47Å; D98-T100 VanDerWaalsContact O-N 3.14Å; D98-T100 WeakPolarHBondContact OD1-CB 3.45Å; D98-T100 WeakPolarHBondContact OD1-CG2 3.47Å; D98-T100 PolarHBondContact OD1-N 3.47Å; D98-T100 PolarHBondContact OD1-OG1 3.24Å; D98-T100 PolarHBondContact OD2-OG1 3.12Å; D98-T101 PolarHBondContact O-N 3.1Å; D98-T101 VanDerWaalsContact O-N 3.15Å
99P94Very high96.6Very high121 Ų12159.7 Ų59.779%0.78633%0.328SS*.THydrogen-bonded Turntrans-66.7-13.2-17829.7-36.9000113.8K97 T101K97-P99 WeakPolarHBondContact O-CD 3.26Å; P99-T101 VanDerWaalsContact C-N 3.27Å
100T97.1Very high96.5Very high114 Ų11457.6 Ų57.670%0.69931%0.314SS*.THydrogen-bonded Turntrans-72.8-22.4175.871.70000112.5D98D98-T100 PolarHBondContact O-N 3.47Å; D98-T100 VanDerWaalsContact O-N 3.14Å; D98-T100 WeakPolarHBondContact OD1-CB 3.45Å; D98-T100 WeakPolarHBondContact OD1-CG2 3.47Å; D98-T100 PolarHBondContact OD1-N 3.47Å; D98-T100 PolarHBondContact OD1-OG1 3.24Å; D98-T100 PolarHBondContact OD2-OG1 3.12Å
101T97.3Very high95.8Very high46 Ų4655.2 Ų55.228%0.28230%0.3SS..SBendtrans-95.5120.4178.6-55.60000110L21 P96 D98 P99 F104L21-T101 HydrophobicContact CD1-CG2 4.02Å; P96-T101 HydrophobicContact CB-CG2 4.26Å; P96-T101 HydrophobicContact CG-CG2 3.74Å; D98-T101 PolarHBondContact O-N 3.1Å; D98-T101 VanDerWaalsContact O-N 3.15Å; P99-T101 VanDerWaalsContact C-N 3.27Å; T101-F104 HydrophobicContact CG2-CE1 4.3Å
102K98Very high94.9Very high179 Ų17952.2 Ų52.278%0.77828%0.282SS*.PPolyproline II helixtrans-65.2148.3178-67.3-176.3179.9-179.70111.3F104K102-F104 WeakPolarHBondContact O-CD1 3.23Å
103P98.4Very high94Very high71 Ų7155.4 Ų55.446%0.46130%0.304SS..PPolyproline II helixtrans-55.9146.5171-25.435.1000112.9I93 F94 Y95I93-P103 HydrophobicContact CG2-CB 3.73Å; F94-P103 WeakPolarHBondContact O-CA 3.42Å; F94-P103 WeakPolarHBondContact O-CB 3.47Å; Y95-P103 HydrophobicContact CD1-CB 3.88Å; Y95-P103 HydrophobicContact CD1-CG 3.55Å; Y95-P103 HydrophobicContact CE1-CB 4.07Å; Y95-P103 HydrophobicContact CE1-CG 3.9Å; Y95-P103 HydrophobicContact CG-CB 4.48Å; Y95-P103 HydrophobicContact CG-CG 4.45Å
104F98.6Very high93.1Very high42 Ų4258 Ų5818%0.18432%0.319CS..EExtended strand (participates in β ladder)trans-150.8165-178.160.7-95.3000112.2W2 L21 A64 F94 P96 T101 K102 V106W2-F104 HydrophobicContact CB-CE2 3.96Å; W2-F104 AromaticContact CD1-CD2 3.98Å; W2-F104 AromaticContact CD1-CE2 3.77Å; W2-F104 HydrophobicContact CD2-CD2 4.39Å; W2-F104 AromaticContact CD2-CE2 3.45Å; W2-F104 HydrophobicContact CD2-CE2 3.45Å; W2-F104 VanDerWaalsContact CD2-CE2 3.45Å; W2-F104 AromaticContact CD2-CZ 3.83Å; W2-F104 HydrophobicContact CD2-CZ 3.83Å; W2-F104 AromaticContact CE2-CE2 3.77Å; W2-F104 AromaticContact CE2-CZ 3.95Å; W2-F104 AromaticContact CE3-CE2 3.87Å; W2-F104 HydrophobicContact CE3-CE2 3.87Å; W2-F104 AromaticContact CE3-CZ 3.88Å; W2-F104 HydrophobicContact CE3-CZ 3.88Å; W2-F104 HydrophobicContact CG-CD2 4.12Å; W2-F104 AromaticContact CG-CE2 3.5Å; W2-F104 HydrophobicContact CG-CE2 3.5Å; W2-F104 HydrophobicContact CG-CZ 4.35Å; W2-F104 HydrophobicContact CH2-CZ 4.23Å; W2-F104 HydrophobicContact CZ2-CE2 4.43Å; W2-F104 HydrophobicContact CZ2-CZ 4.16Å; W2-F104 HydrophobicContact CZ3-CZ 4.08Å; W2-F104 AromaticContact NE1-CE2 3.93Å; L21-F104 HydrophobicContact CD1-CE1 3.83Å; L21-F104 HydrophobicContact CD1-CZ 3.98Å; A64-F104 HydrophobicContact CB-CE2 4.48Å; A64-F104 HydrophobicContact CB-CZ 4.33Å; F94-F104 HydrophobicContact CD1-CD1 4.48Å; F94-F104 AromaticContact CD1-CE1 3.75Å; F94-F104 HydrophobicContact CD1-CE1 3.75Å; F94-F104 HydrophobicContact CD1-CE2 4.03Å; F94-F104 AromaticContact CD1-CZ 3.49Å; F94-F104 HydrophobicContact CD1-CZ 3.49Å; F94-F104 VanDerWaalsContact CD1-CZ 3.49Å; F94-F104 HydrophobicContact CE1-CE1 4.16Å; F94-F104 AromaticContact CE1-CZ 3.89Å; F94-F104 HydrophobicContact CE1-CZ 3.89Å; F94-F104 HydrophobicContact CG-CZ 4.48Å; F94-F104 PolarHBondContact N-O 2.96Å; F94-F104 PolarHBondContact O-N 3.47Å; F94-F104 VanDerWaalsContact O-N 3.11Å; P96-F104 HydrophobicContact CG-CD1 4.3Å; P96-F104 HydrophobicContact CG-CE1 3.84Å; T101-F104 HydrophobicContact CG2-CE1 4.3Å; K102-F104 WeakPolarHBondContact O-CD1 3.23Å; F104-V106 HydrophobicContact CD2-CG1 3.94Å; F104-V106 HydrophobicContact CE2-CG1 3.55Å
105S98.3Very high92.3Very high69 Ų6958.4 Ų58.448%0.48332%0.32SS..EExtended strand (participates in β ladder)trans-77.3135.8-178.5-59.10000113.2V92V92-S105 WeakPolarHBondContact O-CA 3.35Å
106V98.3Very high91.7Very high1 Ų160.5 Ų60.51%0.00634%0.344CS..EExtended strand (participates in β ladder)trans-127.8147176-62.80000111.4W2 F4 I25 A64 T91 V92 F94 F104W2-V106 HydrophobicContact CB-CB 4.37Å; W2-V106 HydrophobicContact CB-CG1 3.79Å; F4-V106 HydrophobicContact CB-CB 4.26Å; F4-V106 HydrophobicContact CB-CG2 3.83Å; I25-V106 HydrophobicContact CG2-CG2 4.36Å; A64-V106 HydrophobicContact CB-CG1 4.03Å; T91-V106 WeakPolarHBondContact CA-O 3.33Å; V92-V106 HydrophobicContact CG2-CG2 3.67Å; V92-V106 PolarHBondContact N-O 2.96Å; V92-V106 VanDerWaalsContact N-O 3.08Å; V92-V106 PolarHBondContact O-N 3.38Å; F94-V106 HydrophobicContact CB-CB 4.28Å; F94-V106 HydrophobicContact CB-CG1 3.45Å; F94-V106 VanDerWaalsContact CB-CG1 3.45Å; F94-V106 HydrophobicContact CB-CG2 3.77Å; F94-V106 HydrophobicContact CG-CG1 4.05Å; F104-V106 HydrophobicContact CD2-CG1 3.94Å; F104-V106 HydrophobicContact CE2-CG1 3.55Å
107L96.8Very high91.4Very high19 Ų1961.9 Ų61.910%0.09935%0.35CS..EExtended strand (participates in β ladder)trans-75.5131.9169.9-173.668.8000109.5M1 W2 V3 F4 K76 T89 Y109M1-L107 HydrophobicContact SD-CD2 4.08Å; W2-L107 WeakPolarHBondContact O-CB 3.4Å; W2-L107 PolarHBondContact O-N 2.89Å; V3-L107 WeakPolarHBondContact CA-O 3.24Å; V3-L107 HydrophobicContact CG2-CB 4.28Å; V3-L107 HydrophobicContact CG2-CD2 4.26Å; F4-L107 PolarHBondContact N-O 3.44Å; K76-L107 HydrophobicContact CD-CD2 4.42Å; K76-L107 HydrophobicContact CG-CD2 4.11Å; T89-L107 HydrophobicContact CG2-CD1 4.25Å; L107-Y109 HydrophobicContact CD2-CE2 3.74Å; L107-Y109 HydrophobicContact CG-CE2 4.15Å
108L95.3Very high91.2Very high0 Ų059.1 Ų59.10%034%0.337CS..EExtended strand (participates in β ladder)trans-124.8130-179.3-175.862000109.9F4 Y6 I25 Y28 L52 T89 T90 V92 I110F4-L108 HydrophobicContact CB-CD1 4.19Å; F4-L108 HydrophobicContact CD1-CD1 3.66Å; F4-L108 HydrophobicContact CG-CD1 4.41Å; Y6-L108 HydrophobicContact CD1-CD1 3.88Å; Y6-L108 HydrophobicContact CE1-CD1 3.97Å; I25-L108 HydrophobicContact CD1-CD1 4.17Å; I25-L108 HydrophobicContact CD1-CD2 3.72Å; Y28-L108 HydrophobicContact CD2-CD2 4.41Å; Y28-L108 HydrophobicContact CE2-CD2 4.25Å; L52-L108 HydrophobicContact CD1-CD1 3.72Å; L52-L108 HydrophobicContact CD1-CD2 3.84Å; L52-L108 HydrophobicContact CD1-CG 4.16Å; T89-L108 CarbonylContact C-O 3.52Å; T89-L108 VanDerWaalsContact CA-O 3.28Å; T89-L108 WeakPolarHBondContact CA-O 3.22Å; T90-L108 HydrophobicContact CG2-CB 4.03Å; T90-L108 HydrophobicContact CG2-CD2 4.14Å; T90-L108 HydrophobicContact CG2-CG 4.42Å; T90-L108 PolarHBondContact N-O 3.34Å; T90-L108 PolarHBondContact O-N 3.34Å; V92-L108 HydrophobicContact CG1-CD2 3.92Å; V92-L108 HydrophobicContact CG2-CB 4.25Å; V92-L108 HydrophobicContact CG2-CD2 3.98Å; L108-I110 HydrophobicContact CD2-CD1 3.64Å; L108-I110 HydrophobicContact CD2-CG1 3.8Å; L108-I110 HydrophobicContact CG-CD1 4.09Å; L108-I110 HydrophobicContact CG-CG1 3.69Å
109Y92.2Very high91.2Very high13 Ų1358.8 Ų58.85%0.05134%0.335CS..EExtended strand (participates in β ladder)trans-95.9126.1170-69.1-97.8000108.2V3 Y6 L79 D80 E83 R88 T89 L107V3-Y109 HydrophobicContact CG1-CD2 4.44Å; V3-Y109 HydrophobicContact CG1-CE2 4.27Å; Y6-Y109 WeakPolarHBondContact CE1-O 3.35Å; Y6-Y109 PolarHBondContact OH-O 3.07Å; L79-Y109 HydrophobicContact CB-CE1 4.24Å; L79-Y109 HydrophobicContact CB-CE2 3.99Å; L79-Y109 VanDerWaalsContact CB-OH 3.24Å; L79-Y109 WeakPolarHBondContact CB-OH 3.46Å; L79-Y109 HydrophobicContact CD1-CE2 4.05Å; D80-Y109 WeakPolarHBondContact OD1-CE1 3.48Å; D80-Y109 PolarHBondContact OD1-OH 2.84Å; E83-Y109 HydrophobicContact CB-CD1 3.9Å; E83-Y109 HydrophobicContact CB-CE1 4.47Å; E83-Y109 HydrophobicContact CG-CD1 3.92Å; E83-Y109 HydrophobicContact CG-CE1 4.49Å; E83-Y109 HydrophobicContact CG-CG 4.22Å; R88-Y109 CarbonylContact O-C 3.59Å; R88-Y109 WeakPolarHBondContact O-CA 3.23Å; T89-Y109 HydrophobicContact CG2-CD1 3.58Å; T89-Y109 HydrophobicContact CG2-CE1 3.35Å; T89-Y109 HydrophobicContact CG2-CE2 4.37Å; T89-Y109 HydrophobicContact CG2-CG 4.17Å; L107-Y109 HydrophobicContact CD2-CE2 3.74Å; L107-Y109 HydrophobicContact CG-CE2 4.15Å
110I87.5Confident91.2Very high22 Ų2253.2 Ų53.211%0.11330%0.3CS..EExtended strand (participates in β ladder)trans-126.7123.7-178.6-54.7-179.2000109.4Y28 L52 Y87 R88 T90 L108 T112Y28-I110 HydrophobicContact CD1-CD1 4.16Å; Y28-I110 HydrophobicContact CE1-CD1 3.4Å; Y28-I110 VanDerWaalsContact CE1-CD1 3.4Å; L52-I110 HydrophobicContact CB-CG2 4.23Å; L52-I110 WeakPolarHBondContact O-CG2 3.4Å; Y87-I110 CarbonylContact C-O 3.53Å; Y87-I110 VanDerWaalsContact CA-O 3.24Å; Y87-I110 WeakPolarHBondContact CA-O 3.08Å; R88-I110 PolarHBondContact N-O 3.22Å; R88-I110 PolarHBondContact O-N 3.33Å; T90-I110 HydrophobicContact CG2-CD1 3.68Å; T90-I110 HydrophobicContact CG2-CG1 4.37Å; L108-I110 HydrophobicContact CD2-CD1 3.64Å; L108-I110 HydrophobicContact CD2-CG1 3.8Å; L108-I110 HydrophobicContact CG-CD1 4.09Å; L108-I110 HydrophobicContact CG-CG1 3.69Å; I110-T112 PolarHBondContact O-N 3.39Å
111G80Confident91.2Very high4 Ų452.1 Ų52.14%0.04129%0.294CS..EExtended strand (participates in β ladder)trans-68.4122.4172.900000109.5T51T51-G111 PolarHBondContact OG1-N 3.34Å; T51-G111 PolarHBondContact OG1-O 2.93Å
112T76.8Confident91.3Very high25 Ų2551.5 Ų51.515%0.15329%0.294CS..  trans-85156.5-176.5580000113G86 R88 I110 D114 N115G86-T112 PolarHBondContact O-N 2.97Å; G86-T112 PolarHBondContact O-OG1 3.45Å; R88-T112 HydrophobicContact CB-CG2 4Å; R88-T112 HydrophobicContact CG-CG2 3.55Å; R88-T112 VanDerWaalsContact NE-CG2 3.29Å; I110-T112 PolarHBondContact O-N 3.39Å; T112-D114 PolarHBondContact O-N 3Å; T112-N115 WeakPolarHBondContact O-CB 3.25Å; T112-N115 PolarHBondContact O-N 3.27Å
113C78.4Confident91.3Very high86 Ų8646.9 Ų46.958%0.58128%0.282SS*.THydrogen-bonded Turntrans-62.7-22.9175.8-57.80000112.8N115 Y118C113-N115 PolarHBondContact O-N 3.46Å; C113-Y118 HydrophobicContact CB-CD1 4.25Å; C113-Y118 HydrophobicContact CB-CE1 4.17Å
114D80Confident91.3Very high128 Ų12845.9 Ų45.968%0.68427%0.273SS*.THydrogen-bonded Turntrans-78.3-2.3176.1-52.9-37.4000112.7R88 T112R88-D114 IonicContact NH2-OD2 3.87Å; R88-D114 PolarHBondContact NH2-OD2 3.17Å; T112-D114 PolarHBondContact O-N 3Å
115N82.4Confident91.2Very high7 Ų749.9 Ų49.94%0.03729%0.292CS..SBendtrans-68.5129.3178.1179.3-8.3000110.1Q34 G85 T112 C113 D117 Y118Q34-N115 PolarHBondContact NE2-ND2 3.24Å; Q34-N115 PolarHBondContact OE1-ND2 2.95Å; G85-N115 PolarHBondContact O-ND2 3.2Å; G85-N115 PolarHBondContact O-OD1 3.01Å; G85-N115 VanDerWaalsContact O-OD1 3.09Å; T112-N115 WeakPolarHBondContact O-CB 3.25Å; T112-N115 PolarHBondContact O-N 3.27Å; C113-N115 PolarHBondContact O-N 3.46Å; N115-D117 PolarHBondContact O-N 3.16Å; N115-D117 VanDerWaalsContact O-N 3.1Å; N115-D117 PolarHBondContact OD1-N 2.94Å; N115-Y118 VanDerWaalsContact O-CB 3.28Å; N115-Y118 WeakPolarHBondContact O-CB 3.34Å; N115-Y118 PolarHBondContact O-N 3.44Å
116P86.3Confident91.2Very high120 Ų12050.9 Ų50.978%0.77929%0.292SS*.THydrogen-bonded Turntrans-56.6-26176.123.6-35.9000114.1
117D91Very high91.2Very high45 Ų4550.9 Ų50.924%0.24129%0.292CS..THydrogen-bonded Turntrans-89.3-2176.9-71.9-44.5000112.9Q34 G35 N115 L119Q34-D117 PolarHBondContact NE2-O 3.38Å; G35-D117 WeakPolarHBondContact CA-O 3.35Å; G35-D117 PolarHBondContact N-O 3.47Å; N115-D117 PolarHBondContact O-N 3.16Å; N115-D117 VanDerWaalsContact O-N 3.1Å; N115-D117 PolarHBondContact OD1-N 2.94Å; D117-L119 PolarHBondContact O-N 2.94Å
118Y93.3Very high91.3Very high55 Ų5550 Ų5022%0.21629%0.287CS..BIsolated β-bridgetrans-69.3116.4176.3-175.6-104.8000110.7W33 T51 C113 N115W33-Y118 HydrophobicContact CB-CE2 4.16Å; T51-Y118 HydrophobicContact CG2-CD2 4.48Å; T51-Y118 HydrophobicContact CG2-CE2 4.18Å; C113-Y118 HydrophobicContact CB-CD1 4.25Å; C113-Y118 HydrophobicContact CB-CE1 4.17Å; N115-Y118 VanDerWaalsContact O-CB 3.28Å; N115-Y118 WeakPolarHBondContact O-CB 3.34Å; N115-Y118 PolarHBondContact O-N 3.44Å
119L95.3Very high91.5Very high67 Ų6754.1 Ų54.135%0.35131%0.306SS..  trans-95.4-19.8-179.9-64179.4000112.8W33 P46 R48 D117W33-L119 PolarHBondContact O-N 2.83Å; P46-L119 HydrophobicContact CG-CD1 4.46Å; R48-L119 HydrophobicContact CG-CD1 4.04Å; D117-L119 PolarHBondContact O-N 2.94Å
120G95Very high91.8Very high5 Ų555.9 Ų55.95%0.05232%0.315CS..  trans72.3-173.1179.400000115.3W33 R48W33-G120 WeakPolarHBondContact CB-O 3.44Å; W33-G120 PolarHBondContact O-N 3.07Å; R48-G120 PolarHBondContact NH1-O 2.88Å; R48-G120 VanDerWaalsContact NH1-O 3.08Å
121P97Very high92.3Very high91 Ų9154.8 Ų54.859%0.59131%0.31SS*.  trans-60.5143.7177.2-16.928.4000112.2W33W33-P121 HydrophobicContact CD2-CB 4.33Å; W33-P121 HydrophobicContact CD2-CG 4.11Å; W33-P121 HydrophobicContact CE3-CG 3.89Å; W33-P121 HydrophobicContact CH2-CB 4.14Å; W33-P121 HydrophobicContact CH2-CG 3.77Å; W33-P121 HydrophobicContact CZ2-CB 3.84Å; W33-P121 HydrophobicContact CZ2-CG 3.97Å; W33-P121 HydrophobicContact CZ3-CB 4.49Å; W33-P121 HydrophobicContact CZ3-CG 3.72Å
122A97.9Very high93.2Very high32 Ų3255.6 Ų55.626%0.26431%0.312SS..  trans-150.9160.4171.500000109L124 I127A122-L124 PolarHBondContact O-N 3.29Å; A122-I127 HydrophobicContact CB-CD1 4.28Å; A122-I127 HydrophobicContact CB-CG1 3.87Å
123P98.2Very high94.2Very high82 Ų8257.9 Ų57.953%0.53232%0.323SS..  trans-50.5139.9170-26.435.4000111.3E125 D126 I127P123-E125 PolarHBondContact O-N 2.85Å; P123-D126 HydrophobicContact CB-CB 4.38Å; P123-D126 WeakPolarHBondContact CD-OD2 3.46Å; P123-D126 WeakPolarHBondContact CG-OD2 3.3Å; P123-D126 WeakPolarHBondContact O-CB 3.4Å; P123-D126 PolarHBondContact O-N 3.12Å; P123-I127 PolarHBondContact O-N 3.09Å
124L97.9Very high95.1Very high51 Ų5153.8 Ų53.827%0.26730%0.296SS..Hα-helixtrans-61.6-32.9-174.9-161.970000112A122 I127 A128 A166 L167 L170A122-L124 PolarHBondContact O-N 3.29Å; L124-I127 PolarHBondContact O-N 3.1Å; L124-A128 VanDerWaalsContact O-CB 3.32Å; L124-A128 WeakPolarHBondContact O-CB 3.15Å; L124-A128 PolarHBondContact O-N 3.02Å; L124-A166 HydrophobicContact CD2-CB 3.59Å; L124-L167 HydrophobicContact CD1-CB 4.11Å; L124-L167 HydrophobicContact CD1-CD1 3.89Å; L124-L167 HydrophobicContact CD1-CG 4.48Å; L124-L167 HydrophobicContact CG-CD1 4.12Å; L124-L170 HydrophobicContact CB-CD1 4.03Å; L124-L170 HydrophobicContact CD2-CD1 3.64Å; L124-L170 HydrophobicContact CG-CD1 3.66Å
125E98Very high96Very high126 Ų12650 Ų5059%0.58928%0.282SS*.Hα-helixtrans-63.6-39.9175.1-65.7-180-175.900112.6P123 A128 E129 L170 R174P123-E125 PolarHBondContact O-N 2.85Å; E125-A128 PolarHBondContact O-N 2.94Å; E125-E129 WeakPolarHBondContact O-CB 3.5Å; E125-E129 PolarHBondContact O-N 3.16Å; E125-L170 HydrophobicContact CG-CD1 4.4Å; E125-R174 PolarHBondContact O-NH2 2.77Å
126D98.3Very high96.7Very high89 Ų8950.5 Ų50.548%0.47629%0.289SS..Hα-helixtrans-69.9-41.8177-64.4-10.7000110.8P123 A128 E129 Q130P123-D126 HydrophobicContact CB-CB 4.38Å; P123-D126 WeakPolarHBondContact CD-OD2 3.46Å; P123-D126 WeakPolarHBondContact CG-OD2 3.3Å; P123-D126 WeakPolarHBondContact O-CB 3.4Å; P123-D126 PolarHBondContact O-N 3.12Å; D126-A128 VanDerWaalsContact C-N 3.33Å; D126-A128 PolarHBondContact O-N 3.42Å; D126-E129 PolarHBondContact O-N 2.6Å; D126-Q130 WeakPolarHBondContact O-CB 3.36Å; D126-Q130 PolarHBondContact O-N 3.01Å
127I98.7Very high97.1Very high1 Ų149.8 Ų49.81%0.00529%0.285CS..Hα-helixtrans-59.7-46.8173.3-64-179.7000109.6F32 A122 P123 L124 E129 Q130 I131 L167F32-I127 HydrophobicContact CB-CG2 3.85Å; A122-I127 HydrophobicContact CB-CD1 4.28Å; A122-I127 HydrophobicContact CB-CG1 3.87Å; P123-I127 PolarHBondContact O-N 3.09Å; L124-I127 PolarHBondContact O-N 3.1Å; I127-E129 VanDerWaalsContact C-N 3.34Å; I127-E129 PolarHBondContact O-N 3.14Å; I127-Q130 PolarHBondContact O-N 3.1Å; I127-I131 HydrophobicContact CG2-CD1 3.9Å; I127-I131 WeakPolarHBondContact O-CG1 3.39Å; I127-I131 PolarHBondContact O-N 3.49Å; I127-L167 HydrophobicContact CB-CD1 4Å; I127-L167 HydrophobicContact CG2-CD1 3.53Å; I127-L167 HydrophobicContact CG2-CD2 3.63Å; I127-L167 HydrophobicContact CG2-CG 4.23Å
128A98.5Very high97.3Very high0 Ų049.6 Ų49.60%029%0.287CS..Hα-helixtrans-61.2-43178.700000111.4L124 E125 D126 I131 F132 L167 L170 V171L124-A128 VanDerWaalsContact O-CB 3.32Å; L124-A128 WeakPolarHBondContact O-CB 3.15Å; L124-A128 PolarHBondContact O-N 3.02Å; E125-A128 PolarHBondContact O-N 2.94Å; D126-A128 VanDerWaalsContact C-N 3.33Å; D126-A128 PolarHBondContact O-N 3.42Å; A128-I131 PolarHBondContact O-N 3.18Å; A128-F132 VanDerWaalsContact O-CB 3.26Å; A128-F132 WeakPolarHBondContact O-CB 3.19Å; A128-F132 PolarHBondContact O-N 3.12Å; A128-L167 HydrophobicContact CB-CD1 3.82Å; A128-L170 HydrophobicContact CB-CB 3.66Å; A128-L170 HydrophobicContact CB-CD1 4.26Å; A128-V171 HydrophobicContact CB-CG2 3.82Å
129E98.1Very high97.5Very high87 Ų8748.3 Ų48.341%0.40729%0.29SS..Hα-helixtrans-62.8-44.7177.1-172.3156.2155.500112.5E125 D126 I127 F132 N133 R174E125-E129 WeakPolarHBondContact O-CB 3.5Å; E125-E129 PolarHBondContact O-N 3.16Å; D126-E129 PolarHBondContact O-N 2.6Å; I127-E129 VanDerWaalsContact C-N 3.34Å; I127-E129 PolarHBondContact O-N 3.14Å; E129-F132 PolarHBondContact O-N 3.04Å; E129-N133 WeakPolarHBondContact CG-ND2 3.42Å; E129-N133 WeakPolarHBondContact O-CB 3.47Å; E129-N133 PolarHBondContact O-N 3.04Å; E129-N133 VanDerWaalsContact O-N 3.09Å; E129-N133 PolarHBondContact O-ND2 3.04Å; E129-R174 IonicContact OE2-CZ 2.73Å; E129-R174 IonicContact OE2-NH1 3.19Å; E129-R174 PolarHBondContact OE2-NH1 3.45Å; E129-R174 IonicContact OE2-NH2 2.81Å; E129-R174 PolarHBondContact OE2-NH2 2.75Å
130Q98.5Very high97.6Very high50 Ų5050.3 Ų50.323%0.23429%0.293CS..Hα-helixtrans-62.6-46.3177.7-170.8175.7-13.700110.9P46 R48 D126 I127 F132 N133 A134P46-Q130 PolarHBondContact O-NE2 3.39Å; R48-Q130 HydrophobicContact CG-CG 4.29Å; D126-Q130 WeakPolarHBondContact O-CB 3.36Å; D126-Q130 PolarHBondContact O-N 3.01Å; I127-Q130 PolarHBondContact O-N 3.1Å; Q130-F132 VanDerWaalsContact C-N 3.32Å; Q130-F132 PolarHBondContact O-N 3.35Å; Q130-N133 PolarHBondContact O-N 2.95Å; Q130-A134 WeakPolarHBondContact O-CB 3.39Å; Q130-A134 PolarHBondContact O-N 2.67Å
131I98.6Very high97.8Very high0 Ų050.1 Ų50.10%029%0.29CS..Hα-helixtrans-61.8-40.8176.4-69.6173.4000111.4F32 R48 I127 A128 N133 N141 T142 L145 L167 V171F32-I131 HydrophobicContact CD1-CD1 3.66Å; F32-I131 HydrophobicContact CE1-CD1 4.09Å; F32-I131 HydrophobicContact CG-CD1 4.26Å; R48-I131 HydrophobicContact CB-CD1 4.24Å; R48-I131 HydrophobicContact CB-CG1 3.89Å; I127-I131 HydrophobicContact CG2-CD1 3.9Å; I127-I131 WeakPolarHBondContact O-CG1 3.39Å; I127-I131 PolarHBondContact O-N 3.49Å; A128-I131 PolarHBondContact O-N 3.18Å; I131-N133 VanDerWaalsContact C-N 3.28Å; I131-N133 PolarHBondContact O-N 3.32Å; I131-N141 HydrophobicContact CG2-CB 4.21Å; I131-N141 WeakPolarHBondContact O-CB 3.26Å; I131-T142 HydrophobicContact CG2-CG2 4.34Å; I131-T142 WeakPolarHBondContact O-CG2 3.35Å; I131-L145 HydrophobicContact CD1-CD2 4.32Å; I131-L145 HydrophobicContact CG2-CB 4.18Å; I131-L145 HydrophobicContact CG2-CD2 4Å; I131-L167 HydrophobicContact CD1-CD1 4.33Å; I131-L167 HydrophobicContact CD1-CD2 3.56Å; I131-L167 HydrophobicContact CD1-CG 4.08Å; I131-V171 HydrophobicContact CB-CG2 4.32Å; I131-V171 HydrophobicContact CG2-CG1 4.47Å; I131-V171 HydrophobicContact CG2-CG2 4.14Å
132F98.3Very high97.8Very high20 Ų2046.2 Ų46.29%0.08827%0.265CS..Hα-helixtrans-61.2-38.4178.9179.1-102.7000112.7A128 E129 Q130 R140 R174 L175 K178A128-F132 VanDerWaalsContact O-CB 3.26Å; A128-F132 WeakPolarHBondContact O-CB 3.19Å; A128-F132 PolarHBondContact O-N 3.12Å; E129-F132 PolarHBondContact O-N 3.04Å; Q130-F132 VanDerWaalsContact C-N 3.32Å; Q130-F132 PolarHBondContact O-N 3.35Å; F132-R140 PolarHBondContact O-NH2 3.38Å; F132-R174 HydrophobicContact CD2-CB 3.84Å; F132-R174 HydrophobicContact CE2-CB 3.91Å; F132-R174 HydrophobicContact CG-CB 4.21Å; F132-R174 HydrophobicContact CZ-CB 4.35Å; F132-L175 HydrophobicContact CD2-CD2 4.16Å; F132-L175 HydrophobicContact CD2-CG 4.15Å; F132-L175 HydrophobicContact CE2-CB 4.44Å; F132-L175 HydrophobicContact CE2-CD2 3.59Å; F132-L175 HydrophobicContact CE2-CG 3.78Å; F132-K178 HydrophobicContact CE1-CD 4.19Å; F132-K178 HydrophobicContact CZ-CB 4.06Å; F132-K178 HydrophobicContact CZ-CD 3.61Å; F132-K178 HydrophobicContact CZ-CG 4.48Å
133N97.9Very high97.9Very high73 Ų7348.8 Ų48.839%0.3927%0.271SS..Hα-helixtrans-94.4-15.2-173.2-71.8-45.4000114.9K45 E129 Q130 I131K45-N133 WeakPolarHBondContact CE-O 3.42Å; K45-N133 PolarHBondContact NZ-O 2.97Å; E129-N133 WeakPolarHBondContact CG-ND2 3.42Å; E129-N133 WeakPolarHBondContact O-CB 3.47Å; E129-N133 PolarHBondContact O-N 3.04Å; E129-N133 VanDerWaalsContact O-N 3.09Å; E129-N133 PolarHBondContact O-ND2 3.04Å; Q130-N133 PolarHBondContact O-N 2.95Å; I131-N133 VanDerWaalsContact C-N 3.28Å; I131-N133 PolarHBondContact O-N 3.32Å
134A98.4Very high97.9Very high1 Ų145.6 Ų45.61%0.00825%0.249CC..  trans-88.3142.6-176.400000113.1Q130 N141Q130-A134 WeakPolarHBondContact O-CB 3.39Å; Q130-A134 PolarHBondContact O-N 2.67Å; A134-N141 HydrophobicContact CB-CB 3.86Å; A134-N141 WeakPolarHBondContact O-CB 3.28Å; A134-N141 PolarHBondContact O-N 2.85Å
135A98.4Very high97.9Very high47 Ų4743.2 Ų43.239%0.38824%0.236SC..EExtended strand (participates in β ladder)trans-150.9145.7170.500000108.7R40 G41 R140R40-A135 CarbonylContact O-C 3.5Å; R40-A135 PolarHBondContact O-N 2.77Å; G41-A135 WeakPolarHBondContact CA-O 3.33Å; A135-R140 HydrophobicContact CB-CG 4.5Å
136G97.2Very high97.9Very high19 Ų1939.1 Ų39.120%0.19622%0.217CC..EExtended strand (participates in β ladder)trans-140.8-170.3179.500000112.1H39 G41 S138 G139H39-G136 CarbonylContact O-C 3.56Å; H39-G136 VanDerWaalsContact O-CA 3.27Å; H39-G136 WeakPolarHBondContact O-CA 3.39Å; G41-G136 VanDerWaalsContact O-CA 3.3Å; G41-G136 WeakPolarHBondContact O-CA 3.26Å; G136-S138 PolarHBondContact O-N 2.96Å; G136-S138 VanDerWaalsContact O-N 3.08Å; G136-G139 PolarHBondContact N-O 2.94Å; G136-G139 PolarHBondContact O-N 3.35Å
137P95.3Very high97.9Very high105 Ų10538.4 Ų38.468%0.68221%0.211SC*.THydrogen-bonded Turntrans-55.5-25.8-178.3-28.336.2000115.2D38D38-P137 VanDerWaalsContact O-CD 3.28Å; D38-P137 WeakPolarHBondContact O-CD 3.49Å; D38-P137 VanDerWaalsContact O-CG 3.23Å; D38-P137 WeakPolarHBondContact O-CG 3.43Å
138S95Very high97.9Very high41 Ų4138.4 Ų38.429%0.28721%0.21SC..THydrogen-bonded Turntrans-95.510.1178.5-59.80000114.1H39 R40 G136H39-S138 PolarHBondContact ND1-OG 2.73Å; H39-S138 WeakPolarHBondContact O-CA 3.36Å; H39-S138 WeakPolarHBondContact O-CB 3.34Å; H39-S138 PolarHBondContact O-N 3.13Å; R40-S138 PolarHBondContact NH1-O 2.86Å; R40-S138 PolarHBondContact NH2-O 2.84Å; G136-S138 PolarHBondContact O-N 2.96Å; G136-S138 VanDerWaalsContact O-N 3.08Å
139G96.6Very high97.8Very high27 Ų2738.4 Ų38.428%0.27821%0.21SC..EExtended strand (participates in β ladder)trans110.4-168.1177.500000113.7G136G136-G139 PolarHBondContact N-O 2.94Å; G136-G139 PolarHBondContact O-N 3.35Å
140R98.1Very high97.8Very high110 Ų11037.5 Ų37.542%0.41521%0.209SC..EExtended strand (participates in β ladder)trans-68148.2179.5-64.8-176.260.878.57.6110.3R40 F132 A135 T142 E143R40-R140 PolarHBondContact NH1-O 3.17Å; F132-R140 PolarHBondContact O-NH2 3.38Å; A135-R140 HydrophobicContact CB-CG 4.5Å; R140-T142 VanDerWaalsContact C-N 3.28Å; R140-T142 WeakPolarHBondContact CB-OG1 3.38Å; R140-T142 PolarHBondContact NE-OG1 2.88Å; R140-T142 PolarHBondContact O-N 3.06Å; R140-E143 HydrophobicContact CB-CB 4.43Å; R140-E143 WeakPolarHBondContact O-CB 3.17Å; R140-E143 PolarHBondContact O-N 3.16Å
141N98.5Very high97.7Very high0 Ų036 Ų360%020%0.203CC..Hα-helixtrans-70.8-29.8173.8-161.8165.3000111.8R40 G47 R48 I131 A134 E143 Y144 L145R40-N141 HydrophobicContact CB-CB 4.11Å; R40-N141 WeakPolarHBondContact O-CB 3.39Å; G47-N141 VanDerWaalsContact C-OD1 3.29Å; G47-N141 WeakPolarHBondContact CA-OD1 3.49Å; R48-N141 PolarHBondContact N-OD1 3.35Å; R48-N141 PolarHBondContact O-ND2 3.4Å; R48-N141 PolarHBondContact O-OD1 2.84Å; I131-N141 HydrophobicContact CG2-CB 4.21Å; I131-N141 WeakPolarHBondContact O-CB 3.26Å; A134-N141 HydrophobicContact CB-CB 3.86Å; A134-N141 WeakPolarHBondContact O-CB 3.28Å; A134-N141 PolarHBondContact O-N 2.85Å; N141-E143 VanDerWaalsContact C-N 3.25Å; N141-E143 PolarHBondContact O-N 3.08Å; N141-Y144 WeakPolarHBondContact O-CB 3.38Å; N141-Y144 PolarHBondContact O-N 2.99Å; N141-Y144 VanDerWaalsContact O-N 3.16Å; N141-L145 PolarHBondContact O-N 3.3Å
142T98.4Very high97.6Very high9 Ų936 Ų366%0.05520%0.203CC..Hα-helixtrans-57.1-38.3171.957.70000112.4I131 R140 L145 F146 V171I131-T142 HydrophobicContact CG2-CG2 4.34Å; I131-T142 WeakPolarHBondContact O-CG2 3.35Å; R140-T142 VanDerWaalsContact C-N 3.28Å; R140-T142 WeakPolarHBondContact CB-OG1 3.38Å; R140-T142 PolarHBondContact NE-OG1 2.88Å; R140-T142 PolarHBondContact O-N 3.06Å; T142-L145 PolarHBondContact O-N 3.36Å; T142-F146 WeakPolarHBondContact O-CB 3.33Å; T142-F146 WeakPolarHBondContact O-CD2 3.21Å; T142-F146 WeakPolarHBondContact O-CG 3.02Å; T142-F146 PolarHBondContact O-N 2.94Å; T142-V171 HydrophobicContact CG2-CG1 3.73Å
143E98.3Very high97.6Very high86 Ų8638.5 Ų38.540%0.40221%0.212SC..Hα-helixtrans-62.1-44.7176.3-179.3-170.4-154.100111R40 R140 N141 L145 F146 E147R40-E143 IonicContact CZ-OE2 2.77Å; R40-E143 IonicContact NH1-OE2 2.65Å; R40-E143 PolarHBondContact NH1-OE2 3.09Å; R40-E143 IonicContact NH2-OE2 2.71Å; R140-E143 HydrophobicContact CB-CB 4.43Å; R140-E143 WeakPolarHBondContact O-CB 3.17Å; R140-E143 PolarHBondContact O-N 3.16Å; N141-E143 VanDerWaalsContact C-N 3.25Å; N141-E143 PolarHBondContact O-N 3.08Å; E143-L145 VanDerWaalsContact C-N 3.35Å; E143-L145 PolarHBondContact O-N 2.81Å; E143-F146 PolarHBondContact O-N 3.02Å; E143-E147 HydrophobicContact CG-CG 4.19Å; E143-E147 WeakPolarHBondContact O-CB 3.49Å; E143-E147 VanDerWaalsContact O-CG 3.25Å; E143-E147 WeakPolarHBondContact O-CG 3.43Å; E143-E147 PolarHBondContact O-N 3.39Å
144Y98.2Very high97.4Very high16 Ų1641.5 Ų41.56%0.06323%0.228CC..Hα-helixtrans-57.8-46.3176.4178-85.1000112.6W11 F32 R40 V49 V50 N141 L148W11-Y144 AromaticContact CH2-CD2 3.62Å; W11-Y144 HydrophobicContact CH2-CD2 3.62Å; W11-Y144 AromaticContact CH2-CE2 3.7Å; W11-Y144 HydrophobicContact CH2-CE2 3.7Å; W11-Y144 HydrophobicContact CH2-CG 4.07Å; W11-Y144 WeakPolarHBondContact CH2-O 3.44Å; W11-Y144 AromaticContact CZ2-CD2 3.76Å; W11-Y144 HydrophobicContact CZ2-CD2 3.76Å; W11-Y144 HydrophobicContact CZ2-CE2 4.17Å; W11-Y144 HydrophobicContact CZ2-CG 4.33Å; F32-Y144 AromaticContact CE1-CD1 3.9Å; F32-Y144 HydrophobicContact CE1-CD1 3.9Å; F32-Y144 AromaticContact CE1-CE1 3.76Å; F32-Y144 HydrophobicContact CE1-CE1 3.76Å; F32-Y144 HydrophobicContact CZ-CE1 4.29Å; R40-Y144 HydrophobicContact CG-CD2 4.13Å; R40-Y144 HydrophobicContact CG-CG 4.21Å; V49-Y144 HydrophobicContact CB-CE1 3.96Å; V49-Y144 HydrophobicContact CB-CE2 4.29Å; V49-Y144 HydrophobicContact CG1-CD1 4.24Å; V49-Y144 HydrophobicContact CG1-CD2 4.26Å; V49-Y144 HydrophobicContact CG1-CE1 4.06Å; V49-Y144 HydrophobicContact CG1-CE2 4.03Å; V49-Y144 HydrophobicContact CG1-CG 4.34Å; V50-Y144 HydrophobicContact CG1-CE1 4.43Å; V50-Y144 WeakPolarHBondContact CG2-OH 3.4Å; V50-Y144 PolarHBondContact N-OH 2.88Å; N141-Y144 WeakPolarHBondContact O-CB 3.38Å; N141-Y144 PolarHBondContact O-N 2.99Å; N141-Y144 VanDerWaalsContact O-N 3.16Å; Y144-L148 HydrophobicContact CE1-CD2 4.48Å; Y144-L148 WeakPolarHBondContact O-CB 3.39Å; Y144-L148 PolarHBondContact O-N 2.65Å; Y144-L148 VanDerWaalsContact O-N 3.09Å
145L98.5Very high97.2Very high0 Ų043.4 Ų43.40%024%0.238CC..Hα-helixtrans-62.2-46.7178.8172.462.2000110.9F32 I131 N141 T142 E143 L148 A149 L164 L167 V171F32-L145 HydrophobicContact CE1-CB 4.42Å; F32-L145 HydrophobicContact CE1-CD1 3.95Å; F32-L145 HydrophobicContact CE2-CD1 3.93Å; F32-L145 HydrophobicContact CZ-CD1 3.38Å; I131-L145 HydrophobicContact CD1-CD2 4.32Å; I131-L145 HydrophobicContact CG2-CB 4.18Å; I131-L145 HydrophobicContact CG2-CD2 4Å; N141-L145 PolarHBondContact O-N 3.3Å; T142-L145 PolarHBondContact O-N 3.36Å; E143-L145 VanDerWaalsContact C-N 3.35Å; E143-L145 PolarHBondContact O-N 2.81Å; L145-L148 PolarHBondContact O-N 3.41Å; L145-A149 WeakPolarHBondContact O-CB 3.19Å; L145-A149 PolarHBondContact O-N 2.98Å; L145-L164 HydrophobicContact CD1-CD1 3.69Å; L145-L167 HydrophobicContact CD1-CB 4.45Å; L145-L167 HydrophobicContact CD1-CD2 4.16Å; L145-L167 HydrophobicContact CD1-CG 4.25Å; L145-L167 HydrophobicContact CD2-CG 4.1Å; L145-V171 HydrophobicContact CD2-CB 3.8Å; L145-V171 HydrophobicContact CD2-CG1 4.22Å; L145-V171 HydrophobicContact CD2-CG2 3.53Å
146F98.2Very high96.9Very high40 Ų4041.6 Ų41.618%0.17522%0.222CC..Hα-helixtrans-71.5-37.8-176.6-62.9-18000112.9T142 E143 L148 A149 N150 E168 V171 K172 L175T142-F146 WeakPolarHBondContact O-CB 3.33Å; T142-F146 WeakPolarHBondContact O-CD2 3.21Å; T142-F146 WeakPolarHBondContact O-CG 3.02Å; T142-F146 PolarHBondContact O-N 2.94Å; E143-F146 PolarHBondContact O-N 3.02Å; F146-L148 VanDerWaalsContact C-N 3.33Å; F146-A149 PolarHBondContact O-N 2.79Å; F146-N150 WeakPolarHBondContact O-CB 3.35Å; F146-N150 PolarHBondContact O-N 2.76Å; F146-N150 PolarHBondContact O-ND2 2.77Å; F146-E168 HydrophobicContact CD1-CG 3.9Å; F146-E168 HydrophobicContact CE1-CG 4Å; F146-V171 HydrophobicContact CE1-CB 4.21Å; F146-V171 HydrophobicContact CE1-CG1 3.96Å; F146-V171 HydrophobicContact CZ-CB 4.36Å; F146-V171 HydrophobicContact CZ-CG1 3.73Å; F146-K172 HydrophobicContact CE1-CG 3.94Å; F146-K172 HydrophobicContact CZ-CG 3.88Å; F146-L175 HydrophobicContact CE2-CD1 3.44Å; F146-L175 VanDerWaalsContact CE2-CD1 3.44Å; F146-L175 HydrophobicContact CZ-CD1 3.49Å; F146-L175 VanDerWaalsContact CZ-CD1 3.49Å
147E98.2Very high96.6Very high75 Ų7545.2 Ų45.235%0.3524%0.242SC..Hα-helixtrans-61.6-43172.5-73.2-66.1169.600111.2W11 E143 S151W11-E147 HydrophobicContact CD2-CB 3.78Å; W11-E147 HydrophobicContact CE3-CB 4.25Å; W11-E147 HydrophobicContact CG-CB 4.11Å; W11-E147 HydrophobicContact CH2-CB 4.25Å; W11-E147 HydrophobicContact CZ2-CB 3.8Å; W11-E147 HydrophobicContact CZ3-CB 4.47Å; E143-E147 HydrophobicContact CG-CG 4.19Å; E143-E147 WeakPolarHBondContact O-CB 3.49Å; E143-E147 VanDerWaalsContact O-CG 3.25Å; E143-E147 WeakPolarHBondContact O-CG 3.43Å; E143-E147 PolarHBondContact O-N 3.39Å; E147-S151 VanDerWaalsContact O-CB 3.24Å; E147-S151 WeakPolarHBondContact O-CB 3.24Å; E147-S151 PolarHBondContact O-N 2.71Å; E147-S151 PolarHBondContact O-OG 3.47Å
148L98Very high96.2Very high0 Ų044.8 Ų44.80%023%0.231CC..Hα-helixtrans-64.3-49.3175.8-177.855.8000111.5I10 W11 F32 V50 Y144 L145 F146 N150 S151 I152 L164I10-L148 HydrophobicContact CD1-CD1 3.82Å; W11-L148 HydrophobicContact CE3-CB 4.46Å; W11-L148 HydrophobicContact CH2-CB 4.02Å; W11-L148 HydrophobicContact CZ3-CB 3.56Å; W11-L148 HydrophobicContact CZ3-CD1 3.96Å; W11-L148 HydrophobicContact CZ3-CG 4.27Å; F32-L148 HydrophobicContact CE2-CD2 4.38Å; F32-L148 HydrophobicContact CZ-CD2 3.95Å; V50-L148 HydrophobicContact CG1-CD2 3.67Å; V50-L148 HydrophobicContact CG2-CD2 4.2Å; Y144-L148 HydrophobicContact CE1-CD2 4.48Å; Y144-L148 WeakPolarHBondContact O-CB 3.39Å; Y144-L148 PolarHBondContact O-N 2.65Å; Y144-L148 VanDerWaalsContact O-N 3.09Å; L145-L148 PolarHBondContact O-N 3.41Å; F146-L148 VanDerWaalsContact C-N 3.33Å; L148-N150 PolarHBondContact O-N 3.06Å; L148-S151 PolarHBondContact O-N 2.91Å; L148-I152 HydrophobicContact CD1-CD1 4.42Å; L148-I152 HydrophobicContact CD1-CG1 3.99Å; L148-I152 WeakPolarHBondContact O-CG1 3.39Å; L148-I152 PolarHBondContact O-N 2.84Å; L148-L164 HydrophobicContact CB-CD1 4.35Å; L148-L164 HydrophobicContact CD2-CD1 3.92Å; L148-L164 HydrophobicContact CG-CD1 3.93Å; L148-L164 HydrophobicContact CG-CD2 4.04Å
149A98Very high95.8Very high0 Ų051 Ų510%026%0.256CS..Hα-helixtrans-61.1-45.2-179.800000112.1L145 F146 S151 I152 R153 L164 F165 E168L145-A149 WeakPolarHBondContact O-CB 3.19Å; L145-A149 PolarHBondContact O-N 2.98Å; F146-A149 PolarHBondContact O-N 2.79Å; A149-S151 VanDerWaalsContact C-N 3.33Å; A149-S151 PolarHBondContact O-N 3.1Å; A149-I152 PolarHBondContact O-N 3.46Å; A149-R153 WeakPolarHBondContact O-CB 3.46Å; A149-R153 PolarHBondContact O-N 2.83Å; A149-L164 HydrophobicContact CB-CD1 4.22Å; A149-L164 HydrophobicContact CB-CG 4.26Å; A149-F165 HydrophobicContact CB-CE1 4.33Å; A149-E168 HydrophobicContact CB-CB 4.19Å; A149-E168 HydrophobicContact CB-CG 3.91Å; A149-E168 WeakPolarHBondContact CB-OE2 3.34Å
150N97.5Very high95.5Very high69 Ų6951 Ų5137%0.36925%0.252SS..Hα-helixtrans-61.9-41.9175.1-72.5-24000111.8F146 L148 R153 N154F146-N150 WeakPolarHBondContact O-CB 3.35Å; F146-N150 PolarHBondContact O-N 2.76Å; F146-N150 PolarHBondContact O-ND2 2.77Å; L148-N150 PolarHBondContact O-N 3.06Å; N150-R153 PolarHBondContact O-N 2.81Å; N150-R153 PolarHBondContact OD1-NH1 3.48Å; N150-R153 VanDerWaalsContact OD1-NH1 3.17Å; N150-N154 WeakPolarHBondContact O-CB 3.38Å; N150-N154 PolarHBondContact O-N 3.14Å; N150-N154 PolarHBondContact O-ND2 3.39Å
151S96.5Very high95.3Very high17 Ų1746.3 Ų46.312%0.11924%0.236CC..Hα-helixtrans-63.4-47.9177.9-62.20000111.8E147 L148 A149 N154 L155E147-S151 VanDerWaalsContact O-CB 3.24Å; E147-S151 WeakPolarHBondContact O-CB 3.24Å; E147-S151 PolarHBondContact O-N 2.71Å; E147-S151 PolarHBondContact O-OG 3.47Å; L148-S151 PolarHBondContact O-N 2.91Å; A149-S151 VanDerWaalsContact C-N 3.33Å; A149-S151 PolarHBondContact O-N 3.1Å; S151-N154 PolarHBondContact O-N 2.96Å; S151-L155 VanDerWaalsContact O-CG 3.23Å; S151-L155 WeakPolarHBondContact O-CG 3.22Å; S151-L155 PolarHBondContact O-N 3.29Å
152I96.7Very high95.2Very high0 Ų053.8 Ų53.80%027%0.271CS..Hα-helixtrans-64.4-44.5178.3-64-59.7000110.9I10 L148 A149 N154 L155 V156 L164 F165I10-I152 HydrophobicContact CD1-CD1 3.62Å; L148-I152 HydrophobicContact CD1-CD1 4.42Å; L148-I152 HydrophobicContact CD1-CG1 3.99Å; L148-I152 WeakPolarHBondContact O-CG1 3.39Å; L148-I152 PolarHBondContact O-N 2.84Å; A149-I152 PolarHBondContact O-N 3.46Å; I152-N154 VanDerWaalsContact C-N 3.27Å; I152-N154 PolarHBondContact O-N 3.07Å; I152-L155 CarbonylContact O-C 3.57Å; I152-L155 WeakPolarHBondContact O-CA 3.39Å; I152-L155 PolarHBondContact O-N 3.4Å; I152-V156 HydrophobicContact CG2-CG2 3.73Å; I152-V156 WeakPolarHBondContact O-CG2 3.47Å; I152-V156 PolarHBondContact O-N 3.38Å; I152-L164 HydrophobicContact CB-CD2 3.92Å; I152-L164 HydrophobicContact CG1-CD2 3.69Å; I152-L164 HydrophobicContact CG2-CD2 4.3Å; I152-F165 HydrophobicContact CB-CZ 4.23Å; I152-F165 HydrophobicContact CG2-CE2 3.96Å; I152-F165 HydrophobicContact CG2-CZ 3.9Å
153R97.1Very high95.2Very high73 Ų7354.8 Ų54.828%0.27528%0.275SS..Hα-helixtrans-57.1-37.8176.9-179.4-178.2-68.4108.13.4113.1A149 N150 L155 E158 F165 E168A149-R153 WeakPolarHBondContact O-CB 3.46Å; A149-R153 PolarHBondContact O-N 2.83Å; N150-R153 PolarHBondContact O-N 2.81Å; N150-R153 PolarHBondContact OD1-NH1 3.48Å; N150-R153 VanDerWaalsContact OD1-NH1 3.17Å; R153-L155 PolarHBondContact O-N 2.82Å; R153-E158 IonicContact CZ-OE1 3.75Å; R153-E158 VanDerWaalsContact CZ-OE1 3.27Å; R153-E158 IonicContact NE-OE1 2.82Å; R153-E158 PolarHBondContact NE-OE1 2.91Å; R153-E158 IonicContact NH2-OE1 2.77Å; R153-E158 PolarHBondContact NH2-OE1 2.82Å; R153-F165 HydrophobicContact CB-CE1 4.1Å; R153-F165 HydrophobicContact CB-CZ 4.16Å; R153-F165 VanDerWaalsContact NH2-CD1 3.32Å; R153-F165 VanDerWaalsContact NH2-CE1 3.3Å; R153-E168 IonicContact CZ-OE1 3.06Å; R153-E168 IonicContact CZ-OE2 3.57Å; R153-E168 IonicContact NH1-OE1 3.27Å; R153-E168 PolarHBondContact NH1-OE1 3.42Å; R153-E168 IonicContact NH1-OE2 3.41Å; R153-E168 IonicContact NH2-OE1 3.68Å; R153-E168 PolarHBondContact NH2-OE1 3.36Å; R153-E168 IonicContact NH2-OE2 3.54Å; R153-E168 PolarHBondContact NH2-OE2 3.36Å
154N95.2Very high95.2Very high137 Ų13750.8 Ų50.873%0.73326%0.256SS*.Hα-helixtrans-71.8-17.4176.5-71.9-23.2000113.1N150 S151 I152N150-N154 WeakPolarHBondContact O-CB 3.38Å; N150-N154 PolarHBondContact O-N 3.14Å; N150-N154 PolarHBondContact O-ND2 3.39Å; S151-N154 PolarHBondContact O-N 2.96Å; I152-N154 VanDerWaalsContact C-N 3.27Å; I152-N154 PolarHBondContact O-N 3.07Å
155L92.6Very high95.2Very high40 Ų4050.8 Ų50.821%0.20926%0.256CS..Hα-helixtrans-101.8-36.6-176.6-65.5-179.2000112.8I10 V22 V63 K97 S151 I152 R153I10-L155 HydrophobicContact CG2-CD1 4.15Å; V22-L155 HydrophobicContact CB-CD2 4.45Å; V22-L155 HydrophobicContact CG1-CB 4Å; V22-L155 HydrophobicContact CG1-CD1 4.15Å; V22-L155 HydrophobicContact CG1-CD2 4.07Å; V22-L155 HydrophobicContact CG1-CG 4.29Å; V22-L155 HydrophobicContact CG2-CD1 4.27Å; V22-L155 HydrophobicContact CG2-CD2 3.51Å; V22-L155 HydrophobicContact CG2-CG 4.41Å; V63-L155 HydrophobicContact CG2-CD1 3.92Å; K97-L155 PolarHBondContact NZ-O 3.26Å; S151-L155 VanDerWaalsContact O-CG 3.23Å; S151-L155 WeakPolarHBondContact O-CG 3.22Å; S151-L155 PolarHBondContact O-N 3.29Å; I152-L155 CarbonylContact O-C 3.57Å; I152-L155 WeakPolarHBondContact O-CA 3.39Å; I152-L155 PolarHBondContact O-N 3.4Å; R153-L155 PolarHBondContact O-N 2.82Å
156V92.4Very high95.2Very high9 Ų952.8 Ų52.86%0.05527%0.273CS..SBendtrans-151.4161-173.7-72.60000112.2W61 I152 A160W61-V156 HydrophobicContact CB-CG2 4.1Å; W61-V156 HydrophobicContact CD2-CB 4.34Å; W61-V156 HydrophobicContact CD2-CG1 3.51Å; W61-V156 HydrophobicContact CD2-CG2 4.22Å; W61-V156 HydrophobicContact CE3-CG1 3.32Å; W61-V156 HydrophobicContact CG-CG1 4.2Å; W61-V156 HydrophobicContact CG-CG2 4.01Å; W61-V156 HydrophobicContact CH2-CG1 3.82Å; W61-V156 HydrophobicContact CZ2-CG1 4.01Å; W61-V156 HydrophobicContact CZ3-CG1 3.48Å; W61-V156 VanDerWaalsContact CZ3-CG1 3.48Å; I152-V156 HydrophobicContact CG2-CG2 3.73Å; I152-V156 WeakPolarHBondContact O-CG2 3.47Å; I152-V156 PolarHBondContact O-N 3.38Å; V156-A160 HydrophobicContact CB-CB 4.04Å; V156-A160 HydrophobicContact CG2-CB 3.54Å
157P90.3Very high95.2Very high95 Ų9550.9 Ų50.962%0.61727%0.265SS*.  trans-57.4156.3172.9-23.234.3000112.9E159 A160P157-E159 PolarHBondContact O-N 3.19Å; P157-A160 WeakPolarHBondContact O-CB 3.48Å; P157-A160 PolarHBondContact O-N 3.1Å; P157-A160 VanDerWaalsContact O-N 3.09Å
158E87.6Confident95.2Very high96 Ų9647.6 Ų47.645%0.44925%0.249SC..G310 helixtrans-64.1-27.9-176.4-62.1-166.9162.900113.7R153 A160 D161 F165R153-E158 IonicContact CZ-OE1 3.75Å; R153-E158 VanDerWaalsContact CZ-OE1 3.27Å; R153-E158 IonicContact NE-OE1 2.82Å; R153-E158 PolarHBondContact NE-OE1 2.91Å; R153-E158 IonicContact NH2-OE1 2.77Å; R153-E158 PolarHBondContact NH2-OE1 2.82Å; E158-A160 PolarHBondContact O-N 2.78Å; E158-D161 PolarHBondContact O-N 2.8Å; E158-D161 VanDerWaalsContact O-N 3.1Å; E158-F165 HydrophobicContact CB-CD1 4.25Å; E158-F165 HydrophobicContact CB-CD2 3.7Å; E158-F165 HydrophobicContact CB-CE1 4.39Å; E158-F165 HydrophobicContact CB-CE2 3.86Å; E158-F165 HydrophobicContact CB-CG 3.91Å; E158-F165 HydrophobicContact CB-CZ 4.2Å; E158-F165 HydrophobicContact CG-CD1 3.94Å; E158-F165 HydrophobicContact CG-CD2 4.21Å; E158-F165 HydrophobicContact CG-CE1 3.84Å; E158-F165 HydrophobicContact CG-CE2 4.12Å; E158-F165 HydrophobicContact CG-CG 4.12Å; E158-F165 HydrophobicContact CG-CZ 3.92Å; E158-F165 WeakPolarHBondContact O-CD2 3.42Å; E158-F165 WeakPolarHBondContact O-CE2 3.21Å
159E87.7Confident95.2Very high173 Ų17353.8 Ų53.881%0.80828%0.276SS*.G310 helixtrans-57.2-16.7174.4-63.7170.8-174.300113.2P157 D161P157-E159 PolarHBondContact O-N 3.19Å; E159-D161 VanDerWaalsContact C-N 3.27Å; E159-D161 PolarHBondContact O-N 2.81Å
160A89.1Confident95.2Very high25 Ų2555.5 Ų55.521%0.20729%0.285CS..G310 helixtrans-69.5-18.217700000114.5W61 V156 P157 E158W61-A160 HydrophobicContact CG-CB 4.24Å; V156-A160 HydrophobicContact CB-CB 4.04Å; V156-A160 HydrophobicContact CG2-CB 3.54Å; P157-A160 WeakPolarHBondContact O-CB 3.48Å; P157-A160 PolarHBondContact O-N 3.1Å; P157-A160 VanDerWaalsContact O-N 3.09Å; E158-A160 PolarHBondContact O-N 2.78Å
161D95Very high95.2Very high12 Ų1252.2 Ų52.26%0.06427%0.268CS..G310 helixtrans-153.770.7-179.6-160.6-27.6000112.2R30 E158 E159 H163 L164 F165R30-D161 IonicContact CZ-OD2 2.67Å; R30-D161 IonicContact NE-OD2 2.86Å; R30-D161 PolarHBondContact NE-OD2 3.02Å; R30-D161 IonicContact NH2-OD2 3.86Å; R30-D161 PolarHBondContact NH2-OD2 3.08Å; E158-D161 PolarHBondContact O-N 2.8Å; E158-D161 VanDerWaalsContact O-N 3.1Å; E159-D161 VanDerWaalsContact C-N 3.27Å; E159-D161 PolarHBondContact O-N 2.81Å; D161-H163 PolarHBondContact O-N 2.7Å; D161-H163 VanDerWaalsContact O-N 3.14Å; D161-L164 HydrophobicContact CB-CB 3.91Å; D161-L164 HydrophobicContact CB-CD2 4.29Å; D161-L164 PolarHBondContact O-N 2.94Å; D161-L164 VanDerWaalsContact O-N 3.1Å; D161-L164 VanDerWaalsContact OD1-CB 3.28Å; D161-L164 WeakPolarHBondContact OD1-CB 3.19Å; D161-L164 PolarHBondContact OD1-N 2.85Å; D161-L164 VanDerWaalsContact OD1-N 3.09Å; D161-F165 HydrophobicContact CB-CD2 4.32Å; D161-F165 HydrophobicContact CB-CE2 4.21Å; D161-F165 WeakPolarHBondContact O-CD2 3.23Å; D161-F165 PolarHBondContact O-N 3.08Å; D161-F165 VanDerWaalsContact O-N 3.14Å
162E96.5Very high95.3Very high157 Ų15755.2 Ų55.273%0.73428%0.279SS*.Hα-helixtrans-51.6-39.3-178-64.4-178.417700113.1A166E162-A166 WeakPolarHBondContact O-CB 3.45Å; E162-A166 PolarHBondContact O-N 3.19Å
163H97.9Very high95.3Very high31 Ų3159.6 Ų59.614%0.14430%0.299CS..Hα-helixtrans-64.3-46.3179.6-17978.5000112F32 D161 L167F32-H163 AromaticContact CD2-CD2 3.98Å; F32-H163 AromaticContact CD2-NE2 3.88Å; F32-H163 PolarHBondContact N-NE2 3.45Å; D161-H163 PolarHBondContact O-N 2.7Å; D161-H163 VanDerWaalsContact O-N 3.14Å; H163-L167 VanDerWaalsContact O-CB 3.26Å; H163-L167 WeakPolarHBondContact O-CB 3.14Å; H163-L167 PolarHBondContact O-N 2.83Å; H163-L167 VanDerWaalsContact O-N 3.1Å
164L98.3Very high95.2Very high1 Ų160 Ų601%0.00530%0.301CS..Hα-helixtrans-61.1-49.1178173.563.4000111.7F32 L145 L148 A149 I152 D161 L167 E168F32-L164 HydrophobicContact CE2-CD1 3.72Å; F32-L164 HydrophobicContact CZ-CD1 3.87Å; L145-L164 HydrophobicContact CD1-CD1 3.69Å; L148-L164 HydrophobicContact CB-CD1 4.35Å; L148-L164 HydrophobicContact CD2-CD1 3.92Å; L148-L164 HydrophobicContact CG-CD1 3.93Å; L148-L164 HydrophobicContact CG-CD2 4.04Å; A149-L164 HydrophobicContact CB-CD1 4.22Å; A149-L164 HydrophobicContact CB-CG 4.26Å; I152-L164 HydrophobicContact CB-CD2 3.92Å; I152-L164 HydrophobicContact CG1-CD2 3.69Å; I152-L164 HydrophobicContact CG2-CD2 4.3Å; D161-L164 HydrophobicContact CB-CB 3.91Å; D161-L164 HydrophobicContact CB-CD2 4.29Å; D161-L164 PolarHBondContact O-N 2.94Å; D161-L164 VanDerWaalsContact O-N 3.1Å; D161-L164 VanDerWaalsContact OD1-CB 3.28Å; D161-L164 WeakPolarHBondContact OD1-CB 3.19Å; D161-L164 PolarHBondContact OD1-N 2.85Å; D161-L164 VanDerWaalsContact OD1-N 3.09Å; L164-L167 PolarHBondContact O-N 3.42Å; L164-E168 WeakPolarHBondContact O-CB 3.44Å; L164-E168 PolarHBondContact O-N 2.87Å
165F98.2Very high95Very high16 Ų1655.8 Ų55.87%0.0728%0.278CS..Hα-helixtrans-74.5-34.3-174.8-68.7-68.1000112.8A149 I152 R153 E158 D161 L167 E168 K169A149-F165 HydrophobicContact CB-CE1 4.33Å; I152-F165 HydrophobicContact CB-CZ 4.23Å; I152-F165 HydrophobicContact CG2-CE2 3.96Å; I152-F165 HydrophobicContact CG2-CZ 3.9Å; R153-F165 HydrophobicContact CB-CE1 4.1Å; R153-F165 HydrophobicContact CB-CZ 4.16Å; R153-F165 VanDerWaalsContact NH2-CD1 3.32Å; R153-F165 VanDerWaalsContact NH2-CE1 3.3Å; E158-F165 HydrophobicContact CB-CD1 4.25Å; E158-F165 HydrophobicContact CB-CD2 3.7Å; E158-F165 HydrophobicContact CB-CE1 4.39Å; E158-F165 HydrophobicContact CB-CE2 3.86Å; E158-F165 HydrophobicContact CB-CG 3.91Å; E158-F165 HydrophobicContact CB-CZ 4.2Å; E158-F165 HydrophobicContact CG-CD1 3.94Å; E158-F165 HydrophobicContact CG-CD2 4.21Å; E158-F165 HydrophobicContact CG-CE1 3.84Å; E158-F165 HydrophobicContact CG-CE2 4.12Å; E158-F165 HydrophobicContact CG-CG 4.12Å; E158-F165 HydrophobicContact CG-CZ 3.92Å; E158-F165 WeakPolarHBondContact O-CD2 3.42Å; E158-F165 WeakPolarHBondContact O-CE2 3.21Å; D161-F165 HydrophobicContact CB-CD2 4.32Å; D161-F165 HydrophobicContact CB-CE2 4.21Å; D161-F165 WeakPolarHBondContact O-CD2 3.23Å; D161-F165 PolarHBondContact O-N 3.08Å; D161-F165 VanDerWaalsContact O-N 3.14Å; F165-L167 VanDerWaalsContact C-N 3.32Å; F165-L167 PolarHBondContact O-N 2.87Å; F165-E168 WeakPolarHBondContact CD1-OE2 3.29Å; F165-E168 PolarHBondContact O-N 3.29Å; F165-K169 WeakPolarHBondContact O-CB 3.45Å; F165-K169 PolarHBondContact O-N 3.22Å
166A98.1Very high94.9Very high42 Ų4259.2 Ų59.235%0.34729%0.293SS..Hα-helixtrans-63.1-40.4170.900000111.5L124 E162 K169 L170L124-A166 HydrophobicContact CD2-CB 3.59Å; E162-A166 WeakPolarHBondContact O-CB 3.45Å; E162-A166 PolarHBondContact O-N 3.19Å; A166-K169 PolarHBondContact O-N 3.48Å; A166-L170 PolarHBondContact O-N 3.17Å; A166-L170 VanDerWaalsContact O-N 3.16Å
167L98.2Very high94.6Very high0 Ų060.3 Ų60.30%031%0.306CS..Hα-helixtrans-68.9-41.7177.3-170.660.4000112.4F32 L124 I127 A128 I131 L145 H163 L164 F165 K169 L170 V171F32-L167 HydrophobicContact CB-CD2 3.85Å; F32-L167 HydrophobicContact CD1-CD2 3.98Å; F32-L167 HydrophobicContact CD2-CD2 3.38Å; F32-L167 HydrophobicContact CE1-CD2 4.36Å; F32-L167 HydrophobicContact CE2-CD2 3.83Å; F32-L167 HydrophobicContact CG-CD2 3.46Å; F32-L167 VanDerWaalsContact CG-CD2 3.46Å; F32-L167 HydrophobicContact CZ-CD2 4.3Å; L124-L167 HydrophobicContact CD1-CB 4.11Å; L124-L167 HydrophobicContact CD1-CD1 3.89Å; L124-L167 HydrophobicContact CD1-CG 4.48Å; L124-L167 HydrophobicContact CG-CD1 4.12Å; I127-L167 HydrophobicContact CB-CD1 4Å; I127-L167 HydrophobicContact CG2-CD1 3.53Å; I127-L167 HydrophobicContact CG2-CD2 3.63Å; I127-L167 HydrophobicContact CG2-CG 4.23Å; A128-L167 HydrophobicContact CB-CD1 3.82Å; I131-L167 HydrophobicContact CD1-CD1 4.33Å; I131-L167 HydrophobicContact CD1-CD2 3.56Å; I131-L167 HydrophobicContact CD1-CG 4.08Å; L145-L167 HydrophobicContact CD1-CB 4.45Å; L145-L167 HydrophobicContact CD1-CD2 4.16Å; L145-L167 HydrophobicContact CD1-CG 4.25Å; L145-L167 HydrophobicContact CD2-CG 4.1Å; H163-L167 VanDerWaalsContact O-CB 3.26Å; H163-L167 WeakPolarHBondContact O-CB 3.14Å; H163-L167 PolarHBondContact O-N 2.83Å; H163-L167 VanDerWaalsContact O-N 3.1Å; L164-L167 PolarHBondContact O-N 3.42Å; F165-L167 VanDerWaalsContact C-N 3.32Å; F165-L167 PolarHBondContact O-N 2.87Å; L167-K169 VanDerWaalsContact C-N 3.31Å; L167-K169 PolarHBondContact O-N 3.16Å; L167-L170 PolarHBondContact O-N 2.91Å; L167-V171 WeakPolarHBondContact O-CG2 3.25Å; L167-V171 PolarHBondContact O-N 3.5Å
168E98.4Very high94Very high6 Ų661 Ų613%0.02830%0.299CS..Hα-helixtrans-56.6-46173.5-173.6-165.3-169.400111.3F146 A149 R153 L164 F165 V171 K172F146-E168 HydrophobicContact CD1-CG 3.9Å; F146-E168 HydrophobicContact CE1-CG 4Å; A149-E168 HydrophobicContact CB-CB 4.19Å; A149-E168 HydrophobicContact CB-CG 3.91Å; A149-E168 WeakPolarHBondContact CB-OE2 3.34Å; R153-E168 IonicContact CZ-OE1 3.06Å; R153-E168 IonicContact CZ-OE2 3.57Å; R153-E168 IonicContact NH1-OE1 3.27Å; R153-E168 PolarHBondContact NH1-OE1 3.42Å; R153-E168 IonicContact NH1-OE2 3.41Å; R153-E168 IonicContact NH2-OE1 3.68Å; R153-E168 PolarHBondContact NH2-OE1 3.36Å; R153-E168 IonicContact NH2-OE2 3.54Å; R153-E168 PolarHBondContact NH2-OE2 3.36Å; L164-E168 WeakPolarHBondContact O-CB 3.44Å; L164-E168 PolarHBondContact O-N 2.87Å; F165-E168 WeakPolarHBondContact CD1-OE2 3.29Å; F165-E168 PolarHBondContact O-N 3.29Å; E168-V171 PolarHBondContact O-N 2.89Å; E168-K172 HydrophobicContact CG-CD 4.12Å; E168-K172 WeakPolarHBondContact O-CB 3.37Å; E168-K172 WeakPolarHBondContact O-CG 3.2Å; E168-K172 PolarHBondContact O-N 2.9Å; E168-K172 WeakPolarHBondContact OE1-CE 3.22Å; E168-K172 IonicContact OE1-NZ 2.84Å; E168-K172 PolarHBondContact OE1-NZ 2.84Å
169K97.9Very high93.2Very high130 Ų13062.3 Ų62.357%0.56531%0.305SS*.Hα-helixtrans-58.3-51.2177.8-179176.6175.2177.30111.9F165 A166 L167 V171 K172 E173F165-K169 WeakPolarHBondContact O-CB 3.45Å; F165-K169 PolarHBondContact O-N 3.22Å; A166-K169 PolarHBondContact O-N 3.48Å; L167-K169 VanDerWaalsContact C-N 3.31Å; L167-K169 PolarHBondContact O-N 3.16Å; K169-V171 VanDerWaalsContact C-N 3.31Å; K169-V171 PolarHBondContact O-N 3.46Å; K169-K172 WeakPolarHBondContact O-CB 3.44Å; K169-K172 PolarHBondContact O-N 3.2Å; K169-K172 VanDerWaalsContact O-N 3.16Å; K169-E173 WeakPolarHBondContact CE-OE1 3.41Å; K169-E173 WeakPolarHBondContact O-CG 3.38Å; K169-E173 PolarHBondContact O-N 2.96Å
170L98.3Very high92.4Very high37 Ų3759.2 Ų59.219%0.19429%0.294CS..Hα-helixtrans-60.5-38.6179.2-71.5174.3000112.8L124 E125 A128 A166 L167 R174L124-L170 HydrophobicContact CB-CD1 4.03Å; L124-L170 HydrophobicContact CD2-CD1 3.64Å; L124-L170 HydrophobicContact CG-CD1 3.66Å; E125-L170 HydrophobicContact CG-CD1 4.4Å; A128-L170 HydrophobicContact CB-CB 3.66Å; A128-L170 HydrophobicContact CB-CD1 4.26Å; A166-L170 PolarHBondContact O-N 3.17Å; A166-L170 VanDerWaalsContact O-N 3.16Å; L167-L170 PolarHBondContact O-N 2.91Å; L170-R174 WeakPolarHBondContact O-CG 3.38Å; L170-R174 PolarHBondContact O-N 3.09Å
171V98.1Very high91.5Very high0 Ų064.3 Ų64.30%032%0.317CS..Hα-helixtrans-71.6-35.4177.8176.90000111.5A128 I131 T142 L145 F146 L167 E168 K169 R174 L175A128-V171 HydrophobicContact CB-CG2 3.82Å; I131-V171 HydrophobicContact CB-CG2 4.32Å; I131-V171 HydrophobicContact CG2-CG1 4.47Å; I131-V171 HydrophobicContact CG2-CG2 4.14Å; T142-V171 HydrophobicContact CG2-CG1 3.73Å; L145-V171 HydrophobicContact CD2-CB 3.8Å; L145-V171 HydrophobicContact CD2-CG1 4.22Å; L145-V171 HydrophobicContact CD2-CG2 3.53Å; F146-V171 HydrophobicContact CE1-CB 4.21Å; F146-V171 HydrophobicContact CE1-CG1 3.96Å; F146-V171 HydrophobicContact CZ-CB 4.36Å; F146-V171 HydrophobicContact CZ-CG1 3.73Å; L167-V171 WeakPolarHBondContact O-CG2 3.25Å; L167-V171 PolarHBondContact O-N 3.5Å; E168-V171 PolarHBondContact O-N 2.89Å; K169-V171 VanDerWaalsContact C-N 3.31Å; K169-V171 PolarHBondContact O-N 3.46Å; V171-R174 PolarHBondContact O-N 3.25Å; V171-L175 PolarHBondContact O-N 2.99Å; V171-L175 VanDerWaalsContact O-N 3.17Å
172K97.5Very high90.2Very high80 Ų8069.5 Ų69.535%0.34835%0.345SS..Hα-helixtrans-63.7-47173.3-78.9174.7168.4170.10111.9F146 E168 K169 R174 L175 E176F146-K172 HydrophobicContact CE1-CG 3.94Å; F146-K172 HydrophobicContact CZ-CG 3.88Å; E168-K172 HydrophobicContact CG-CD 4.12Å; E168-K172 WeakPolarHBondContact O-CB 3.37Å; E168-K172 WeakPolarHBondContact O-CG 3.2Å; E168-K172 PolarHBondContact O-N 2.9Å; E168-K172 WeakPolarHBondContact OE1-CE 3.22Å; E168-K172 IonicContact OE1-NZ 2.84Å; E168-K172 PolarHBondContact OE1-NZ 2.84Å; K169-K172 WeakPolarHBondContact O-CB 3.44Å; K169-K172 PolarHBondContact O-N 3.2Å; K169-K172 VanDerWaalsContact O-N 3.16Å; K172-R174 VanDerWaalsContact C-N 3.25Å; K172-R174 PolarHBondContact O-N 2.82Å; K172-L175 WeakPolarHBondContact O-CB 3.19Å; K172-L175 PolarHBondContact O-N 3.3Å; K172-E176 PolarHBondContact O-N 3.02Å
173E96.5Very high88.4Confident91 Ų9167.5 Ų67.543%0.42535%0.347SS..Hα-helixtrans-56.9-39176.8-72.3171.1-178.900111.9K169 E176 G177K169-E173 WeakPolarHBondContact CE-OE1 3.41Å; K169-E173 WeakPolarHBondContact O-CG 3.38Å; K169-E173 PolarHBondContact O-N 2.96Å; E173-E176 PolarHBondContact O-N 3.49Å; E173-G177 PolarHBondContact O-N 2.8Å
174R94.7Very high86.1Confident83 Ų8375.6 Ų75.631%0.31339%0.389SS..Hα-helixtrans-68.3-33.2175.2-71.3178.8179.5-102.612.4113.5E125 E129 F132 L170 V171 K172 K178E125-R174 PolarHBondContact O-NH2 2.77Å; E129-R174 IonicContact OE2-CZ 2.73Å; E129-R174 IonicContact OE2-NH1 3.19Å; E129-R174 PolarHBondContact OE2-NH1 3.45Å; E129-R174 IonicContact OE2-NH2 2.81Å; E129-R174 PolarHBondContact OE2-NH2 2.75Å; F132-R174 HydrophobicContact CD2-CB 3.84Å; F132-R174 HydrophobicContact CE2-CB 3.91Å; F132-R174 HydrophobicContact CG-CB 4.21Å; F132-R174 HydrophobicContact CZ-CB 4.35Å; L170-R174 WeakPolarHBondContact O-CG 3.38Å; L170-R174 PolarHBondContact O-N 3.09Å; V171-R174 PolarHBondContact O-N 3.25Å; K172-R174 VanDerWaalsContact C-N 3.25Å; K172-R174 PolarHBondContact O-N 2.82Å; R174-K178 WeakPolarHBondContact O-CB 3.33Å; R174-K178 PolarHBondContact O-N 2.82Å; R174-K178 VanDerWaalsContact O-N 3.1Å
175L92.2Very high85.5Confident47 Ų4779.4 Ų79.425%0.24641%0.409CS..Hα-helixtrans-68.7-44174.7-74.5165.5000111.4F132 F146 V171 K172 K178 Q179F132-L175 HydrophobicContact CD2-CD2 4.16Å; F132-L175 HydrophobicContact CD2-CG 4.15Å; F132-L175 HydrophobicContact CE2-CB 4.44Å; F132-L175 HydrophobicContact CE2-CD2 3.59Å; F132-L175 HydrophobicContact CE2-CG 3.78Å; F146-L175 HydrophobicContact CE2-CD1 3.44Å; F146-L175 VanDerWaalsContact CE2-CD1 3.44Å; F146-L175 HydrophobicContact CZ-CD1 3.49Å; F146-L175 VanDerWaalsContact CZ-CD1 3.49Å; V171-L175 PolarHBondContact O-N 2.99Å; V171-L175 VanDerWaalsContact O-N 3.17Å; K172-L175 WeakPolarHBondContact O-CB 3.19Å; K172-L175 PolarHBondContact O-N 3.3Å; L175-K178 PolarHBondContact O-N 2.88Å; L175-Q179 WeakPolarHBondContact O-CG 3.33Å; L175-Q179 PolarHBondContact O-N 3.11Å
176E90.1Very high84.8Confident113 Ų11382.7 Ų82.753%0.52843%0.426SS..Hα-helixtrans-63.3-44.6176.6-68.4173.4-176.200111K172 E173 K178 Q179 N180K172-E176 PolarHBondContact O-N 3.02Å; E173-E176 PolarHBondContact O-N 3.49Å; E176-K178 VanDerWaalsContact C-N 3.33Å; E176-K178 PolarHBondContact O-N 2.87Å; E176-Q179 PolarHBondContact O-N 2.8Å; E176-N180 PolarHBondContact O-N 3.44Å; E176-N180 PolarHBondContact O-ND2 2.89Å
177G85.8Confident84.1Confident32 Ų3284.9 Ų84.933%0.3343%0.431SS..Hα-helixtrans-58.8-40.8174.800000113.3E173 N180 L181E173-G177 PolarHBondContact O-N 2.8Å; G177-N180 PolarHBondContact O-N 2.7Å; G177-L181 WeakPolarHBondContact O-CD1 3.4Å; G177-L181 PolarHBondContact O-N 3.42Å; G177-L181 VanDerWaalsContact O-N 3.1Å
178K77.6Confident83.3Confident110 Ų11089.9 Ų89.948%0.47846%0.456SS..Hα-helixtrans-70.9-35.3176.7-175.1170.8-179.9174.20112.9F132 R174 L175 E176 L181 N182F132-K178 HydrophobicContact CE1-CD 4.19Å; F132-K178 HydrophobicContact CZ-CB 4.06Å; F132-K178 HydrophobicContact CZ-CD 3.61Å; F132-K178 HydrophobicContact CZ-CG 4.48Å; R174-K178 WeakPolarHBondContact O-CB 3.33Å; R174-K178 PolarHBondContact O-N 2.82Å; R174-K178 VanDerWaalsContact O-N 3.1Å; L175-K178 PolarHBondContact O-N 2.88Å; E176-K178 VanDerWaalsContact C-N 3.33Å; E176-K178 PolarHBondContact O-N 2.87Å; K178-L181 PolarHBondContact O-N 3.15Å; K178-N182 WeakPolarHBondContact O-CB 3.44Å; K178-N182 VanDerWaalsContact O-CG 3.31Å; K178-N182 PolarHBondContact O-N 3.14Å; K178-N182 VanDerWaalsContact O-N 3.12Å
179Q71.4Confident82.3Confident122 Ų12295.2 Ų95.257%0.5748%0.483SS*.Hα-helixtrans-65.5-41.7174.2-75.2177.8-4.700111.1L175 E176 L181 N182 C183L175-Q179 WeakPolarHBondContact O-CG 3.33Å; L175-Q179 PolarHBondContact O-N 3.11Å; E176-Q179 PolarHBondContact O-N 2.8Å; Q179-L181 PolarHBondContact O-N 2.9Å; Q179-N182 PolarHBondContact O-N 2.84Å; Q179-C183 PolarHBondContact O-N 2.88Å; Q179-C183 PolarHBondContact O-SG 3.39Å; Q179-C183 VanDerWaalsContact O-SG 3.38Å
180N69.9Low81.3Confident109 Ų10992.9 Ų92.958%0.58348%0.477SS*.Hα-helixtrans-64.7-37.3176.5-69-22.7000112.5E176 G177E176-N180 PolarHBondContact O-N 3.44Å; E176-N180 PolarHBondContact O-ND2 2.89Å; G177-N180 PolarHBondContact O-N 2.7Å
181L70.4Confident80.1Confident132 Ų13296.9 Ų96.969%0.69150%0.498SS*.Hα-helixtrans-69-30.9174.4-101.580.1000113.8G177 K178 Q179 C183G177-L181 WeakPolarHBondContact O-CD1 3.4Å; G177-L181 PolarHBondContact O-N 3.42Å; G177-L181 VanDerWaalsContact O-N 3.1Å; K178-L181 PolarHBondContact O-N 3.15Å; Q179-L181 PolarHBondContact O-N 2.9Å; L181-C183 VanDerWaalsContact C-N 3.33Å
182N67.9Low78.7Confident121 Ų121104.3 Ų104.365%0.64754%0.536SS*.Hα-helixtrans-83.3-8.2-179.4-74-14000113.6K178 Q179K178-N182 WeakPolarHBondContact O-CB 3.44Å; K178-N182 VanDerWaalsContact O-CG 3.31Å; K178-N182 PolarHBondContact O-N 3.14Å; K178-N182 VanDerWaalsContact O-N 3.12Å; Q179-N182 PolarHBondContact O-N 2.84Å
183C59.1Low77.1Confident115 Ų115106.3 Ų106.378%0.77755%0.552SS**THydrogen-bonded Turntrans-100.44.3178.1-72.10000113.3Q179 L181Q179-C183 PolarHBondContact O-N 2.88Å; Q179-C183 PolarHBondContact O-SG 3.39Å; Q179-C183 VanDerWaalsContact O-SG 3.38Å; L181-C183 VanDerWaalsContact C-N 3.33Å
184I49.8Very low75.3Confident201 Ų201107.7 Ų107.7100%1.03156%0.563SS**  trans-110.10173.8-58171.3000108.1

Retrieved 184 of 184 residues in 37.3 ms (Link to these results)

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