A0A060YXK3_ONCMY Loading...

Fatty acid binding protein 4b

AlphaFold DB , UniProt , Accession A0A060YXK3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene fabp4b, Length 133 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
1M87.4Confident96Very high165 Ų16551.2 Ų51.281%0.81328%0.283SS*.  0161.40-50.5-178.8-69.900108E3 A4M1-E3 WeakPolarHBondContact CB-OE2 3.14Å; M1-E3 PolarHBondContact O-N 3.11Å; M1-A4 WeakPolarHBondContact O-CB 2.84Å; M1-A4 PolarHBondContact O-N 3.44Å
2V93.6Very high96Very high12 Ų1252.4 Ų52.47%0.07329%0.293CS..G310 helixtrans-65.3-22.3-17368.90000112.9A4 F5 I45 I50 L67 F87 L92V2-A4 PolarHBondContact O-N 2.8Å; V2-A4 VanDerWaalsContact O-N 3.12Å; V2-F5 WeakPolarHBondContact O-CB 3.48Å; V2-F5 WeakPolarHBondContact O-CD2 3.31Å; V2-F5 PolarHBondContact O-N 3.22Å; V2-I45 HydrophobicContact CG1-CD1 3.98Å; V2-I50 HydrophobicContact CG1-CD1 4.06Å; V2-I50 HydrophobicContact CG2-CD1 3.95Å; V2-L67 HydrophobicContact CB-CD1 4.33Å; V2-L67 HydrophobicContact CG1-CD1 4.11Å; V2-F87 HydrophobicContact CB-CD2 4.14Å; V2-F87 HydrophobicContact CB-CG 4.41Å; V2-F87 HydrophobicContact CG2-CD2 4.45Å; V2-L92 HydrophobicContact CG2-CD1 4.26Å
3E95.6Very high96.1Very high104 Ų10451.5 Ų51.549%0.48629%0.292SS..G310 helixtrans-56.1-27.3174.8-6477.9-18000112.4M1 F5 V6 I45M1-E3 WeakPolarHBondContact CB-OE2 3.14Å; M1-E3 PolarHBondContact O-N 3.11Å; E3-F5 PolarHBondContact O-N 2.89Å; E3-V6 VanDerWaalsContact O-CB 3.31Å; E3-V6 WeakPolarHBondContact O-CB 3.44Å; E3-V6 WeakPolarHBondContact O-CG2 3.3Å; E3-V6 PolarHBondContact O-N 3.35Å; E3-I45 HydrophobicContact CB-CD1 4.5Å; E3-I45 HydrophobicContact CG-CD1 4.01Å
4A95.8Very high96.1Very high50 Ų5051.2 Ų51.241%0.41330%0.295SS..G310 helixtrans-61.9-24.217700000112.8M1 V2 V6 L109M1-A4 WeakPolarHBondContact O-CB 2.84Å; M1-A4 PolarHBondContact O-N 3.44Å; V2-A4 PolarHBondContact O-N 2.8Å; V2-A4 VanDerWaalsContact O-N 3.12Å; A4-V6 VanDerWaalsContact C-N 3.35Å; A4-L109 HydrophobicContact CB-CD1 3.64Å; A4-L109 WeakPolarHBondContact O-CD1 3.34Å
5F97.1Very high96.3Very high4 Ų455.4 Ų55.42%0.01831%0.311CS..G310 helixtrans-79.7-16.1177.3-67.6-99.8000112.8V2 E3 G7 W9 F43 F87 L92 R107 L109 L114V2-F5 WeakPolarHBondContact O-CB 3.48Å; V2-F5 WeakPolarHBondContact O-CD2 3.31Å; V2-F5 PolarHBondContact O-N 3.22Å; E3-F5 PolarHBondContact O-N 2.89Å; F5-G7 PolarHBondContact O-N 3.12Å; F5-W9 PolarHBondContact O-NE1 2.92Å; F5-F43 HydrophobicContact CB-CD1 4.37Å; F5-F43 HydrophobicContact CB-CD2 4.38Å; F5-F43 HydrophobicContact CB-CG 4.2Å; F5-F43 WeakPolarHBondContact O-CB 3.43Å; F5-F43 WeakPolarHBondContact O-CD2 3.49Å; F5-F87 AromaticContact CE2-CE2 3.82Å; F5-F87 HydrophobicContact CE2-CE2 3.82Å; F5-L92 HydrophobicContact CZ-CB 4.34Å; F5-R107 HydrophobicContact CE1-CB 3.86Å; F5-R107 VanDerWaalsContact CZ-O 3.3Å; F5-R107 WeakPolarHBondContact CZ-O 3.26Å; F5-L109 HydrophobicContact CD1-CD2 4.1Å; F5-L109 HydrophobicContact CD1-CG 4.37Å; F5-L109 HydrophobicContact CD2-CD1 4.49Å; F5-L109 HydrophobicContact CE1-CD2 3.95Å; F5-L109 HydrophobicContact CE1-CG 4Å; F5-L109 HydrophobicContact CE2-CD1 4.44Å; F5-L109 HydrophobicContact CE2-CG 4.23Å; F5-L109 HydrophobicContact CZ-CD2 4.4Å; F5-L109 HydrophobicContact CZ-CG 3.94Å; F5-L114 HydrophobicContact CD1-CD1 3.79Å; F5-L114 HydrophobicContact CD1-CG 4.36Å; F5-L114 HydrophobicContact CE1-CD1 4.23Å; F5-L114 HydrophobicContact CE1-CG 4.3Å
6V97.8Very high96.4Very high56 Ų5657.4 Ų57.434%0.33932%0.32SS..  trans-58.5133-177.7174.40000111.1E3 A4 I45 K131E3-V6 VanDerWaalsContact O-CB 3.31Å; E3-V6 WeakPolarHBondContact O-CB 3.44Å; E3-V6 WeakPolarHBondContact O-CG2 3.3Å; E3-V6 PolarHBondContact O-N 3.35Å; A4-V6 VanDerWaalsContact C-N 3.35Å; V6-I45 HydrophobicContact CG2-CD1 3.75Å; V6-I45 HydrophobicContact CG2-CG1 3.81Å; V6-K131 WeakPolarHBondContact O-CE 3.47Å; V6-K131 PolarHBondContact O-NZ 3.11Å
7G97.4Very high96.5Very high25 Ų2556 Ų5626%0.25831%0.31SS..EExtended strand (participates in β ladder)trans126.9-173.6-176.200000112.9F5 F43F5-G7 PolarHBondContact O-N 3.12Å; G7-F43 PolarHBondContact N-O 2.86Å; G7-F43 PolarHBondContact O-N 3.38Å
8T98.3Very high96.5Very high36 Ų3654.9 Ų54.922%0.22130%0.304CS..EExtended strand (participates in β ladder)trans-101.7135177.3-55.60000110.2N40 L41 L42 E132T8-N40 HydrophobicContact CG2-CB 4.34Å; T8-L41 CarbonylContact C-O 3.5Å; T8-L41 WeakPolarHBondContact CA-O 3.49Å; T8-L42 HydrophobicContact CG2-CD1 4.14Å; T8-L42 HydrophobicContact CG2-CG 3.98Å; T8-E132 WeakPolarHBondContact CB-OE2 3.32Å; T8-E132 HydrophobicContact CG2-CB 4.2Å; T8-E132 WeakPolarHBondContact CG2-OE2 3.43Å; T8-E132 PolarHBondContact O-N 3.33Å
9W98.4Very high96.6Very high7 Ų755.9 Ų55.93%0.02731%0.306CS..EExtended strand (participates in β ladder)trans-123.9118.5-179.5-61.287000109.6F5 N40 L41 F43 L109 L114 Y129 E130 K131F5-W9 PolarHBondContact O-NE1 2.92Å; W9-N40 CarbonylContact O-C 3.58Å; W9-N40 VanDerWaalsContact O-CA 3.22Å; W9-N40 WeakPolarHBondContact O-CA 3.42Å; W9-L41 HydrophobicContact CB-CB 4.31Å; W9-L41 PolarHBondContact N-O 2.77Å; W9-L41 PolarHBondContact O-N 2.86Å; W9-F43 AromaticContact CD1-CD2 3.76Å; W9-L109 HydrophobicContact CH2-CD2 3.49Å; W9-L109 VanDerWaalsContact CH2-CD2 3.49Å; W9-L109 HydrophobicContact CZ2-CD2 3.68Å; W9-L109 HydrophobicContact CZ3-CD2 4.18Å; W9-L114 HydrophobicContact CB-CD1 4.47Å; W9-L114 HydrophobicContact CD2-CB 3.79Å; W9-L114 HydrophobicContact CD2-CD1 3.87Å; W9-L114 HydrophobicContact CE3-CB 3.51Å; W9-L114 HydrophobicContact CE3-CD1 4.47Å; W9-L114 HydrophobicContact CG-CB 4.37Å; W9-L114 HydrophobicContact CG-CD1 3.85Å; W9-L114 HydrophobicContact CH2-CB 4.34Å; W9-L114 HydrophobicContact CZ3-CB 3.82Å; W9-Y129 HydrophobicContact CB-CD1 4.37Å; W9-Y129 HydrophobicContact CB-CG 4.4Å; W9-E130 CarbonylContact C-O 3.59Å; W9-E130 WeakPolarHBondContact CA-O 3.44Å; W9-K131 HydrophobicContact CD2-CB 4.35Å; W9-K131 HydrophobicContact CD2-CG 4.4Å; W9-K131 HydrophobicContact CE3-CB 3.85Å; W9-K131 HydrophobicContact CE3-CG 4.37Å; W9-K131 HydrophobicContact CH2-CB 3.99Å; W9-K131 HydrophobicContact CH2-CD 3.97Å; W9-K131 HydrophobicContact CH2-CG 4.21Å; W9-K131 HydrophobicContact CZ2-CB 4.48Å; W9-K131 HydrophobicContact CZ2-CD 3.95Å; W9-K131 HydrophobicContact CZ2-CG 4.24Å; W9-K131 HydrophobicContact CZ3-CB 3.65Å; W9-K131 HydrophobicContact CZ3-CG 4.28Å
10K97.6Very high96.7Very high87 Ų8753.5 Ų53.538%0.37829%0.292SS..EExtended strand (participates in β ladder)trans-91.3129.5178.9-69.3-176.4175.5165.90110.3T12 N40 Y129 E130 E132K10-T12 PolarHBondContact O-N 3.23Å; K10-N40 WeakPolarHBondContact CA-OD1 3.31Å; K10-Y129 CarbonylContact O-C 3.53Å; K10-Y129 WeakPolarHBondContact O-CA 3.37Å; K10-Y129 WeakPolarHBondContact O-CB 3.2Å; K10-E130 PolarHBondContact N-O 3.44Å; K10-E130 PolarHBondContact O-N 3.46Å; K10-E132 WeakPolarHBondContact CE-OE1 3.27Å; K10-E132 IonicContact NZ-OE1 2.76Å; K10-E132 PolarHBondContact NZ-OE1 2.65Å
11M97.1Very high96.8Very high17 Ų1751.4 Ų51.48%0.08428%0.281CS..EExtended strand (participates in β ladder)trans-70.7132.1178.6-173.8-178.3-69.500111.8K38 P39 R127 Y129M11-K38 HydrophobicContact CB-CB 4.49Å; M11-P39 WeakPolarHBondContact CB-O 3.4Å; M11-P39 VanDerWaalsContact CE-CD 3.49Å; M11-P39 HydrophobicContact CE-CG 3.57Å; M11-R127 HydrophobicContact CE-CB 4.48Å; M11-R127 VanDerWaalsContact SD-CZ 3.56Å; M11-R127 PolarHBondContact SD-NE 3.24Å; M11-R127 VanDerWaalsContact SD-NE 3.42Å; M11-R127 PolarHBondContact SD-NH2 2.96Å; M11-Y129 HydrophobicContact CB-CD1 3.7Å; M11-Y129 HydrophobicContact CB-CE1 3.7Å; M11-Y129 HydrophobicContact CB-CG 4.47Å; M11-Y129 HydrophobicContact CE-CD1 4.42Å; M11-Y129 HydrophobicContact CE-CE1 3.4Å; M11-Y129 VanDerWaalsContact CE-CE1 3.4Å; M11-Y129 HydrophobicContact CE-CE2 4.28Å; M11-Y129 WeakPolarHBondContact CE-OH 3.5Å; M11-Y129 HydrophobicContact CG-CD1 4.32Å; M11-Y129 HydrophobicContact CG-CE1 4.14Å
12T96.4Very high97.3Very high66 Ų6648.6 Ų48.641%0.40526%0.264SS..EExtended strand (participates in β ladder)trans-115.2-33.4-18055.60000112.8K10 T128 E130K10-T12 PolarHBondContact O-N 3.23Å; T12-T128 PolarHBondContact N-O 2.82Å; T12-T128 PolarHBondContact OG1-O 3.08Å; T12-E130 HydrophobicContact CG2-CB 4.04Å; T12-E130 HydrophobicContact CG2-CG 3.73Å
13S96.6Very high97.5Very high40 Ų4049.5 Ų49.528%0.2827%0.273SS..EExtended strand (participates in β ladder)trans-141.6158.5175.679.40000113.1R127 T128S13-R127 WeakPolarHBondContact O-CA 3.3Å; S13-T128 PolarHBondContact N-O 3.32Å; S13-T128 PolarHBondContact O-N 2.72Å; S13-T128 VanDerWaalsContact OG-CB 3.23Å; S13-T128 WeakPolarHBondContact OG-CB 3.45Å; S13-T128 PolarHBondContact OG-OG1 3.2Å; S13-T128 VanDerWaalsContact OG-OG1 3.12Å
14S97.1Very high97.6Very high48 Ų4845 Ų4534%0.33625%0.252SS..EExtended strand (participates in β ladder)trans-151.3122.7176-174.90000109F17 L126 R127S14-F17 WeakPolarHBondContact OG-CB 3.36Å; S14-L126 CarbonylContact C-O 3.46Å; S14-L126 WeakPolarHBondContact CA-O 3.46Å; S14-R127 VanDerWaalsContact OG-CZ 3.3Å; S14-R127 PolarHBondContact OG-NE 3.18Å
15E98Very high97.6Very high114 Ų11445.5 Ų45.553%0.53326%0.262SS..EExtended strand (participates in β ladder)trans-122.5136.4-175.4-66.3172.9-148.600109.7F17 A125 L126E15-F17 PolarHBondContact O-N 2.99Å; E15-A125 WeakPolarHBondContact O-CA 3.26Å; E15-A125 WeakPolarHBondContact O-CB 3.43Å; E15-L126 PolarHBondContact N-O 3.18Å; E15-L126 PolarHBondContact O-N 3.12Å; E15-L126 VanDerWaalsContact O-N 3.11Å
16N98.2Very high97.6Very high87 Ų8745.8 Ų45.847%0.46526%0.264SS..SBendtrans55.918.8177.2-155.836.9000116.2D18 E19 Y20 V124N16-D18 VanDerWaalsContact C-N 3.34Å; N16-D18 PolarHBondContact O-N 2.96Å; N16-E19 PolarHBondContact O-N 3.19Å; N16-E19 WeakPolarHBondContact OD1-CB 3.35Å; N16-E19 WeakPolarHBondContact OD1-CG 3.48Å; N16-Y20 PolarHBondContact O-N 3.03Å; N16-V124 WeakPolarHBondContact CB-O 3.43Å; N16-V124 PolarHBondContact ND2-O 3.36Å
17F97.7Very high97.4Very high34 Ų3445.3 Ų45.315%0.14927%0.27CS..Hα-helixtrans-70.1-27.4-174.6-167.1-109.7000113.6S14 E15 Y20 M21 A125 R127S14-F17 WeakPolarHBondContact OG-CB 3.36Å; E15-F17 PolarHBondContact O-N 2.99Å; F17-Y20 AromaticContact CD2-CD1 3.87Å; F17-Y20 HydrophobicContact CD2-CD1 3.87Å; F17-Y20 AromaticContact CE2-CD1 3.58Å; F17-Y20 HydrophobicContact CE2-CD1 3.58Å; F17-Y20 AromaticContact CE2-CE1 3.98Å; F17-Y20 HydrophobicContact CE2-CE1 3.98Å; F17-Y20 HydrophobicContact CZ-CD1 4.34Å; F17-Y20 PolarHBondContact O-N 2.85Å; F17-M21 HydrophobicContact CD1-CE 3.45Å; F17-M21 VanDerWaalsContact CD1-CE 3.45Å; F17-M21 HydrophobicContact CD1-CG 3.84Å; F17-M21 HydrophobicContact CD1-SD 3.71Å; F17-M21 HydrophobicContact CE1-CE 3.75Å; F17-M21 HydrophobicContact CE1-CG 3.47Å; F17-M21 VanDerWaalsContact CE1-CG 3.47Å; F17-M21 HydrophobicContact CE1-SD 3.3Å; F17-M21 WeakPolarHBondContact CE1-SD 3.45Å; F17-M21 HydrophobicContact CE2-CG 4.47Å; F17-M21 HydrophobicContact CG-CE 4.42Å; F17-M21 HydrophobicContact CG-CG 4.48Å; F17-M21 HydrophobicContact CZ-CG 3.83Å; F17-M21 HydrophobicContact CZ-SD 4.17Å; F17-M21 WeakPolarHBondContact O-CB 3.3Å; F17-M21 WeakPolarHBondContact O-CG 3.33Å; F17-M21 PolarHBondContact O-N 3.41Å; F17-A125 HydrophobicContact CB-CB 4.43Å; F17-A125 HydrophobicContact CD2-CB 4.19Å; F17-R127 HydrophobicContact CD2-CG 4.44Å
18D97.8Very high97.3Very high36 Ų3650.6 Ų50.619%0.19329%0.286CS..Hα-helixtrans-61.9-47174-164.879.3000111.8N16 Y20 M21 K22 R31 N35N16-D18 VanDerWaalsContact C-N 3.34Å; N16-D18 PolarHBondContact O-N 2.96Å; D18-Y20 VanDerWaalsContact C-N 3.35Å; D18-Y20 PolarHBondContact O-N 2.86Å; D18-M21 PolarHBondContact O-N 2.88Å; D18-K22 WeakPolarHBondContact O-CB 3.38Å; D18-K22 PolarHBondContact O-N 2.84Å; D18-R31 WeakPolarHBondContact O-CD 3.4Å; D18-R31 VanDerWaalsContact OD1-CB 3.31Å; D18-R31 WeakPolarHBondContact OD1-CB 3.47Å; D18-R31 IonicContact OD1-NE 3.45Å; D18-R31 PolarHBondContact OD1-NE 2.86Å; D18-R31 IonicContact OD2-CZ 3.74Å; D18-R31 IonicContact OD2-NE 3.35Å; D18-R31 PolarHBondContact OD2-NE 3.14Å; D18-R31 IonicContact OD2-NH2 3.18Å; D18-N35 PolarHBondContact N-OD1 3.3Å; D18-N35 PolarHBondContact OD1-ND2 2.83Å
19E98.5Very high97Very high75 Ų7552.1 Ų52.135%0.3530%0.302SS..Hα-helixtrans-66.2-39178.8-67.6-57138.300111N16 K22 A23 V123N16-E19 PolarHBondContact O-N 3.19Å; N16-E19 WeakPolarHBondContact OD1-CB 3.35Å; N16-E19 WeakPolarHBondContact OD1-CG 3.48Å; E19-K22 WeakPolarHBondContact O-CB 3.38Å; E19-K22 PolarHBondContact O-N 2.76Å; E19-K22 IonicContact OE1-NZ 2.72Å; E19-K22 IonicContact OE2-NZ 3.04Å; E19-K22 PolarHBondContact OE2-NZ 3.4Å; E19-A23 WeakPolarHBondContact O-CB 3.33Å; E19-A23 PolarHBondContact O-N 2.82Å; E19-V123 HydrophobicContact CB-CG1 4Å
20Y98.6Very high96.7Very high7 Ų755 Ų553%0.02732%0.321CS..Hα-helixtrans-60-48.7172.4170.5-99000112N16 F17 D18 K22 A23 I24 T103 C118 M120 A125N16-Y20 PolarHBondContact O-N 3.03Å; F17-Y20 AromaticContact CD2-CD1 3.87Å; F17-Y20 HydrophobicContact CD2-CD1 3.87Å; F17-Y20 AromaticContact CE2-CD1 3.58Å; F17-Y20 HydrophobicContact CE2-CD1 3.58Å; F17-Y20 AromaticContact CE2-CE1 3.98Å; F17-Y20 HydrophobicContact CE2-CE1 3.98Å; F17-Y20 HydrophobicContact CZ-CD1 4.34Å; F17-Y20 PolarHBondContact O-N 2.85Å; D18-Y20 VanDerWaalsContact C-N 3.35Å; D18-Y20 PolarHBondContact O-N 2.86Å; Y20-K22 VanDerWaalsContact C-N 3.26Å; Y20-K22 PolarHBondContact O-N 2.82Å; Y20-A23 PolarHBondContact O-N 3.01Å; Y20-I24 HydrophobicContact CD1-CD1 4.34Å; Y20-I24 HydrophobicContact CD2-CG2 4.43Å; Y20-I24 HydrophobicContact CE1-CD1 3.72Å; Y20-I24 HydrophobicContact CE1-CG2 4.38Å; Y20-I24 HydrophobicContact CE2-CG2 3.83Å; Y20-I24 PolarHBondContact O-N 2.98Å; Y20-I24 VanDerWaalsContact O-N 3.08Å; Y20-T103 WeakPolarHBondContact CE2-OG1 3.42Å; Y20-T103 PolarHBondContact OH-OG1 2.89Å; Y20-C118 HydrophobicContact CD1-CB 3.97Å; Y20-C118 HydrophobicContact CD2-CB 3.68Å; Y20-C118 HydrophobicContact CE1-CB 3.83Å; Y20-C118 HydrophobicContact CE2-CB 3.54Å; Y20-C118 HydrophobicContact CG-CB 3.9Å; Y20-M120 HydrophobicContact CD2-CB 4.17Å; Y20-M120 HydrophobicContact CE2-CB 4.02Å; Y20-A125 HydrophobicContact CG-CB 4.2Å
21M97.9Very high96.6Very high10 Ų1052.3 Ų52.35%0.04931%0.308CS..Hα-helixtrans-59.8-39.2176.9-78.3-171-67.100111.6F17 D18 I24 G25 V26 R31 N35F17-M21 HydrophobicContact CD1-CE 3.45Å; F17-M21 VanDerWaalsContact CD1-CE 3.45Å; F17-M21 HydrophobicContact CD1-CG 3.84Å; F17-M21 HydrophobicContact CD1-SD 3.71Å; F17-M21 HydrophobicContact CE1-CE 3.75Å; F17-M21 HydrophobicContact CE1-CG 3.47Å; F17-M21 VanDerWaalsContact CE1-CG 3.47Å; F17-M21 HydrophobicContact CE1-SD 3.3Å; F17-M21 WeakPolarHBondContact CE1-SD 3.45Å; F17-M21 HydrophobicContact CE2-CG 4.47Å; F17-M21 HydrophobicContact CG-CE 4.42Å; F17-M21 HydrophobicContact CG-CG 4.48Å; F17-M21 HydrophobicContact CZ-CG 3.83Å; F17-M21 HydrophobicContact CZ-SD 4.17Å; F17-M21 WeakPolarHBondContact O-CB 3.3Å; F17-M21 WeakPolarHBondContact O-CG 3.33Å; F17-M21 PolarHBondContact O-N 3.41Å; D18-M21 PolarHBondContact O-N 2.88Å; M21-I24 VanDerWaalsContact O-CG1 3.26Å; M21-I24 WeakPolarHBondContact O-CG1 3.45Å; M21-G25 PolarHBondContact O-N 3.44Å; M21-V26 HydrophobicContact CB-CB 4Å; M21-V26 HydrophobicContact CB-CG2 4.07Å; M21-V26 HydrophobicContact CG-CG2 4.41Å; M21-V26 WeakPolarHBondContact O-CB 3.4Å; M21-V26 VanDerWaalsContact O-CG2 3.3Å; M21-V26 WeakPolarHBondContact O-CG2 3.5Å; M21-V26 PolarHBondContact O-N 2.85Å; M21-R31 HydrophobicContact CB-CG 3.78Å; M21-R31 HydrophobicContact CE-CB 3.79Å; M21-R31 HydrophobicContact CE-CG 4.19Å; M21-R31 WeakPolarHBondContact CE-O 3.49Å; M21-R31 HydrophobicContact SD-CB 4.32Å; M21-R31 HydrophobicContact SD-CG 4.29Å; M21-N35 WeakPolarHBondContact CE-OD1 3.33Å
22K98.1Very high96.5Very high106 Ų10655.7 Ų55.746%0.46132%0.324SS..Hα-helixtrans-65-42.9175.6177.6176.5153.8-149.70111.7D18 E19 Y20 I24 G25D18-K22 WeakPolarHBondContact O-CB 3.38Å; D18-K22 PolarHBondContact O-N 2.84Å; E19-K22 WeakPolarHBondContact O-CB 3.38Å; E19-K22 PolarHBondContact O-N 2.76Å; E19-K22 IonicContact OE1-NZ 2.72Å; E19-K22 IonicContact OE2-NZ 3.04Å; E19-K22 PolarHBondContact OE2-NZ 3.4Å; Y20-K22 VanDerWaalsContact C-N 3.26Å; Y20-K22 PolarHBondContact O-N 2.82Å; K22-I24 PolarHBondContact O-N 2.81Å; K22-G25 PolarHBondContact O-N 2.92Å
23A98.1Very high96.2Very high31 Ų3157 Ų5726%0.25633%0.326SS..Hα-helixtrans-62.2-39.6178.800000112.6E19 Y20 G25 M120 V123E19-A23 WeakPolarHBondContact O-CB 3.33Å; E19-A23 PolarHBondContact O-N 2.82Å; Y20-A23 PolarHBondContact O-N 3.01Å; A23-G25 PolarHBondContact O-N 3.05Å; A23-M120 HydrophobicContact CB-CB 4.06Å; A23-M120 HydrophobicContact CB-CG 3.84Å; A23-V123 HydrophobicContact CB-CB 4.2Å; A23-V123 HydrophobicContact CB-CG2 4.05Å
24I97.4Very high96Very high9 Ų956 Ų565%0.04632%0.322CS..THydrogen-bonded Turntrans-78.6-0.5175.269.8-179.5000113.4Y20 M21 K22 V26 W98 M120Y20-I24 HydrophobicContact CD1-CD1 4.34Å; Y20-I24 HydrophobicContact CD2-CG2 4.43Å; Y20-I24 HydrophobicContact CE1-CD1 3.72Å; Y20-I24 HydrophobicContact CE1-CG2 4.38Å; Y20-I24 HydrophobicContact CE2-CG2 3.83Å; Y20-I24 PolarHBondContact O-N 2.98Å; Y20-I24 VanDerWaalsContact O-N 3.08Å; M21-I24 VanDerWaalsContact O-CG1 3.26Å; M21-I24 WeakPolarHBondContact O-CG1 3.45Å; K22-I24 PolarHBondContact O-N 2.81Å; I24-V26 HydrophobicContact CD1-CG2 3.94Å; I24-V26 HydrophobicContact CG1-CG2 3.79Å; I24-W98 HydrophobicContact CB-CH2 4.19Å; I24-W98 HydrophobicContact CB-CZ2 4.17Å; I24-W98 HydrophobicContact CG2-CH2 4.16Å; I24-M120 HydrophobicContact CG2-CB 3.87Å; I24-M120 HydrophobicContact CG2-CG 3.84Å; I24-M120 HydrophobicContact CG2-SD 4.07Å
25G95.6Very high95.8Very high60 Ų6056.7 Ų56.762%0.61932%0.322SS*.THydrogen-bonded Turntrans95.613.2172.600000116M21 K22 A23 G27M21-G25 PolarHBondContact O-N 3.44Å; K22-G25 PolarHBondContact O-N 2.92Å; A23-G25 PolarHBondContact O-N 3.05Å; G25-G27 PolarHBondContact O-N 2.87Å
26V96.1Very high95.5Very high11 Ų1157.6 Ų57.67%0.06733%0.328CS..  trans-69.8127.4178.7-175.50000110.8M21 I24 T30 R31 D77M21-V26 HydrophobicContact CB-CB 4Å; M21-V26 HydrophobicContact CB-CG2 4.07Å; M21-V26 HydrophobicContact CG-CG2 4.41Å; M21-V26 WeakPolarHBondContact O-CB 3.4Å; M21-V26 VanDerWaalsContact O-CG2 3.3Å; M21-V26 WeakPolarHBondContact O-CG2 3.5Å; M21-V26 PolarHBondContact O-N 2.85Å; I24-V26 HydrophobicContact CD1-CG2 3.94Å; I24-V26 HydrophobicContact CG1-CG2 3.79Å; V26-T30 HydrophobicContact CG1-CG2 3.57Å; V26-R31 HydrophobicContact CB-CG 3.89Å; V26-R31 HydrophobicContact CG1-CG 3.67Å; V26-R31 WeakPolarHBondContact O-CD 3.28Å; V26-R31 WeakPolarHBondContact O-CG 3.16Å; V26-R31 PolarHBondContact O-NH1 2.84Å; V26-D77 HydrophobicContact CG2-CB 3.79Å; V26-D77 WeakPolarHBondContact CG2-OD2 3.39Å
27G95.3Very high95.1Very high45 Ų4554 Ų5446%0.46431%0.31SS..  trans-64.3151.2177.400000113.6G25 A29 T30 R31G25-G27 PolarHBondContact O-N 2.87Å; G27-A29 PolarHBondContact O-N 2.87Å; G27-T30 PolarHBondContact O-N 2.82Å; G27-T30 VanDerWaalsContact O-N 3.11Å; G27-R31 WeakPolarHBondContact O-CG 3.33Å; G27-R31 PolarHBondContact O-N 2.85Å; G27-R31 VanDerWaalsContact O-N 3.08Å
28F94Very high94.8Very high136 Ų13659.4 Ų59.460%0.59633%0.334SS*.Hα-helixtrans-51.3-46.5-170.7178.4-99.4000114.3T30 R31 Q32F28-T30 PolarHBondContact O-N 2.96Å; F28-R31 WeakPolarHBondContact O-CB 3.41Å; F28-R31 PolarHBondContact O-N 2.85Å; F28-Q32 HydrophobicContact CD1-CG 4.43Å; F28-Q32 HydrophobicContact CE1-CG 4.02Å; F28-Q32 HydrophobicContact CE2-CG 4.5Å; F28-Q32 HydrophobicContact CZ-CG 4.05Å; F28-Q32 WeakPolarHBondContact O-CG 3.48Å; F28-Q32 PolarHBondContact O-N 2.95Å; F28-Q32 VanDerWaalsContact O-N 3.08Å
29A92.8Very high94.7Very high68 Ų6858.4 Ų58.456%0.56233%0.329SS*.Hα-helixtrans-61.9-43.8-179.400000112.5G27 R31 Q32 M33G27-A29 PolarHBondContact O-N 2.87Å; A29-R31 VanDerWaalsContact C-N 3.29Å; A29-R31 PolarHBondContact O-N 2.91Å; A29-Q32 PolarHBondContact O-N 2.81Å; A29-M33 PolarHBondContact O-N 2.79Å
30T91.8Very high94.5Very high67 Ų6756.8 Ų56.841%0.41132%0.323SS..Hα-helixtrans-65.2-35.2176.6-540000111.4V26 G27 F28 M33 G34V26-T30 HydrophobicContact CG1-CG2 3.57Å; G27-T30 PolarHBondContact O-N 2.82Å; G27-T30 VanDerWaalsContact O-N 3.11Å; F28-T30 PolarHBondContact O-N 2.96Å; T30-M33 PolarHBondContact O-N 3Å; T30-G34 PolarHBondContact O-N 2.81Å
31R95.7Very high94.5Very high31 Ų3156.7 Ų56.712%0.11732%0.323CS..Hα-helixtrans-63.9-42.4175.3-60.5-156.2-53.7-87.54.9112.8D18 M21 V26 G27 F28 A29 M33 G34 N35D18-R31 WeakPolarHBondContact O-CD 3.4Å; D18-R31 VanDerWaalsContact OD1-CB 3.31Å; D18-R31 WeakPolarHBondContact OD1-CB 3.47Å; D18-R31 IonicContact OD1-NE 3.45Å; D18-R31 PolarHBondContact OD1-NE 2.86Å; D18-R31 IonicContact OD2-CZ 3.74Å; D18-R31 IonicContact OD2-NE 3.35Å; D18-R31 PolarHBondContact OD2-NE 3.14Å; D18-R31 IonicContact OD2-NH2 3.18Å; M21-R31 HydrophobicContact CB-CG 3.78Å; M21-R31 HydrophobicContact CE-CB 3.79Å; M21-R31 HydrophobicContact CE-CG 4.19Å; M21-R31 WeakPolarHBondContact CE-O 3.49Å; M21-R31 HydrophobicContact SD-CB 4.32Å; M21-R31 HydrophobicContact SD-CG 4.29Å; V26-R31 HydrophobicContact CB-CG 3.89Å; V26-R31 HydrophobicContact CG1-CG 3.67Å; V26-R31 WeakPolarHBondContact O-CD 3.28Å; V26-R31 WeakPolarHBondContact O-CG 3.16Å; V26-R31 PolarHBondContact O-NH1 2.84Å; G27-R31 WeakPolarHBondContact O-CG 3.33Å; G27-R31 PolarHBondContact O-N 2.85Å; G27-R31 VanDerWaalsContact O-N 3.08Å; F28-R31 WeakPolarHBondContact O-CB 3.41Å; F28-R31 PolarHBondContact O-N 2.85Å; A29-R31 VanDerWaalsContact C-N 3.29Å; A29-R31 PolarHBondContact O-N 2.91Å; R31-M33 VanDerWaalsContact C-N 3.31Å; R31-M33 PolarHBondContact O-N 3.27Å; R31-G34 PolarHBondContact O-N 3.35Å; R31-G34 VanDerWaalsContact O-N 3.12Å; R31-N35 PolarHBondContact O-N 2.86Å; R31-N35 PolarHBondContact O-ND2 2.78Å
32Q94.3Very high94.5Very high88 Ų8858.4 Ų58.441%0.41133%0.332SS..Hα-helixtrans-56.8-46.2175.8-66.9-60.8-55.800111.3F28 A29 N35 M36F28-Q32 HydrophobicContact CD1-CG 4.43Å; F28-Q32 HydrophobicContact CE1-CG 4.02Å; F28-Q32 HydrophobicContact CE2-CG 4.5Å; F28-Q32 HydrophobicContact CZ-CG 4.05Å; F28-Q32 WeakPolarHBondContact O-CG 3.48Å; F28-Q32 PolarHBondContact O-N 2.95Å; F28-Q32 VanDerWaalsContact O-N 3.08Å; A29-Q32 PolarHBondContact O-N 2.81Å; Q32-N35 PolarHBondContact O-N 2.87Å; Q32-M36 WeakPolarHBondContact O-CG 3.22Å; Q32-M36 PolarHBondContact O-N 2.97Å
33M91.7Very high94.5Very high94 Ų9453.9 Ų53.946%0.46331%0.312SS..Hα-helixtrans-64.3-42174.8-66.2-173.2-71.400112.4A29 T30 R31 N35 M36 A37A29-M33 PolarHBondContact O-N 2.79Å; T30-M33 PolarHBondContact O-N 3Å; R31-M33 VanDerWaalsContact C-N 3.31Å; R31-M33 PolarHBondContact O-N 3.27Å; M33-N35 VanDerWaalsContact C-N 3.33Å; M33-N35 PolarHBondContact O-N 3.42Å; M33-M36 PolarHBondContact O-N 2.89Å; M33-A37 WeakPolarHBondContact O-CB 3.48Å; M33-A37 PolarHBondContact O-N 2.82Å
34G91.8Very high94.5Very high18 Ų1855.5 Ų55.519%0.18632%0.321CS..Hα-helixtrans-63.5-33.5179.300000114.2T30 R31T30-G34 PolarHBondContact O-N 2.81Å; R31-G34 PolarHBondContact O-N 3.35Å; R31-G34 VanDerWaalsContact O-N 3.12Å
35N93.1Very high94.5Very high64 Ų6457.9 Ų57.934%0.34233%0.334SS..Hα-helixtrans-74.7-32.3175.1-71.7-48.5000112.6D18 M21 R31 Q32 M33D18-N35 PolarHBondContact N-OD1 3.3Å; D18-N35 PolarHBondContact OD1-ND2 2.83Å; M21-N35 WeakPolarHBondContact CE-OD1 3.33Å; R31-N35 PolarHBondContact O-N 2.86Å; R31-N35 PolarHBondContact O-ND2 2.78Å; Q32-N35 PolarHBondContact O-N 2.87Å; M33-N35 VanDerWaalsContact C-N 3.33Å; M33-N35 PolarHBondContact O-N 3.42Å
36M91.2Very high94.6Very high133 Ų13361.1 Ų61.166%0.65534%0.337SS*.Hα-helixtrans-75.2-27.5174.1-70.8173.645.700112.4Q32 M33 F58Q32-M36 WeakPolarHBondContact O-CG 3.22Å; Q32-M36 PolarHBondContact O-N 2.97Å; M33-M36 PolarHBondContact O-N 2.89Å; M36-F58 HydrophobicContact CE-CZ 4.27Å
37A90.4Very high94.5Very high10 Ų1068 Ų688%0.08337%0.373CS..  trans-69.2132.6-179.600000111.9M33 P39 F58 R127M33-A37 WeakPolarHBondContact O-CB 3.48Å; M33-A37 PolarHBondContact O-N 2.82Å; A37-P39 VanDerWaalsContact C-CD 3.41Å; A37-P39 VanDerWaalsContact O-CD 3.3Å; A37-P39 WeakPolarHBondContact O-CD 3.46Å; A37-F58 HydrophobicContact CB-CD2 3.79Å; A37-F58 HydrophobicContact CB-CE2 4.13Å; A37-R127 PolarHBondContact O-NH2 2.8Å
38K91.8Very high94.3Very high149 Ų14968.4 Ų68.465%0.64838%0.377SS*.  trans-116.173.7170.6-62.6-175.1-178.6-174.80109.3M11M11-K38 HydrophobicContact CB-CB 4.49Å
39P93.8Very high94.5Very high14 Ų1464.4 Ų64.49%0.09136%0.364CS..PPolyproline II helixtrans-66.6139-178.125.4-32.9000111.2M11 A37 S54 Q55 Y129M11-P39 WeakPolarHBondContact CB-O 3.4Å; M11-P39 VanDerWaalsContact CE-CD 3.49Å; M11-P39 HydrophobicContact CE-CG 3.57Å; A37-P39 VanDerWaalsContact C-CD 3.41Å; A37-P39 VanDerWaalsContact O-CD 3.3Å; A37-P39 WeakPolarHBondContact O-CD 3.46Å; P39-S54 WeakPolarHBondContact CB-OG 3.31Å; P39-Q55 CarbonylContact C-O 3.53Å; P39-Q55 WeakPolarHBondContact CA-O 3.43Å; P39-Y129 WeakPolarHBondContact O-CE1 3.46Å
40N95.9Very high94.7Very high42 Ų4261.4 Ų61.423%0.22534%0.339CS..EExtended strand (participates in β ladder)trans-81.6143.3164-63.2-17.9000109.2T8 W9 K10 L42 S54 Q55T8-N40 HydrophobicContact CG2-CB 4.34Å; W9-N40 CarbonylContact O-C 3.58Å; W9-N40 VanDerWaalsContact O-CA 3.22Å; W9-N40 WeakPolarHBondContact O-CA 3.42Å; K10-N40 WeakPolarHBondContact CA-OD1 3.31Å; N40-L42 HydrophobicContact CB-CD1 3.9Å; N40-S54 WeakPolarHBondContact O-CA 3.47Å; N40-Q55 PolarHBondContact N-O 2.82Å; N40-Q55 PolarHBondContact O-N 2.8Å
41L97.8Very high95Very high5 Ų558.7 Ų58.73%0.02632%0.322CS..EExtended strand (participates in β ladder)trans-102.3122.7170.3-63.3178.4000109.5T8 W9 F43 K53 L114 Y129T8-L41 CarbonylContact C-O 3.5Å; T8-L41 WeakPolarHBondContact CA-O 3.49Å; W9-L41 HydrophobicContact CB-CB 4.31Å; W9-L41 PolarHBondContact N-O 2.77Å; W9-L41 PolarHBondContact O-N 2.86Å; L41-F43 HydrophobicContact CB-CD2 4.36Å; L41-F43 HydrophobicContact CB-CE2 3.72Å; L41-F43 HydrophobicContact CB-CZ 4.46Å; L41-F43 HydrophobicContact CD1-CE2 4.24Å; L41-F43 HydrophobicContact CD1-CZ 4.43Å; L41-K53 CarbonylContact C-O 3.59Å; L41-K53 WeakPolarHBondContact CA-O 3.44Å; L41-L114 HydrophobicContact CD1-CD2 4.29Å; L41-Y129 HydrophobicContact CB-CE1 4.49Å; L41-Y129 HydrophobicContact CD1-CD1 4.24Å; L41-Y129 HydrophobicContact CD1-CD2 4.42Å; L41-Y129 HydrophobicContact CD1-CE1 3.72Å; L41-Y129 HydrophobicContact CD1-CE2 3.94Å; L41-Y129 HydrophobicContact CG-CD1 4.18Å; L41-Y129 HydrophobicContact CG-CE1 3.6Å
42L98.3Very high95.1Very high46 Ų4657.9 Ų57.924%0.24132%0.32CS..EExtended strand (participates in β ladder)trans-112.6121.2177.2-6774000108T8 N40 M52 K53 Q55T8-L42 HydrophobicContact CG2-CD1 4.14Å; T8-L42 HydrophobicContact CG2-CG 3.98Å; N40-L42 HydrophobicContact CB-CD1 3.9Å; L42-M52 WeakPolarHBondContact O-CA 3.36Å; L42-K53 HydrophobicContact CB-CB 4.24Å; L42-K53 PolarHBondContact N-O 2.94Å; L42-K53 PolarHBondContact O-N 3.11Å; L42-Q55 HydrophobicContact CD1-CB 4.19Å
43F98.3Very high95.3Very high11 Ų1156.7 Ų56.75%0.04831%0.314CS..EExtended strand (participates in β ladder)trans-112132.3177-67.9-91000110.4F5 G7 W9 L41 S51 M52 L92 L114F5-F43 HydrophobicContact CB-CD1 4.37Å; F5-F43 HydrophobicContact CB-CD2 4.38Å; F5-F43 HydrophobicContact CB-CG 4.2Å; F5-F43 WeakPolarHBondContact O-CB 3.43Å; F5-F43 WeakPolarHBondContact O-CD2 3.49Å; G7-F43 PolarHBondContact N-O 2.86Å; G7-F43 PolarHBondContact O-N 3.38Å; W9-F43 AromaticContact CD1-CD2 3.76Å; L41-F43 HydrophobicContact CB-CD2 4.36Å; L41-F43 HydrophobicContact CB-CE2 3.72Å; L41-F43 HydrophobicContact CB-CZ 4.46Å; L41-F43 HydrophobicContact CD1-CE2 4.24Å; L41-F43 HydrophobicContact CD1-CZ 4.43Å; F43-S51 WeakPolarHBondContact CA-O 3.38Å; F43-M52 HydrophobicContact CD1-CB 3.97Å; F43-M52 HydrophobicContact CD1-CG 3.96Å; F43-M52 HydrophobicContact CE1-CB 3.77Å; F43-M52 HydrophobicContact CE1-CG 3.38Å; F43-M52 HydrophobicContact CE1-SD 3.53Å; F43-M52 VanDerWaalsContact CE1-SD 3.53Å; F43-M52 HydrophobicContact CE2-CG 4.46Å; F43-M52 HydrophobicContact CZ-CG 3.67Å; F43-M52 HydrophobicContact CZ-SD 3.62Å; F43-L92 HydrophobicContact CE1-CD2 3.84Å; F43-L114 HydrophobicContact CE2-CD1 3.77Å; F43-L114 HydrophobicContact CZ-CD1 4.37Å
44S98.1Very high95.5Very high64 Ų6453.6 Ų53.645%0.44830%0.301SS..EExtended strand (participates in β ladder)trans-138.1157.5169.967.70000110.8I50 S51S44-I50 WeakPolarHBondContact O-CA 3.23Å; S44-S51 PolarHBondContact N-O 2.94Å; S44-S51 PolarHBondContact O-N 2.89Å
45I97.7Very high95.7Very high59 Ų5957 Ų5730%0.30331%0.312SS..EExtended strand (participates in β ladder)trans-129.5128.2176.5-58.6177.2000107.2V2 E3 V6 V49 I50V2-I45 HydrophobicContact CG1-CD1 3.98Å; E3-I45 HydrophobicContact CB-CD1 4.5Å; E3-I45 HydrophobicContact CG-CD1 4.01Å; V6-I45 HydrophobicContact CG2-CD1 3.75Å; V6-I45 HydrophobicContact CG2-CG1 3.81Å; I45-V49 WeakPolarHBondContact CA-O 3.31Å; I45-I50 HydrophobicContact CD1-CG1 4.35Å; I45-I50 HydrophobicContact CG1-CG1 4.03Å
46D96.8Very high95.5Very high128 Ų12855.2 Ų55.268%0.68431%0.305SS*.EExtended strand (participates in β ladder)trans-137.7122.4176.1-175.132.3000108.6G48 V49D46-G48 VanDerWaalsContact C-N 3.26Å; D46-G48 PolarHBondContact O-N 2.86Å; D46-G48 VanDerWaalsContact O-N 3.14Å; D46-V49 PolarHBondContact N-O 2.67Å; D46-V49 WeakPolarHBondContact O-CA 3.12Å; D46-V49 WeakPolarHBondContact O-CB 3.42Å; D46-V49 PolarHBondContact O-N 2.92Å
47D93.8Very high95.2Very high155 Ų15555.2 Ų55.283%0.82931%0.313SS*.THydrogen-bonded Turntrans45.145.7-178.3-161.526.4000114.6V49D47-V49 PolarHBondContact O-N 2.85Å
48G91.9Very high94.7Very high54 Ų5459.9 Ų59.956%0.55733%0.331SS*.THydrogen-bonded Turntrans74.2-0.4-179.300000115.5D46D46-G48 VanDerWaalsContact C-N 3.26Å; D46-G48 PolarHBondContact O-N 2.86Å; D46-G48 VanDerWaalsContact O-N 3.14Å
49V97.4Very high94.4Very high52 Ų5256.9 Ų56.932%0.31532%0.318SS..EExtended strand (participates in β ladder)trans-92.8125171.8-177.10000109.3I45 D46 D47 K64 K66I45-V49 WeakPolarHBondContact CA-O 3.31Å; D46-V49 PolarHBondContact N-O 2.67Å; D46-V49 WeakPolarHBondContact O-CA 3.12Å; D46-V49 WeakPolarHBondContact O-CB 3.42Å; D46-V49 PolarHBondContact O-N 2.92Å; D47-V49 PolarHBondContact O-N 2.85Å; V49-K64 HydrophobicContact CG1-CB 4.27Å; V49-K66 HydrophobicContact CG2-CG 4.3Å
50I98.3Very high94.3Very high6 Ų659.6 Ų59.63%0.03133%0.334CS..EExtended strand (participates in β ladder)trans-92.5129.8177.1-57.3156000108.1V2 S44 I45 K64 F65 L67V2-I50 HydrophobicContact CG1-CD1 4.06Å; V2-I50 HydrophobicContact CG2-CD1 3.95Å; S44-I50 WeakPolarHBondContact O-CA 3.23Å; I45-I50 HydrophobicContact CD1-CG1 4.35Å; I45-I50 HydrophobicContact CG1-CG1 4.03Å; I50-K64 CarbonylContact O-C 3.58Å; I50-K64 VanDerWaalsContact O-CA 3.31Å; I50-K64 WeakPolarHBondContact O-CA 3.33Å; I50-F65 HydrophobicContact CB-CD2 4.18Å; I50-F65 HydrophobicContact CB-CE1 4.19Å; I50-F65 HydrophobicContact CB-CE2 3.76Å; I50-F65 HydrophobicContact CB-CZ 3.77Å; I50-F65 HydrophobicContact CD1-CD2 4.18Å; I50-F65 HydrophobicContact CD1-CE2 3.59Å; I50-F65 HydrophobicContact CD1-CZ 4.25Å; I50-F65 HydrophobicContact CG1-CE2 4.29Å; I50-F65 HydrophobicContact CG2-CE1 3.91Å; I50-F65 HydrophobicContact CG2-CE2 3.92Å; I50-F65 HydrophobicContact CG2-CZ 3.45Å; I50-F65 VanDerWaalsContact CG2-CZ 3.45Å; I50-F65 PolarHBondContact N-O 3.01Å; I50-F65 PolarHBondContact O-N 2.9Å; I50-L67 HydrophobicContact CD1-CD1 4.11Å; I50-L67 HydrophobicContact CD1-CD2 3.84Å; I50-L67 HydrophobicContact CD1-CG 3.62Å
51S98.1Very high94.2Very high10 Ų1059.3 Ų59.37%0.0733%0.334CS..EExtended strand (participates in β ladder)trans-104.8128.5165.4-178.10000109.7F43 S44 E62 A63F43-S51 WeakPolarHBondContact CA-O 3.38Å; S44-S51 PolarHBondContact N-O 2.94Å; S44-S51 PolarHBondContact O-N 2.89Å; S51-E62 WeakPolarHBondContact OG-CG 3.2Å; S51-E62 PolarHBondContact OG-OE1 3.23Å; S51-A63 WeakPolarHBondContact CA-O 3.33Å
52M97.9Very high94.2Very high14 Ų1463.2 Ų63.27%0.06935%0.352CS..EExtended strand (participates in β ladder)trans-118.2110169.2-179.2-176.971.100108.7L42 F43 E62 A63 F65 M85L42-M52 WeakPolarHBondContact O-CA 3.36Å; F43-M52 HydrophobicContact CD1-CB 3.97Å; F43-M52 HydrophobicContact CD1-CG 3.96Å; F43-M52 HydrophobicContact CE1-CB 3.77Å; F43-M52 HydrophobicContact CE1-CG 3.38Å; F43-M52 HydrophobicContact CE1-SD 3.53Å; F43-M52 VanDerWaalsContact CE1-SD 3.53Å; F43-M52 HydrophobicContact CE2-CG 4.46Å; F43-M52 HydrophobicContact CZ-CG 3.67Å; F43-M52 HydrophobicContact CZ-SD 3.62Å; M52-E62 WeakPolarHBondContact O-CA 3.34Å; M52-A63 PolarHBondContact N-O 2.83Å; M52-A63 PolarHBondContact O-N 3.02Å; M52-F65 HydrophobicContact CB-CE1 4Å; M52-M85 HydrophobicContact CE-CE 3.82Å
53K97.4Very high94.1Very high63 Ų6361.4 Ų61.427%0.27434%0.344SS..EExtended strand (participates in β ladder)trans-104.3127.6176.9174.2168.8-77.1157.30110.4L41 L42 Q55 T60 T61 E62L41-K53 CarbonylContact C-O 3.59Å; L41-K53 WeakPolarHBondContact CA-O 3.44Å; L42-K53 HydrophobicContact CB-CB 4.24Å; L42-K53 PolarHBondContact N-O 2.94Å; L42-K53 PolarHBondContact O-N 3.11Å; K53-Q55 HydrophobicContact CG-CB 4.5Å; K53-T60 HydrophobicContact CD-CG2 3.94Å; K53-T60 HydrophobicContact CG-CG2 3.84Å; K53-T61 CarbonylContact C-O 3.48Å; K53-T61 VanDerWaalsContact CA-O 3.31Å; K53-T61 WeakPolarHBondContact CA-O 3.5Å; K53-E62 HydrophobicContact CB-CB 4.43Å; K53-E62 HydrophobicContact CB-CG 4.29Å; K53-E62 WeakPolarHBondContact CE-OE2 3.4Å; K53-E62 IonicContact NZ-OE2 3.92Å; K53-E62 PolarHBondContact NZ-OE2 2.95Å
54S96.2Very high94.1Very high29 Ų2967.3 Ų67.320%0.20337%0.37CS..EExtended strand (participates in β ladder)trans-104.8109.2171.8171.60000108.6P39 N40 T60 T61P39-S54 WeakPolarHBondContact CB-OG 3.31Å; N40-S54 WeakPolarHBondContact O-CA 3.47Å; S54-T60 CarbonylContact O-C 3.59Å; S54-T60 VanDerWaalsContact O-CA 3.28Å; S54-T60 WeakPolarHBondContact O-CA 3.35Å; S54-T61 PolarHBondContact N-O 3.48Å; S54-T61 PolarHBondContact O-N 3.42Å
55Q94.8Very high94.1Very high88 Ų8864.6 Ų64.641%0.41135%0.35SS..EExtended strand (participates in β ladder)trans-115.4120-172.6-178177.551.200111P39 N40 L42 K53 T60P39-Q55 CarbonylContact C-O 3.53Å; P39-Q55 WeakPolarHBondContact CA-O 3.43Å; N40-Q55 PolarHBondContact N-O 2.82Å; N40-Q55 PolarHBondContact O-N 2.8Å; L42-Q55 HydrophobicContact CD1-CB 4.19Å; K53-Q55 HydrophobicContact CG-CB 4.5Å; Q55-T60 HydrophobicContact CB-CG2 4.27Å; Q55-T60 HydrophobicContact CG-CG2 4.44Å
56S89.9Confident94.1Very high27 Ų2766.2 Ų66.219%0.18936%0.355CS..  trans-128.3174.1171.268.90000110.9F58 K59S56-F58 PolarHBondContact O-N 3.12Å; S56-F58 PolarHBondContact OG-N 3.03Å; S56-K59 PolarHBondContact N-O 2.81Å; S56-K59 VanDerWaalsContact N-O 3.08Å; S56-K59 PolarHBondContact OG-N 2.89Å; S56-K59 VanDerWaalsContact OG-N 3.09Å; S56-K59 PolarHBondContact OG-O 3.3Å
57T84.5Confident94.1Very high134 Ų13462.3 Ų62.382%0.82233%0.333SS*.SBendtrans-63.7-20.5170.750.90000113.5
58F80.2Confident94.3Very high108 Ų10860.6 Ų60.647%0.47432%0.324SS..SBendtrans-95.3-49.9-175.5-61.2-78.8000112.8M36 A37 S56M36-F58 HydrophobicContact CE-CZ 4.27Å; A37-F58 HydrophobicContact CB-CD2 3.79Å; A37-F58 HydrophobicContact CB-CE2 4.13Å; S56-F58 PolarHBondContact O-N 3.12Å; S56-F58 PolarHBondContact OG-N 3.03Å
59K85Confident94.6Very high86 Ų8663 Ų6337%0.37432%0.321SS..  trans-147.3145.4-176.1-166.3168.2-177.7174.80109.5S56 T61 A76 D78S56-K59 PolarHBondContact N-O 2.81Å; S56-K59 VanDerWaalsContact N-O 3.08Å; S56-K59 PolarHBondContact OG-N 2.89Å; S56-K59 VanDerWaalsContact OG-N 3.09Å; S56-K59 PolarHBondContact OG-O 3.3Å; K59-T61 HydrophobicContact CD-CG2 4.49Å; K59-T61 HydrophobicContact CG-CG2 4.32Å; K59-A76 PolarHBondContact NZ-O 3.42Å; K59-D78 IonicContact NZ-OD1 2.72Å; K59-D78 PolarHBondContact NZ-OD1 2.85Å; K59-D78 IonicContact NZ-OD2 3.77Å
60T92.8Very high94.7Very high70 Ų7066.4 Ų66.443%0.42933%0.334SS..EExtended strand (participates in β ladder)trans-116.1131.3167.7-610000108.5K53 S54 Q55K53-T60 HydrophobicContact CD-CG2 3.94Å; K53-T60 HydrophobicContact CG-CG2 3.84Å; S54-T60 CarbonylContact O-C 3.59Å; S54-T60 VanDerWaalsContact O-CA 3.28Å; S54-T60 WeakPolarHBondContact O-CA 3.35Å; Q55-T60 HydrophobicContact CB-CG2 4.27Å; Q55-T60 HydrophobicContact CG-CG2 4.44Å
61T94.1Very high94.7Very high36 Ų3668 Ų6822%0.22134%0.34CS..EExtended strand (participates in β ladder)trans-124.1152.1171.860.50000109.8K53 S54 K59 A76K53-T61 CarbonylContact C-O 3.48Å; K53-T61 VanDerWaalsContact CA-O 3.31Å; K53-T61 WeakPolarHBondContact CA-O 3.5Å; S54-T61 PolarHBondContact N-O 3.48Å; S54-T61 PolarHBondContact O-N 3.42Å; K59-T61 HydrophobicContact CD-CG2 4.49Å; K59-T61 HydrophobicContact CG-CG2 4.32Å; T61-A76 HydrophobicContact CG2-CB 3.86Å
62E96.3Very high94.7Very high88 Ų8873.2 Ų73.241%0.41137%0.367SS..EExtended strand (participates in β ladder)trans-138.4126.1178.2-174.8172.9178.300109.3S51 M52 K53 K64S51-E62 WeakPolarHBondContact OG-CG 3.2Å; S51-E62 PolarHBondContact OG-OE1 3.23Å; M52-E62 WeakPolarHBondContact O-CA 3.34Å; K53-E62 HydrophobicContact CB-CB 4.43Å; K53-E62 HydrophobicContact CB-CG 4.29Å; K53-E62 WeakPolarHBondContact CE-OE2 3.4Å; K53-E62 IonicContact NZ-OE2 3.92Å; K53-E62 PolarHBondContact NZ-OE2 2.95Å; E62-K64 HydrophobicContact CG-CG 4.37Å; E62-K64 WeakPolarHBondContact OE1-CE 3.47Å; E62-K64 IonicContact OE1-NZ 3.57Å
63A96.8Very high94.6Very high7 Ų774 Ų746%0.05837%0.371CS..EExtended strand (participates in β ladder)trans-108126.3170.400000108.6S51 M52 F65 F71S51-A63 WeakPolarHBondContact CA-O 3.33Å; M52-A63 PolarHBondContact N-O 2.83Å; M52-A63 PolarHBondContact O-N 3.02Å; A63-F65 HydrophobicContact CB-CD1 4.33Å; A63-F71 HydrophobicContact CB-CE2 4.36Å; A63-F71 HydrophobicContact CB-CZ 4.34Å
64K97.6Very high94.5Very high136 Ų13676.8 Ų76.859%0.59139%0.386SS*.EExtended strand (participates in β ladder)trans-113.4124.5172.2-67.2-172.9-179.4-173.10108.9V49 I50 E62V49-K64 HydrophobicContact CG1-CB 4.27Å; I50-K64 CarbonylContact O-C 3.58Å; I50-K64 VanDerWaalsContact O-CA 3.31Å; I50-K64 WeakPolarHBondContact O-CA 3.33Å; E62-K64 HydrophobicContact CG-CG 4.37Å; E62-K64 WeakPolarHBondContact OE1-CE 3.47Å; E62-K64 IonicContact OE1-NZ 3.57Å
65F98Very high94.4Very high6 Ų675.7 Ų75.73%0.02638%0.378CS..EExtended strand (participates in β ladder)trans-150.7159.5-170.160.2-88.9000112.1I50 M52 A63 L67 F71 M85 L92I50-F65 HydrophobicContact CB-CD2 4.18Å; I50-F65 HydrophobicContact CB-CE1 4.19Å; I50-F65 HydrophobicContact CB-CE2 3.76Å; I50-F65 HydrophobicContact CB-CZ 3.77Å; I50-F65 HydrophobicContact CD1-CD2 4.18Å; I50-F65 HydrophobicContact CD1-CE2 3.59Å; I50-F65 HydrophobicContact CD1-CZ 4.25Å; I50-F65 HydrophobicContact CG1-CE2 4.29Å; I50-F65 HydrophobicContact CG2-CE1 3.91Å; I50-F65 HydrophobicContact CG2-CE2 3.92Å; I50-F65 HydrophobicContact CG2-CZ 3.45Å; I50-F65 VanDerWaalsContact CG2-CZ 3.45Å; I50-F65 PolarHBondContact N-O 3.01Å; I50-F65 PolarHBondContact O-N 2.9Å; M52-F65 HydrophobicContact CB-CE1 4Å; A63-F65 HydrophobicContact CB-CD1 4.33Å; F65-L67 HydrophobicContact CE2-CD2 4.06Å; F65-F71 HydrophobicContact CB-CD1 3.84Å; F65-F71 HydrophobicContact CB-CE1 3.49Å; F65-F71 VanDerWaalsContact CB-CE1 3.49Å; F65-F71 HydrophobicContact CB-CZ 3.92Å; F65-F71 HydrophobicContact CD1-CZ 4.46Å; F65-F71 HydrophobicContact CG-CE1 4.21Å; F65-F71 HydrophobicContact CG-CZ 4.47Å; F65-M85 HydrophobicContact CB-CG 4.38Å; F65-M85 HydrophobicContact CD1-CE 4.06Å; F65-M85 HydrophobicContact CD1-CG 4.04Å; F65-M85 HydrophobicContact CD2-CB 3.35Å; F65-M85 HydrophobicContact CD2-CG 3.47Å; F65-M85 VanDerWaalsContact CD2-CG 3.47Å; F65-M85 HydrophobicContact CE1-CE 3.7Å; F65-M85 HydrophobicContact CE1-CG 4.16Å; F65-M85 HydrophobicContact CE1-SD 4.27Å; F65-M85 HydrophobicContact CE2-CB 3.47Å; F65-M85 VanDerWaalsContact CE2-CB 3.47Å; F65-M85 HydrophobicContact CE2-CG 3.58Å; F65-M85 HydrophobicContact CE2-SD 4.1Å; F65-M85 HydrophobicContact CG-CB 4.06Å; F65-M85 HydrophobicContact CG-CG 3.7Å; F65-M85 HydrophobicContact CZ-CB 4.28Å; F65-M85 HydrophobicContact CZ-CE 3.97Å; F65-M85 HydrophobicContact CZ-CG 3.92Å; F65-M85 HydrophobicContact CZ-SD 3.95Å; F65-L92 HydrophobicContact CE2-CD1 4.33Å; F65-L92 HydrophobicContact CZ-CD1 4.48Å; F65-L92 HydrophobicContact CZ-CD2 4.47Å
66K97.9Very high94.3Very high94 Ų9474 Ų7441%0.40938%0.38SS..  trans-105.5146.6162.9-69.7179.9176.9-179.10108.4V49 E69V49-K66 HydrophobicContact CG2-CG 4.3Å; K66-E69 HydrophobicContact CB-CB 4.21Å; K66-E69 HydrophobicContact CB-CG 4.13Å; K66-E69 VanDerWaalsContact CD-OE1 3.27Å; K66-E69 WeakPolarHBondContact CD-OE1 3.23Å; K66-E69 WeakPolarHBondContact CD-OE2 3.4Å; K66-E69 PolarHBondContact O-N 2.63Å
67L97.9Very high94.3Very high46 Ų4674.8 Ų74.824%0.24138%0.381CS..THydrogen-bonded Turntrans-65140.8176.5-66.4175.2000110V2 I50 F65 E69 M85 F87 L92V2-L67 HydrophobicContact CB-CD1 4.33Å; V2-L67 HydrophobicContact CG1-CD1 4.11Å; I50-L67 HydrophobicContact CD1-CD1 4.11Å; I50-L67 HydrophobicContact CD1-CD2 3.84Å; I50-L67 HydrophobicContact CD1-CG 3.62Å; F65-L67 HydrophobicContact CE2-CD2 4.06Å; L67-E69 PolarHBondContact O-N 2.91Å; L67-M85 CarbonylContact C-O 3.56Å; L67-M85 WeakPolarHBondContact CA-O 3.25Å; L67-M85 HydrophobicContact CD2-CB 4.32Å; L67-F87 HydrophobicContact CD1-CB 3.82Å; L67-F87 HydrophobicContact CD2-CB 4.28Å; L67-L92 HydrophobicContact CD2-CD1 3.86Å
68N98.1Very high94.7Very high118 Ų11873.4 Ų73.463%0.63137%0.369SS*.THydrogen-bonded Turntrans65.614.8179.6-43.8-66000114.9M85N68-M85 PolarHBondContact N-O 2.86Å
69E98.3Very high95.4Very high105 Ų10569.6 Ų69.649%0.49135%0.352SS..  trans-115.2126173-65.4-179-150.600109.5K66 L67K66-E69 HydrophobicContact CB-CB 4.21Å; K66-E69 HydrophobicContact CB-CG 4.13Å; K66-E69 VanDerWaalsContact CD-OE1 3.27Å; K66-E69 WeakPolarHBondContact CD-OE1 3.23Å; K66-E69 WeakPolarHBondContact CD-OE2 3.4Å; K66-E69 PolarHBondContact O-N 2.63Å; L67-E69 PolarHBondContact O-N 2.91Å
70E98.3Very high95.9Very high124 Ų12473.5 Ų73.558%0.57937%0.369SS*.EExtended strand (participates in β ladder)trans-76.1140.6176.8-170.7178.784.100110.7K82 T83E70-K82 HydrophobicContact CG-CB 4.18Å; E70-K82 HydrophobicContact CG-CD 4.39Å; E70-T83 WeakPolarHBondContact CA-O 3.39Å
71F98.3Very high96.2Very high39 Ų3970.3 Ų70.317%0.17135%0.349CS..EExtended strand (participates in β ladder)trans-140.7161.8178.368.2-77.8000112A63 F65 E73 T83 M85A63-F71 HydrophobicContact CB-CE2 4.36Å; A63-F71 HydrophobicContact CB-CZ 4.34Å; F65-F71 HydrophobicContact CB-CD1 3.84Å; F65-F71 HydrophobicContact CB-CE1 3.49Å; F65-F71 VanDerWaalsContact CB-CE1 3.49Å; F65-F71 HydrophobicContact CB-CZ 3.92Å; F65-F71 HydrophobicContact CD1-CZ 4.46Å; F65-F71 HydrophobicContact CG-CE1 4.21Å; F65-F71 HydrophobicContact CG-CZ 4.47Å; F71-E73 HydrophobicContact CD2-CB 4.34Å; F71-E73 HydrophobicContact CE2-CB 3.78Å; F71-E73 HydrophobicContact CE2-CG 4.26Å; F71-E73 HydrophobicContact CZ-CB 4.43Å; F71-T83 WeakPolarHBondContact CD1-O 3.48Å; F71-T83 HydrophobicContact CE1-CG2 3.65Å; F71-T83 HydrophobicContact CZ-CG2 3.63Å; F71-T83 PolarHBondContact N-O 3.4Å; F71-T83 PolarHBondContact O-N 3.39Å; F71-M85 HydrophobicContact CE1-CG 4Å; F71-M85 HydrophobicContact CZ-CG 4.49Å
72D97.9Very high96.4Very high120 Ų12072.8 Ų72.864%0.64236%0.357SS*.EExtended strand (participates in β ladder)trans-79.9124.4171.6-70-61.9000110.2K82D72-K82 WeakPolarHBondContact OD1-CD 3.44Å; D72-K82 VanDerWaalsContact OD1-CE 3.23Å; D72-K82 WeakPolarHBondContact OD1-CE 3.33Å; D72-K82 IonicContact OD1-NZ 2.63Å; D72-K82 PolarHBondContact OD1-NZ 2.93Å; D72-K82 IonicContact OD2-NZ 2.72Å; D72-K82 PolarHBondContact OD2-NZ 2.79Å
73E97Very high96.5Very high29 Ų2968.6 Ų68.614%0.13634%0.337CS..EExtended strand (participates in β ladder)trans-118.7135.5177-176.3-176.9-167.900109.9F71 T75 T81 T83 Q94 Q96F71-E73 HydrophobicContact CD2-CB 4.34Å; F71-E73 HydrophobicContact CE2-CB 3.78Å; F71-E73 HydrophobicContact CE2-CG 4.26Å; F71-E73 HydrophobicContact CZ-CB 4.43Å; E73-T75 HydrophobicContact CG-CG2 4.44Å; E73-T81 PolarHBondContact N-O 2.72Å; E73-T81 PolarHBondContact O-N 2.91Å; E73-T81 PolarHBondContact O-OG1 2.97Å; E73-T83 WeakPolarHBondContact CB-OG1 3.35Å; E73-T83 WeakPolarHBondContact OE2-CB 3.05Å; E73-T83 VanDerWaalsContact OE2-CG2 3.23Å; E73-T83 WeakPolarHBondContact OE2-CG2 2.98Å; E73-T83 PolarHBondContact OE2-OG1 3.22Å; E73-Q94 PolarHBondContact OE1-NE2 3.27Å; E73-Q94 PolarHBondContact OE2-NE2 3.4Å; E73-Q96 VanDerWaalsContact CD-NE2 3.35Å; E73-Q96 PolarHBondContact OE1-NE2 2.99Å; E73-Q96 PolarHBondContact OE2-NE2 3.41Å
74M95.3Very high96.6Very high123 Ų12370.9 Ų70.961%0.60635%0.348SS*.EExtended strand (participates in β ladder)trans-100.5112.9163.7-178.6173.8-71.400107.9R79 K80M74-R79 WeakPolarHBondContact CA-O 3.43Å; M74-K80 HydrophobicContact CE-CG 4.48Å
75T93.9Very high96.7Very high6 Ų664.4 Ų64.44%0.03732%0.32CS..  trans-76.5166.8-174.6680000111.8E73 D77 D78 R79 T81E73-T75 HydrophobicContact CG-CG2 4.44Å; T75-D77 VanDerWaalsContact CB-OD1 3.22Å; T75-D77 WeakPolarHBondContact CB-OD1 3.41Å; T75-D77 PolarHBondContact O-N 2.88Å; T75-D77 PolarHBondContact OG1-OD1 2.94Å; T75-D78 PolarHBondContact O-N 3.02Å; T75-R79 HydrophobicContact CG2-CB 4.38Å; T75-R79 PolarHBondContact N-O 2.97Å; T75-R79 WeakPolarHBondContact OG1-CB 3.43Å; T75-R79 PolarHBondContact OG1-N 2.82Å; T75-R79 VanDerWaalsContact OG1-N 3.1Å; T75-R79 PolarHBondContact OG1-O 2.61Å; T75-T81 HydrophobicContact CG2-CG2 3.84Å
76A91.4Very high96.7Very high53 Ų5365.1 Ų65.144%0.43833%0.325SS..THydrogen-bonded Turntrans-61.3-26179.700000113.5K59 T61 D78K59-A76 PolarHBondContact NZ-O 3.42Å; T61-A76 HydrophobicContact CG2-CB 3.86Å; A76-D78 VanDerWaalsContact C-N 3.34Å
77D91.8Very high96.7Very high42 Ų4263.5 Ų63.523%0.22532%0.318CS..THydrogen-bonded Turntrans-9518.9174.462.3-43000113.6V26 T75 R79V26-D77 HydrophobicContact CG2-CB 3.79Å; V26-D77 WeakPolarHBondContact CG2-OD2 3.39Å; T75-D77 VanDerWaalsContact CB-OD1 3.22Å; T75-D77 WeakPolarHBondContact CB-OD1 3.41Å; T75-D77 PolarHBondContact O-N 2.88Å; T75-D77 PolarHBondContact OG1-OD1 2.94Å; D77-R79 VanDerWaalsContact C-N 3.26Å; D77-R79 PolarHBondContact O-N 2.81Å; D77-R79 IonicContact OD1-CZ 3.91Å; D77-R79 IonicContact OD1-NE 3.41Å; D77-R79 PolarHBondContact OD1-NE 3.44Å; D77-R79 IonicContact OD1-NH2 3.5Å; D77-R79 PolarHBondContact OD1-NH2 3.06Å; D77-R79 IonicContact OD2-CZ 2.97Å; D77-R79 IonicContact OD2-NE 3.67Å; D77-R79 PolarHBondContact OD2-NE 2.98Å; D77-R79 IonicContact OD2-NH2 2.79Å; D77-R79 PolarHBondContact OD2-NH2 2.84Å
78D91.9Very high96.5Very high106 Ų10665.9 Ų65.957%0.56733%0.328SS*.  trans65.318.7171.4-53.3-41.4000115.4K59 T75 A76K59-D78 IonicContact NZ-OD1 2.72Å; K59-D78 PolarHBondContact NZ-OD1 2.85Å; K59-D78 IonicContact NZ-OD2 3.77Å; T75-D78 PolarHBondContact O-N 3.02Å; A76-D78 VanDerWaalsContact C-N 3.34Å
79R94.6Very high96.3Very high28 Ų2868 Ų6811%0.10634%0.339CS..  trans-72.5138.7166.4-65.2178.9-74.2117.716.1109.4M74 T75 D77 T81 W98M74-R79 WeakPolarHBondContact CA-O 3.43Å; T75-R79 HydrophobicContact CG2-CB 4.38Å; T75-R79 PolarHBondContact N-O 2.97Å; T75-R79 WeakPolarHBondContact OG1-CB 3.43Å; T75-R79 PolarHBondContact OG1-N 2.82Å; T75-R79 VanDerWaalsContact OG1-N 3.1Å; T75-R79 PolarHBondContact OG1-O 2.61Å; D77-R79 VanDerWaalsContact C-N 3.26Å; D77-R79 PolarHBondContact O-N 2.81Å; D77-R79 IonicContact OD1-CZ 3.91Å; D77-R79 IonicContact OD1-NE 3.41Å; D77-R79 PolarHBondContact OD1-NE 3.44Å; D77-R79 IonicContact OD1-NH2 3.5Å; D77-R79 PolarHBondContact OD1-NH2 3.06Å; D77-R79 IonicContact OD2-CZ 2.97Å; D77-R79 IonicContact OD2-NE 3.67Å; D77-R79 PolarHBondContact OD2-NE 2.98Å; D77-R79 IonicContact OD2-NH2 2.79Å; D77-R79 PolarHBondContact OD2-NH2 2.84Å; R79-T81 HydrophobicContact CB-CG2 4.06Å; R79-W98 VanDerWaalsContact NH1-CH2 3.31Å
80K96.7Very high96.2Very high168 Ų16865 Ų6573%0.7334%0.337SS*.EExtended strand (participates in β ladder)trans-93.2114.3167.7-64.3179.8-177.2178.20107.7M74M74-K80 HydrophobicContact CE-CG 4.48Å
81T98.1Very high96.2Very high3 Ų361.5 Ų61.52%0.01832%0.32CS..EExtended strand (participates in β ladder)trans-121148.9-174.760.60000110.7E73 T75 R79 T83 Q96 T97 W98E73-T81 PolarHBondContact N-O 2.72Å; E73-T81 PolarHBondContact O-N 2.91Å; E73-T81 PolarHBondContact O-OG1 2.97Å; T75-T81 HydrophobicContact CG2-CG2 3.84Å; R79-T81 HydrophobicContact CB-CG2 4.06Å; T81-T83 PolarHBondContact OG1-OG1 3.17Å; T81-Q96 HydrophobicContact CG2-CB 4.06Å; T81-T97 WeakPolarHBondContact CA-O 3.23Å; T81-W98 HydrophobicContact CG2-CB 4.07Å; T81-W98 HydrophobicContact CG2-CD2 4.39Å; T81-W98 HydrophobicContact CG2-CE3 4.11Å; T81-W98 HydrophobicContact CG2-CG 4.39Å
82K98.4Very high96.2Very high88 Ų8859.6 Ų59.638%0.38331%0.312SS..EExtended strand (participates in β ladder)trans-82.4121.8153.9-71.6-61.7-171.2-170.90107.9E70 D72 T97E70-K82 HydrophobicContact CG-CB 4.18Å; E70-K82 HydrophobicContact CG-CD 4.39Å; D72-K82 WeakPolarHBondContact OD1-CD 3.44Å; D72-K82 VanDerWaalsContact OD1-CE 3.23Å; D72-K82 WeakPolarHBondContact OD1-CE 3.33Å; D72-K82 IonicContact OD1-NZ 2.63Å; D72-K82 PolarHBondContact OD1-NZ 2.93Å; D72-K82 IonicContact OD2-NZ 2.72Å; D72-K82 PolarHBondContact OD2-NZ 2.79Å; K82-T97 PolarHBondContact N-O 2.72Å; K82-T97 PolarHBondContact O-N 3.04Å
83T98.7Very high96.2Very high0 Ų054.8 Ų54.80%029%0.286CS..EExtended strand (participates in β ladder)trans-119.9132.2-174.7-62.20000110.7E70 F71 E73 T81 Q94 K95 Q96E70-T83 WeakPolarHBondContact CA-O 3.39Å; F71-T83 WeakPolarHBondContact CD1-O 3.48Å; F71-T83 HydrophobicContact CE1-CG2 3.65Å; F71-T83 HydrophobicContact CZ-CG2 3.63Å; F71-T83 PolarHBondContact N-O 3.4Å; F71-T83 PolarHBondContact O-N 3.39Å; E73-T83 WeakPolarHBondContact CB-OG1 3.35Å; E73-T83 WeakPolarHBondContact OE2-CB 3.05Å; E73-T83 VanDerWaalsContact OE2-CG2 3.23Å; E73-T83 WeakPolarHBondContact OE2-CG2 2.98Å; E73-T83 PolarHBondContact OE2-OG1 3.22Å; T81-T83 PolarHBondContact OG1-OG1 3.17Å; T83-Q94 HydrophobicContact CG2-CG 3.79Å; T83-K95 VanDerWaalsContact CA-O 3.31Å; T83-K95 WeakPolarHBondContact CA-O 3.49Å; T83-Q96 HydrophobicContact CG2-CG 4.25Å
84L98.7Very high96.3Very high54 Ų5453.5 Ų53.528%0.28328%0.28SS..EExtended strand (participates in β ladder)trans-116.6130.1171.3-179.365.7000109.4T86 K95L84-T86 HydrophobicContact CD2-CG2 4.09Å; L84-T86 HydrophobicContact CG-CG2 4.04Å; L84-K95 PolarHBondContact N-O 2.76Å; L84-K95 PolarHBondContact O-N 3.33Å
85M98.5Very high96.4Very high0 Ų052.6 Ų52.60%027%0.273CS..EExtended strand (participates in β ladder)trans-109.6120.4174.4-70.8-80.5-16200109.6M52 F65 L67 N68 F71 L92 V93 Q94M52-M85 HydrophobicContact CE-CE 3.82Å; F65-M85 HydrophobicContact CB-CG 4.38Å; F65-M85 HydrophobicContact CD1-CE 4.06Å; F65-M85 HydrophobicContact CD1-CG 4.04Å; F65-M85 HydrophobicContact CD2-CB 3.35Å; F65-M85 HydrophobicContact CD2-CG 3.47Å; F65-M85 VanDerWaalsContact CD2-CG 3.47Å; F65-M85 HydrophobicContact CE1-CE 3.7Å; F65-M85 HydrophobicContact CE1-CG 4.16Å; F65-M85 HydrophobicContact CE1-SD 4.27Å; F65-M85 HydrophobicContact CE2-CB 3.47Å; F65-M85 VanDerWaalsContact CE2-CB 3.47Å; F65-M85 HydrophobicContact CE2-CG 3.58Å; F65-M85 HydrophobicContact CE2-SD 4.1Å; F65-M85 HydrophobicContact CG-CB 4.06Å; F65-M85 HydrophobicContact CG-CG 3.7Å; F65-M85 HydrophobicContact CZ-CB 4.28Å; F65-M85 HydrophobicContact CZ-CE 3.97Å; F65-M85 HydrophobicContact CZ-CG 3.92Å; F65-M85 HydrophobicContact CZ-SD 3.95Å; L67-M85 CarbonylContact C-O 3.56Å; L67-M85 WeakPolarHBondContact CA-O 3.25Å; L67-M85 HydrophobicContact CD2-CB 4.32Å; N68-M85 PolarHBondContact N-O 2.86Å; F71-M85 HydrophobicContact CE1-CG 4Å; F71-M85 HydrophobicContact CZ-CG 4.49Å; M85-L92 HydrophobicContact SD-CD1 4.44Å; M85-V93 CarbonylContact C-O 3.6Å; M85-V93 WeakPolarHBondContact CA-O 3.33Å; M85-Q94 HydrophobicContact CE-CB 3.87Å; M85-Q94 HydrophobicContact CE-CG 3.49Å; M85-Q94 VanDerWaalsContact CE-CG 3.49Å; M85-Q94 HydrophobicContact SD-CB 3.44Å; M85-Q94 WeakPolarHBondContact SD-CB 3.31Å; M85-Q94 HydrophobicContact SD-CG 3.63Å
86T98.4Very high96.7Very high21 Ų2152.7 Ų52.713%0.12927%0.273CS..EExtended strand (participates in β ladder)trans-120.8155.2176.656.10000110.4L84 E88 V93L84-T86 HydrophobicContact CD2-CG2 4.09Å; L84-T86 HydrophobicContact CG-CG2 4.04Å; T86-E88 WeakPolarHBondContact CB-OE1 3.43Å; T86-E88 PolarHBondContact OG1-OE1 3.35Å; T86-V93 PolarHBondContact N-O 3.32Å; T86-V93 PolarHBondContact O-N 3.45Å
87F97.7Very high97Very high60 Ų6052.6 Ų52.626%0.26327%0.267SS..EExtended strand (participates in β ladder)trans-120.3108.7171.2-172.9-98.2000109.1V2 F5 L67 K91 L92V2-F87 HydrophobicContact CB-CD2 4.14Å; V2-F87 HydrophobicContact CB-CG 4.41Å; V2-F87 HydrophobicContact CG2-CD2 4.45Å; F5-F87 AromaticContact CE2-CE2 3.82Å; F5-F87 HydrophobicContact CE2-CE2 3.82Å; L67-F87 HydrophobicContact CD1-CB 3.82Å; L67-F87 HydrophobicContact CD2-CB 4.28Å; F87-K91 CarbonylContact C-O 3.57Å; F87-K91 WeakPolarHBondContact CA-O 3.45Å; F87-K91 VanDerWaalsContact CD2-O 3.3Å; F87-K91 WeakPolarHBondContact CD2-O 3.42Å; F87-L92 HydrophobicContact CD2-CB 4.36Å
88E95Very high97.3Very high97 Ų9751.7 Ų51.745%0.45326%0.26SS..EExtended strand (participates in β ladder)trans-143.3135.2-171.147.4-170.2136.600110.5T86 G90 K91 V93T86-E88 WeakPolarHBondContact CB-OE1 3.43Å; T86-E88 PolarHBondContact OG1-OE1 3.35Å; E88-G90 PolarHBondContact O-N 3.5Å; E88-G90 VanDerWaalsContact O-N 3.11Å; E88-K91 PolarHBondContact N-O 3.28Å; E88-K91 PolarHBondContact O-N 2.89Å; E88-V93 HydrophobicContact CG-CG2 3.85Å
89N94.1Very high97.5Very high161 Ų16154 Ų5486%0.86127%0.273SS*.THydrogen-bonded Turntrans51.735.7-179.2-56-42.5000114.4K91N89-K91 VanDerWaalsContact C-N 3.28Å; N89-K91 PolarHBondContact O-N 3.08Å
90G95.1Very high97.6Very high44 Ų4456.5 Ų56.545%0.45431%0.308SS..THydrogen-bonded Turntrans820.7-179.600000114.9E88E88-G90 PolarHBondContact O-N 3.5Å; E88-G90 VanDerWaalsContact O-N 3.11Å
91K97.9Very high97.6Very high49 Ų4953.1 Ų53.121%0.21329%0.293CS..EExtended strand (participates in β ladder)trans-107.7141-179.7-47.5-159.7-175.7-161.10111.4F87 E88 N89 V93 E106 R107 E108F87-K91 CarbonylContact C-O 3.57Å; F87-K91 WeakPolarHBondContact CA-O 3.45Å; F87-K91 VanDerWaalsContact CD2-O 3.3Å; F87-K91 WeakPolarHBondContact CD2-O 3.42Å; E88-K91 PolarHBondContact N-O 3.28Å; E88-K91 PolarHBondContact O-N 2.89Å; N89-K91 VanDerWaalsContact C-N 3.28Å; N89-K91 PolarHBondContact O-N 3.08Å; K91-V93 HydrophobicContact CB-CG2 4.15Å; K91-E106 HydrophobicContact CD-CB 4.42Å; K91-E106 IonicContact NZ-OE2 2.8Å; K91-E106 PolarHBondContact NZ-OE2 3.43Å; K91-R107 CarbonylContact C-O 3.54Å; K91-R107 VanDerWaalsContact CA-O 3.31Å; K91-R107 WeakPolarHBondContact CA-O 3.28Å; K91-E108 HydrophobicContact CD-CB 4.19Å; K91-E108 WeakPolarHBondContact CE-OE1 3.36Å; K91-E108 WeakPolarHBondContact CE-OE2 3.3Å; K91-E108 HydrophobicContact CG-CB 3.96Å; K91-E108 IonicContact NZ-OE1 3.35Å; K91-E108 PolarHBondContact NZ-OE1 3.27Å; K91-E108 IonicContact NZ-OE2 2.83Å; K91-E108 PolarHBondContact NZ-OE2 2.83Å
92L98.4Very high97.6Very high0 Ų055.5 Ų55.50%031%0.307CS..EExtended strand (participates in β ladder)trans-87.1112.8163.4177.666.8000108V2 F5 F43 F65 L67 M85 F87 R107V2-L92 HydrophobicContact CG2-CD1 4.26Å; F5-L92 HydrophobicContact CZ-CB 4.34Å; F43-L92 HydrophobicContact CE1-CD2 3.84Å; F65-L92 HydrophobicContact CE2-CD1 4.33Å; F65-L92 HydrophobicContact CZ-CD1 4.48Å; F65-L92 HydrophobicContact CZ-CD2 4.47Å; L67-L92 HydrophobicContact CD2-CD1 3.86Å; M85-L92 HydrophobicContact SD-CD1 4.44Å; F87-L92 HydrophobicContact CD2-CB 4.36Å; L92-R107 HydrophobicContact CB-CB 4.38Å; L92-R107 PolarHBondContact N-O 2.94Å; L92-R107 PolarHBondContact O-N 2.94Å
93V98.6Very high97.6Very high19 Ų1951.3 Ų51.312%0.11529%0.289CS..EExtended strand (participates in β ladder)trans-106.6123.9-176.9-175.20000109.1M85 T86 E88 K91 T104 E106M85-V93 CarbonylContact C-O 3.6Å; M85-V93 WeakPolarHBondContact CA-O 3.33Å; T86-V93 PolarHBondContact N-O 3.32Å; T86-V93 PolarHBondContact O-N 3.45Å; E88-V93 HydrophobicContact CG-CG2 3.85Å; K91-V93 HydrophobicContact CB-CG2 4.15Å; V93-T104 HydrophobicContact CG1-CG2 3.64Å; V93-E106 HydrophobicContact CG1-CG 4.37Å; V93-E106 HydrophobicContact CG2-CG 4.28Å
94Q98.6Very high97.6Very high2 Ų253 Ų531%0.00930%0.3CS..EExtended strand (participates in β ladder)trans-109.7113.9175.9-178.7176.75.500108.7E73 T83 M85 Q96 T104 L105 R107E73-Q94 PolarHBondContact OE1-NE2 3.27Å; E73-Q94 PolarHBondContact OE2-NE2 3.4Å; T83-Q94 HydrophobicContact CG2-CG 3.79Å; M85-Q94 HydrophobicContact CE-CB 3.87Å; M85-Q94 HydrophobicContact CE-CG 3.49Å; M85-Q94 VanDerWaalsContact CE-CG 3.49Å; M85-Q94 HydrophobicContact SD-CB 3.44Å; M85-Q94 WeakPolarHBondContact SD-CB 3.31Å; M85-Q94 HydrophobicContact SD-CG 3.63Å; Q94-Q96 HydrophobicContact CG-CG 4.22Å; Q94-Q96 VanDerWaalsContact NE2-NE2 3.17Å; Q94-T104 CarbonylContact O-C 3.57Å; Q94-T104 WeakPolarHBondContact O-CA 3.48Å; Q94-L105 HydrophobicContact CB-CB 4.19Å; Q94-L105 PolarHBondContact N-O 3.1Å; Q94-L105 PolarHBondContact O-N 2.94Å; Q94-R107 VanDerWaalsContact OE1-NH2 3.07Å
95K98.6Very high97.6Very high104 Ų10451.6 Ų51.645%0.45229%0.292SS..EExtended strand (participates in β ladder)trans-105.7119.4174.9-172.9179.6-175.4-177.10109.3T83 L84 T102T83-K95 VanDerWaalsContact CA-O 3.31Å; T83-K95 WeakPolarHBondContact CA-O 3.49Å; L84-K95 PolarHBondContact N-O 2.76Å; L84-K95 PolarHBondContact O-N 3.33Å; K95-T102 HydrophobicContact CD-CG2 4.19Å; K95-T102 VanDerWaalsContact CE-CG2 3.42Å; K95-T102 HydrophobicContact CG-CG2 3.67Å
96Q98.7Very high97.6Very high8 Ų853.8 Ų53.84%0.03730%0.303CS..EExtended strand (participates in β ladder)trans-110.6131.3177.4-57.8-179.2-32.900109.8E73 T81 T83 Q94 T102 T103E73-Q96 VanDerWaalsContact CD-NE2 3.35Å; E73-Q96 PolarHBondContact OE1-NE2 2.99Å; E73-Q96 PolarHBondContact OE2-NE2 3.41Å; T81-Q96 HydrophobicContact CG2-CB 4.06Å; T83-Q96 HydrophobicContact CG2-CG 4.25Å; Q94-Q96 HydrophobicContact CG-CG 4.22Å; Q94-Q96 VanDerWaalsContact NE2-NE2 3.17Å; Q96-T102 VanDerWaalsContact O-CA 3.28Å; Q96-T102 WeakPolarHBondContact O-CA 3.49Å; Q96-T103 HydrophobicContact CB-CG2 3.87Å; Q96-T103 HydrophobicContact CG-CG2 4.36Å; Q96-T103 PolarHBondContact N-O 3.29Å; Q96-T103 PolarHBondContact O-N 3.27Å
97T98.4Very high97.6Very high50 Ų5053.4 Ų53.431%0.30730%0.299SS..EExtended strand (participates in β ladder)trans-124.4132.3178.5-51.20000110.8T81 K82 K101 T102T81-T97 WeakPolarHBondContact CA-O 3.23Å; K82-T97 PolarHBondContact N-O 2.72Å; K82-T97 PolarHBondContact O-N 3.04Å; T97-K101 VanDerWaalsContact CA-O 3.25Å; T97-K101 WeakPolarHBondContact CA-O 3.01Å; T97-K101 WeakPolarHBondContact CG2-O 3.47Å; T97-T102 PolarHBondContact OG1-OG1 3.09Å
98W98.1Very high97.6Very high23 Ų2353.2 Ų53.29%0.08730%0.299CS..EExtended strand (participates in β ladder)trans-153.3141.9176.272104.7000109.9I24 R79 T81 G100 K101 T103 M120I24-W98 HydrophobicContact CB-CH2 4.19Å; I24-W98 HydrophobicContact CB-CZ2 4.17Å; I24-W98 HydrophobicContact CG2-CH2 4.16Å; R79-W98 VanDerWaalsContact NH1-CH2 3.31Å; T81-W98 HydrophobicContact CG2-CB 4.07Å; T81-W98 HydrophobicContact CG2-CD2 4.39Å; T81-W98 HydrophobicContact CG2-CE3 4.11Å; T81-W98 HydrophobicContact CG2-CG 4.39Å; W98-G100 PolarHBondContact O-N 3.45Å; W98-K101 HydrophobicContact CD2-CB 4.19Å; W98-K101 HydrophobicContact CE3-CB 4.37Å; W98-K101 HydrophobicContact CH2-CB 4.16Å; W98-K101 HydrophobicContact CZ2-CB 4Å; W98-K101 HydrophobicContact CZ2-CD 4.05Å; W98-K101 HydrophobicContact CZ3-CB 4.31Å; W98-K101 PolarHBondContact N-O 3.08Å; W98-K101 WeakPolarHBondContact O-CA 3.36Å; W98-K101 WeakPolarHBondContact O-CB 2.97Å; W98-K101 PolarHBondContact O-N 2.55Å; W98-T103 HydrophobicContact CH2-CG2 4.05Å; W98-T103 HydrophobicContact CZ3-CG2 3.71Å; W98-M120 HydrophobicContact CH2-CE 4.35Å; W98-M120 HydrophobicContact CH2-SD 3.93Å
99D95.9Very high97.7Very high154 Ų15451.7 Ų51.782%0.82429%0.293SS*.THydrogen-bonded Turntrans46.737.8174.6-55.7-28.2000114.7K101D99-K101 VanDerWaalsContact C-N 3.25Å; D99-K101 PolarHBondContact O-N 2.79Å
100G96.1Very high97.8Very high82 Ų8248.9 Ų48.985%0.84528%0.275SS*.THydrogen-bonded Turntrans75.52.1-177.300000115.8W98W98-G100 PolarHBondContact O-N 3.45Å
101K97.5Very high97.8Very high97 Ų9753.9 Ų53.942%0.42229%0.291SS..EExtended strand (participates in β ladder)trans-98.3154.6175.9-62.4-177.9-179.7-175.90111.6T97 W98 D99 M120T97-K101 VanDerWaalsContact CA-O 3.25Å; T97-K101 WeakPolarHBondContact CA-O 3.01Å; T97-K101 WeakPolarHBondContact CG2-O 3.47Å; W98-K101 HydrophobicContact CD2-CB 4.19Å; W98-K101 HydrophobicContact CE3-CB 4.37Å; W98-K101 HydrophobicContact CH2-CB 4.16Å; W98-K101 HydrophobicContact CZ2-CB 4Å; W98-K101 HydrophobicContact CZ2-CD 4.05Å; W98-K101 HydrophobicContact CZ3-CB 4.31Å; W98-K101 PolarHBondContact N-O 3.08Å; W98-K101 WeakPolarHBondContact O-CA 3.36Å; W98-K101 WeakPolarHBondContact O-CB 2.97Å; W98-K101 PolarHBondContact O-N 2.55Å; D99-K101 VanDerWaalsContact C-N 3.25Å; D99-K101 PolarHBondContact O-N 2.79Å; K101-M120 HydrophobicContact CB-CE 4.13Å; K101-M120 HydrophobicContact CD-CE 4.19Å; K101-M120 HydrophobicContact CG-CE 4.4Å
102T98.2Very high97.5Very high52 Ų5254.4 Ų54.432%0.31931%0.311SS..EExtended strand (participates in β ladder)trans-138.9131.5176.2-63.10000111.2K95 Q96 T97K95-T102 HydrophobicContact CD-CG2 4.19Å; K95-T102 VanDerWaalsContact CE-CG2 3.42Å; K95-T102 HydrophobicContact CG-CG2 3.67Å; Q96-T102 VanDerWaalsContact O-CA 3.28Å; Q96-T102 WeakPolarHBondContact O-CA 3.49Å; T97-T102 PolarHBondContact OG1-OG1 3.09Å
103T98.7Very high97.5Very high1 Ų158.1 Ų58.11%0.00633%0.327CS..EExtended strand (participates in β ladder)trans-116.6150.8167-174.90000109.8Y20 Q96 W98 L105 V119Y20-T103 WeakPolarHBondContact CE2-OG1 3.42Å; Y20-T103 PolarHBondContact OH-OG1 2.89Å; Q96-T103 HydrophobicContact CB-CG2 3.87Å; Q96-T103 HydrophobicContact CG-CG2 4.36Å; Q96-T103 PolarHBondContact N-O 3.29Å; Q96-T103 PolarHBondContact O-N 3.27Å; W98-T103 HydrophobicContact CH2-CG2 4.05Å; W98-T103 HydrophobicContact CZ3-CG2 3.71Å; T103-L105 HydrophobicContact CG2-CD1 4.11Å; T103-V119 WeakPolarHBondContact CA-O 3.35Å; T103-V119 PolarHBondContact OG1-O 3.12Å
104T98.6Very high97.5Very high36 Ų3657.2 Ų57.222%0.22132%0.322CS..EExtended strand (participates in β ladder)trans-122.1133.1177-520000110.1V93 Q94 E106 V119V93-T104 HydrophobicContact CG1-CG2 3.64Å; Q94-T104 CarbonylContact O-C 3.57Å; Q94-T104 WeakPolarHBondContact O-CA 3.48Å; T104-E106 HydrophobicContact CG2-CG 4.18Å; T104-V119 PolarHBondContact N-O 3.39Å; T104-V119 PolarHBondContact O-N 3.38Å
105L98.5Very high97.5Very high23 Ų2358.5 Ų58.512%0.1233%0.328CS..EExtended strand (participates in β ladder)trans-118.1113.1170.4-59.582000108.5Q94 T103 K117 C118Q94-L105 HydrophobicContact CB-CB 4.19Å; Q94-L105 PolarHBondContact N-O 3.1Å; Q94-L105 PolarHBondContact O-N 2.94Å; T103-L105 HydrophobicContact CG2-CD1 4.11Å; L105-K117 CarbonylContact C-O 3.56Å; L105-K117 WeakPolarHBondContact CA-O 3.42Å; L105-C118 HydrophobicContact CG-CB 4.39Å
106E98.4Very high97.5Very high46 Ų4653.7 Ų53.722%0.21531%0.308CS..EExtended strand (participates in β ladder)trans-98.3134.7175.1-61.6176.2-159.700109.3K91 V93 T104 A116 K117K91-E106 HydrophobicContact CD-CB 4.42Å; K91-E106 IonicContact NZ-OE2 2.8Å; K91-E106 PolarHBondContact NZ-OE2 3.43Å; V93-E106 HydrophobicContact CG1-CG 4.37Å; V93-E106 HydrophobicContact CG2-CG 4.28Å; T104-E106 HydrophobicContact CG2-CG 4.18Å; E106-A116 CarbonylContact O-C 3.51Å; E106-A116 VanDerWaalsContact O-CA 3.28Å; E106-A116 WeakPolarHBondContact O-CA 3.35Å; E106-K117 HydrophobicContact CB-CB 4.43Å; E106-K117 PolarHBondContact N-O 3.47Å; E106-K117 PolarHBondContact O-N 2.9Å
107R98.5Very high97.5Very high14 Ų1456.8 Ų56.85%0.05332%0.321CS..EExtended strand (participates in β ladder)trans-122.6125.8173-60.5178.2-175.480.4-3109.4F5 K91 L92 Q94 L114 I115 A116F5-R107 HydrophobicContact CE1-CB 3.86Å; F5-R107 VanDerWaalsContact CZ-O 3.3Å; F5-R107 WeakPolarHBondContact CZ-O 3.26Å; K91-R107 CarbonylContact C-O 3.54Å; K91-R107 VanDerWaalsContact CA-O 3.31Å; K91-R107 WeakPolarHBondContact CA-O 3.28Å; L92-R107 HydrophobicContact CB-CB 4.38Å; L92-R107 PolarHBondContact N-O 2.94Å; L92-R107 PolarHBondContact O-N 2.94Å; Q94-R107 VanDerWaalsContact OE1-NH2 3.07Å; R107-L114 HydrophobicContact CB-CD2 4.3Å; R107-L114 HydrophobicContact CG-CD2 4.32Å; R107-I115 WeakPolarHBondContact CA-O 3.42Å; R107-A116 HydrophobicContact CG-CB 4.04Å
108E98Very high97.5Very high55 Ų5554.6 Ų54.626%0.25731%0.308SS..EExtended strand (participates in β ladder)trans-132.5154.8176.869-169.8124.400111.4K91 L114 I115K91-E108 HydrophobicContact CD-CB 4.19Å; K91-E108 WeakPolarHBondContact CE-OE1 3.36Å; K91-E108 WeakPolarHBondContact CE-OE2 3.3Å; K91-E108 HydrophobicContact CG-CB 3.96Å; K91-E108 IonicContact NZ-OE1 3.35Å; K91-E108 PolarHBondContact NZ-OE1 3.27Å; K91-E108 IonicContact NZ-OE2 2.83Å; K91-E108 PolarHBondContact NZ-OE2 2.83Å; E108-L114 WeakPolarHBondContact O-CA 3.3Å; E108-I115 HydrophobicContact CG-CB 4.27Å; E108-I115 PolarHBondContact N-O 3.26Å; E108-I115 PolarHBondContact O-N 3.02Å
109L97.8Very high97.5Very high65 Ų6555.1 Ų55.134%0.3431%0.314SS..EExtended strand (participates in β ladder)trans-98.8119.6174.5-59.7-177.8000109A4 F5 W9 K113 L114A4-L109 HydrophobicContact CB-CD1 3.64Å; A4-L109 WeakPolarHBondContact O-CD1 3.34Å; F5-L109 HydrophobicContact CD1-CD2 4.1Å; F5-L109 HydrophobicContact CD1-CG 4.37Å; F5-L109 HydrophobicContact CD2-CD1 4.49Å; F5-L109 HydrophobicContact CE1-CD2 3.95Å; F5-L109 HydrophobicContact CE1-CG 4Å; F5-L109 HydrophobicContact CE2-CD1 4.44Å; F5-L109 HydrophobicContact CE2-CG 4.23Å; F5-L109 HydrophobicContact CZ-CD2 4.4Å; F5-L109 HydrophobicContact CZ-CG 3.94Å; W9-L109 HydrophobicContact CH2-CD2 3.49Å; W9-L109 VanDerWaalsContact CH2-CD2 3.49Å; W9-L109 HydrophobicContact CZ2-CD2 3.68Å; W9-L109 HydrophobicContact CZ3-CD2 4.18Å; L109-K113 CarbonylContact C-O 3.56Å; L109-K113 VanDerWaalsContact CA-O 3.26Å; L109-K113 WeakPolarHBondContact CA-O 3.28Å; L109-L114 HydrophobicContact CD2-CB 3.78Å; L109-L114 HydrophobicContact CD2-CD1 4.44Å; L109-L114 HydrophobicContact CD2-CG 4.12Å
110Q95.6Very high97.6Very high103 Ų10348 Ų4848%0.48128%0.276SS..EExtended strand (participates in β ladder)trans-133.1125.2179.5-176.2178.7-1.900109.1G112 K113 I115Q110-G112 PolarHBondContact O-N 3.35Å; Q110-G112 VanDerWaalsContact O-N 3.12Å; Q110-K113 PolarHBondContact N-O 3.18Å; Q110-K113 WeakPolarHBondContact O-CA 3.22Å; Q110-K113 WeakPolarHBondContact O-CB 3.18Å; Q110-K113 PolarHBondContact O-N 3.02Å; Q110-I115 HydrophobicContact CB-CG1 4.13Å
111D93.8Very high97.6Very high148 Ų14850.3 Ų50.379%0.79127%0.269SS*.THydrogen-bonded Turntrans51.139.2176.3-54.7-41.9000113.8K113D111-K113 VanDerWaalsContact C-N 3.27Å; D111-K113 PolarHBondContact O-N 3.46Å
112G93.3Very high97.6Very high61 Ų6152.6 Ų52.663%0.62929%0.286SS*.THydrogen-bonded Turntrans77.83.9-178.900000115.2Q110Q110-G112 PolarHBondContact O-N 3.35Å; Q110-G112 VanDerWaalsContact O-N 3.12Å
113K97.5Very high97.6Very high78 Ų7851.4 Ų51.434%0.33928%0.278SS..EExtended strand (participates in β ladder)trans-107.4153.5176.8-54.8-166.7-175.2-151.30110.8L109 Q110 D111 I115 T128 Y129 E130L109-K113 CarbonylContact C-O 3.56Å; L109-K113 VanDerWaalsContact CA-O 3.26Å; L109-K113 WeakPolarHBondContact CA-O 3.28Å; Q110-K113 PolarHBondContact N-O 3.18Å; Q110-K113 WeakPolarHBondContact O-CA 3.22Å; Q110-K113 WeakPolarHBondContact O-CB 3.18Å; Q110-K113 PolarHBondContact O-N 3.02Å; D111-K113 VanDerWaalsContact C-N 3.27Å; D111-K113 PolarHBondContact O-N 3.46Å; K113-I115 HydrophobicContact CB-CD1 4.15Å; K113-T128 HydrophobicContact CB-CG2 4.26Å; K113-T128 HydrophobicContact CD-CG2 3.79Å; K113-Y129 WeakPolarHBondContact CA-O 3.46Å; K113-Y129 WeakPolarHBondContact CB-O 3.39Å; K113-E130 HydrophobicContact CD-CG 4.26Å; K113-E130 WeakPolarHBondContact CE-OE1 3.41Å; K113-E130 HydrophobicContact CG-CG 4.3Å; K113-E130 IonicContact NZ-OE1 3.22Å; K113-E130 PolarHBondContact NZ-OE1 2.86Å
114L98.4Very high97.6Very high0 Ų054.1 Ų54.10%029%0.294CS..EExtended strand (participates in β ladder)trans-96.6118.6167.7-177.2165.6000108.1F5 W9 L41 F43 R107 E108 L109 A116 Y129F5-L114 HydrophobicContact CD1-CD1 3.79Å; F5-L114 HydrophobicContact CD1-CG 4.36Å; F5-L114 HydrophobicContact CE1-CD1 4.23Å; F5-L114 HydrophobicContact CE1-CG 4.3Å; W9-L114 HydrophobicContact CB-CD1 4.47Å; W9-L114 HydrophobicContact CD2-CB 3.79Å; W9-L114 HydrophobicContact CD2-CD1 3.87Å; W9-L114 HydrophobicContact CE3-CB 3.51Å; W9-L114 HydrophobicContact CE3-CD1 4.47Å; W9-L114 HydrophobicContact CG-CB 4.37Å; W9-L114 HydrophobicContact CG-CD1 3.85Å; W9-L114 HydrophobicContact CH2-CB 4.34Å; W9-L114 HydrophobicContact CZ3-CB 3.82Å; L41-L114 HydrophobicContact CD1-CD2 4.29Å; F43-L114 HydrophobicContact CE2-CD1 3.77Å; F43-L114 HydrophobicContact CZ-CD1 4.37Å; R107-L114 HydrophobicContact CB-CD2 4.3Å; R107-L114 HydrophobicContact CG-CD2 4.32Å; E108-L114 WeakPolarHBondContact O-CA 3.3Å; L109-L114 HydrophobicContact CD2-CB 3.78Å; L109-L114 HydrophobicContact CD2-CD1 4.44Å; L109-L114 HydrophobicContact CD2-CG 4.12Å; L114-A116 HydrophobicContact CD2-CB 4.19Å; L114-Y129 HydrophobicContact CD2-CD2 3.69Å; L114-Y129 HydrophobicContact CD2-CE2 4.16Å; L114-Y129 HydrophobicContact CD2-CG 4.36Å; L114-Y129 PolarHBondContact N-O 3.19Å; L114-Y129 PolarHBondContact O-N 2.8Å
115I98.4Very high97.6Very high28 Ų2852.4 Ų52.414%0.14428%0.284CS..EExtended strand (participates in β ladder)trans-102.4119.6175.8-49.6-55.3000107.8R107 E108 Q110 K113 L126 T128R107-I115 WeakPolarHBondContact CA-O 3.42Å; E108-I115 HydrophobicContact CG-CB 4.27Å; E108-I115 PolarHBondContact N-O 3.26Å; E108-I115 PolarHBondContact O-N 3.02Å; Q110-I115 HydrophobicContact CB-CG1 4.13Å; K113-I115 HydrophobicContact CB-CD1 4.15Å; I115-L126 HydrophobicContact CG2-CD2 4.45Å; I115-T128 HydrophobicContact CD1-CG2 3.71Å
116A98.4Very high97.6Very high4 Ų454.3 Ų54.33%0.03329%0.294CS..EExtended strand (participates in β ladder)trans-107.2116.817500000109.9E106 R107 L114 L126 R127 Y129E106-A116 CarbonylContact O-C 3.51Å; E106-A116 VanDerWaalsContact O-CA 3.28Å; E106-A116 WeakPolarHBondContact O-CA 3.35Å; R107-A116 HydrophobicContact CG-CB 4.04Å; L114-A116 HydrophobicContact CD2-CB 4.19Å; A116-L126 CarbonylContact O-C 3.58Å; A116-L126 WeakPolarHBondContact O-CA 3.35Å; A116-R127 HydrophobicContact CB-CB 4.37Å; A116-R127 PolarHBondContact N-O 2.95Å; A116-R127 PolarHBondContact O-N 3.23Å; A116-Y129 HydrophobicContact CB-CE2 3.91Å
117K98.6Very high97.5Very high72 Ų7252.7 Ų52.731%0.31329%0.286SS..EExtended strand (participates in β ladder)trans-103.8117.3176.2-175.9-176.1-178.8-173.40109.6L105 E106 V119 V124 A125 L126L105-K117 CarbonylContact C-O 3.56Å; L105-K117 WeakPolarHBondContact CA-O 3.42Å; E106-K117 HydrophobicContact CB-CB 4.43Å; E106-K117 PolarHBondContact N-O 3.47Å; E106-K117 PolarHBondContact O-N 2.9Å; K117-V119 HydrophobicContact CD-CG2 4.18Å; K117-V119 HydrophobicContact CG-CG2 3.91Å; K117-V124 HydrophobicContact CD-CG1 4.29Å; K117-V124 HydrophobicContact CG-CG1 3.84Å; K117-A125 WeakPolarHBondContact CA-O 3.48Å; K117-L126 HydrophobicContact CB-CD2 3.76Å; K117-L126 HydrophobicContact CD-CD2 4.43Å; K117-L126 HydrophobicContact CG-CD2 3.76Å
118C98.5Very high97.5Very high5 Ų553 Ų533%0.03429%0.289CS..EExtended strand (participates in β ladder)trans-102.4128.1176.9-52.50000109.3Y20 L105 V124 A125Y20-C118 HydrophobicContact CD1-CB 3.97Å; Y20-C118 HydrophobicContact CD2-CB 3.68Å; Y20-C118 HydrophobicContact CE1-CB 3.83Å; Y20-C118 HydrophobicContact CE2-CB 3.54Å; Y20-C118 HydrophobicContact CG-CB 3.9Å; L105-C118 HydrophobicContact CG-CB 4.39Å; C118-V124 WeakPolarHBondContact O-CA 3.45Å; C118-A125 HydrophobicContact CB-CB 4.32Å; C118-A125 PolarHBondContact N-O 3.42Å; C118-A125 PolarHBondContact O-N 2.88Å
119V98.6Very high97.6Very high34 Ų3451 Ų5121%0.20628%0.279CS..EExtended strand (participates in β ladder)trans-131.1122.3-173.4-172.80000110.4T103 T104 K117 V123 V124T103-V119 WeakPolarHBondContact CA-O 3.35Å; T103-V119 PolarHBondContact OG1-O 3.12Å; T104-V119 PolarHBondContact N-O 3.39Å; T104-V119 PolarHBondContact O-N 3.38Å; K117-V119 HydrophobicContact CD-CG2 4.18Å; K117-V119 HydrophobicContact CG-CG2 3.91Å; V119-V123 WeakPolarHBondContact CA-O 3.31Å; V119-V124 HydrophobicContact CG1-CG2 4.42Å; V119-V124 HydrophobicContact CG2-CG2 4.34Å
120M98.2Very high97.6Very high5 Ų551.8 Ų51.83%0.02528%0.281CS..EExtended strand (participates in β ladder)trans-133.1116.7170.3-179.971.7-167.600107.6Y20 A23 I24 W98 K101 D122 V123Y20-M120 HydrophobicContact CD2-CB 4.17Å; Y20-M120 HydrophobicContact CE2-CB 4.02Å; A23-M120 HydrophobicContact CB-CB 4.06Å; A23-M120 HydrophobicContact CB-CG 3.84Å; I24-M120 HydrophobicContact CG2-CB 3.87Å; I24-M120 HydrophobicContact CG2-CG 3.84Å; I24-M120 HydrophobicContact CG2-SD 4.07Å; W98-M120 HydrophobicContact CH2-CE 4.35Å; W98-M120 HydrophobicContact CH2-SD 3.93Å; K101-M120 HydrophobicContact CB-CE 4.13Å; K101-M120 HydrophobicContact CD-CE 4.19Å; K101-M120 HydrophobicContact CG-CE 4.4Å; M120-D122 PolarHBondContact O-N 2.84Å; M120-V123 PolarHBondContact N-O 3.32Å; M120-V123 WeakPolarHBondContact O-CA 3.39Å; M120-V123 WeakPolarHBondContact O-CB 3.47Å; M120-V123 PolarHBondContact O-N 3.43Å
121D96Very high97.6Very high130 Ų13051.6 Ų51.670%0.69528%0.279SS*.THydrogen-bonded Turntrans51-118.7-173-56.9-42.1000112.1
122D96.9Very high97.6Very high145 Ų14548.5 Ų48.578%0.77526%0.26SS*.THydrogen-bonded Turntrans-89.7-4.4176.863.8-32.5000113.7M120M120-D122 PolarHBondContact O-N 2.84Å
123V98.4Very high96.7Very high27 Ų2755.4 Ų55.416%0.16429%0.289CS..EExtended strand (participates in β ladder)trans-90.1124-177-1760000111.1E19 A23 V119 M120E19-V123 HydrophobicContact CB-CG1 4Å; A23-V123 HydrophobicContact CB-CB 4.2Å; A23-V123 HydrophobicContact CB-CG2 4.05Å; V119-V123 WeakPolarHBondContact CA-O 3.31Å; M120-V123 PolarHBondContact N-O 3.32Å; M120-V123 WeakPolarHBondContact O-CA 3.39Å; M120-V123 WeakPolarHBondContact O-CB 3.47Å; M120-V123 PolarHBondContact O-N 3.43Å
124V98.6Very high96.6Very high57 Ų5754.3 Ų54.335%0.34529%0.287SS..EExtended strand (participates in β ladder)trans-120.4129.1177.4-178.70000110.3N16 K117 C118 V119N16-V124 WeakPolarHBondContact CB-O 3.43Å; N16-V124 PolarHBondContact ND2-O 3.36Å; K117-V124 HydrophobicContact CD-CG1 4.29Å; K117-V124 HydrophobicContact CG-CG1 3.84Å; C118-V124 WeakPolarHBondContact O-CA 3.45Å; V119-V124 HydrophobicContact CG1-CG2 4.42Å; V119-V124 HydrophobicContact CG2-CG2 4.34Å
125A98.6Very high96.5Very high0 Ų057.1 Ų57.10%030%0.302CS..EExtended strand (participates in β ladder)trans-117.7147.6168.200000110.7E15 F17 Y20 K117 C118E15-A125 WeakPolarHBondContact O-CA 3.26Å; E15-A125 WeakPolarHBondContact O-CB 3.43Å; F17-A125 HydrophobicContact CB-CB 4.43Å; F17-A125 HydrophobicContact CD2-CB 4.19Å; Y20-A125 HydrophobicContact CG-CB 4.2Å; K117-A125 WeakPolarHBondContact CA-O 3.48Å; C118-A125 HydrophobicContact CB-CB 4.32Å; C118-A125 PolarHBondContact N-O 3.42Å; C118-A125 PolarHBondContact O-N 2.88Å
126L98.3Very high96.4Very high63 Ų6358.7 Ų58.733%0.3331%0.311SS..EExtended strand (participates in β ladder)trans-121.8133.2177.9-67175.1000109.8S14 E15 I115 A116 K117S14-L126 CarbonylContact C-O 3.46Å; S14-L126 WeakPolarHBondContact CA-O 3.46Å; E15-L126 PolarHBondContact N-O 3.18Å; E15-L126 PolarHBondContact O-N 3.12Å; E15-L126 VanDerWaalsContact O-N 3.11Å; I115-L126 HydrophobicContact CG2-CD2 4.45Å; A116-L126 CarbonylContact O-C 3.58Å; A116-L126 WeakPolarHBondContact O-CA 3.35Å; K117-L126 HydrophobicContact CB-CD2 3.76Å; K117-L126 HydrophobicContact CD-CD2 4.43Å; K117-L126 HydrophobicContact CG-CD2 3.76Å
127R98.1Very high96.3Very high12 Ų1261.9 Ų61.95%0.04533%0.327CS..EExtended strand (participates in β ladder)trans-127.5130173.3-52.2-168.379133.8-0.3109.4M11 S13 S14 F17 A37 A116 Y129M11-R127 HydrophobicContact CE-CB 4.48Å; M11-R127 VanDerWaalsContact SD-CZ 3.56Å; M11-R127 PolarHBondContact SD-NE 3.24Å; M11-R127 VanDerWaalsContact SD-NE 3.42Å; M11-R127 PolarHBondContact SD-NH2 2.96Å; S13-R127 WeakPolarHBondContact O-CA 3.3Å; S14-R127 VanDerWaalsContact OG-CZ 3.3Å; S14-R127 PolarHBondContact OG-NE 3.18Å; F17-R127 HydrophobicContact CD2-CG 4.44Å; A37-R127 PolarHBondContact O-NH2 2.8Å; A116-R127 HydrophobicContact CB-CB 4.37Å; A116-R127 PolarHBondContact N-O 2.95Å; A116-R127 PolarHBondContact O-N 3.23Å; R127-Y129 HydrophobicContact CB-CE2 3.7Å
128T98.3Very high96.2Very high21 Ų2161.3 Ų61.313%0.12933%0.328CS..EExtended strand (participates in β ladder)trans-109.4138.5-178.3-55.80000109.8T12 S13 K113 I115T12-T128 PolarHBondContact N-O 2.82Å; T12-T128 PolarHBondContact OG1-O 3.08Å; S13-T128 PolarHBondContact N-O 3.32Å; S13-T128 PolarHBondContact O-N 2.72Å; S13-T128 VanDerWaalsContact OG-CB 3.23Å; S13-T128 WeakPolarHBondContact OG-CB 3.45Å; S13-T128 PolarHBondContact OG-OG1 3.2Å; S13-T128 VanDerWaalsContact OG-OG1 3.12Å; K113-T128 HydrophobicContact CB-CG2 4.26Å; K113-T128 HydrophobicContact CD-CG2 3.79Å; I115-T128 HydrophobicContact CD1-CG2 3.71Å
129Y98.5Very high96Very high12 Ų1265.1 Ų65.15%0.04735%0.347CS..EExtended strand (participates in β ladder)trans-131.9146.8178.3-52-112.3000111W9 K10 M11 P39 L41 K113 L114 A116 R127W9-Y129 HydrophobicContact CB-CD1 4.37Å; W9-Y129 HydrophobicContact CB-CG 4.4Å; K10-Y129 CarbonylContact O-C 3.53Å; K10-Y129 WeakPolarHBondContact O-CA 3.37Å; K10-Y129 WeakPolarHBondContact O-CB 3.2Å; M11-Y129 HydrophobicContact CB-CD1 3.7Å; M11-Y129 HydrophobicContact CB-CE1 3.7Å; M11-Y129 HydrophobicContact CB-CG 4.47Å; M11-Y129 HydrophobicContact CE-CD1 4.42Å; M11-Y129 HydrophobicContact CE-CE1 3.4Å; M11-Y129 VanDerWaalsContact CE-CE1 3.4Å; M11-Y129 HydrophobicContact CE-CE2 4.28Å; M11-Y129 WeakPolarHBondContact CE-OH 3.5Å; M11-Y129 HydrophobicContact CG-CD1 4.32Å; M11-Y129 HydrophobicContact CG-CE1 4.14Å; P39-Y129 WeakPolarHBondContact O-CE1 3.46Å; L41-Y129 HydrophobicContact CB-CE1 4.49Å; L41-Y129 HydrophobicContact CD1-CD1 4.24Å; L41-Y129 HydrophobicContact CD1-CD2 4.42Å; L41-Y129 HydrophobicContact CD1-CE1 3.72Å; L41-Y129 HydrophobicContact CD1-CE2 3.94Å; L41-Y129 HydrophobicContact CG-CD1 4.18Å; L41-Y129 HydrophobicContact CG-CE1 3.6Å; K113-Y129 WeakPolarHBondContact CA-O 3.46Å; K113-Y129 WeakPolarHBondContact CB-O 3.39Å; L114-Y129 HydrophobicContact CD2-CD2 3.69Å; L114-Y129 HydrophobicContact CD2-CE2 4.16Å; L114-Y129 HydrophobicContact CD2-CG 4.36Å; L114-Y129 PolarHBondContact N-O 3.19Å; L114-Y129 PolarHBondContact O-N 2.8Å; A116-Y129 HydrophobicContact CB-CE2 3.91Å; R127-Y129 HydrophobicContact CB-CE2 3.7Å
130E97.9Very high95.9Very high82 Ų8267.3 Ų67.338%0.38336%0.357SS..EExtended strand (participates in β ladder)trans-112.6141.7174.6-69.2-178.4179.500109.8W9 K10 T12 K113 E132W9-E130 CarbonylContact C-O 3.59Å; W9-E130 WeakPolarHBondContact CA-O 3.44Å; K10-E130 PolarHBondContact N-O 3.44Å; K10-E130 PolarHBondContact O-N 3.46Å; T12-E130 HydrophobicContact CG2-CB 4.04Å; T12-E130 HydrophobicContact CG2-CG 3.73Å; K113-E130 HydrophobicContact CD-CG 4.26Å; K113-E130 WeakPolarHBondContact CE-OE1 3.41Å; K113-E130 HydrophobicContact CG-CG 4.3Å; K113-E130 IonicContact NZ-OE1 3.22Å; K113-E130 PolarHBondContact NZ-OE1 2.86Å; E130-E132 PolarHBondContact O-N 3.21Å
131K96.8Very high95.7Very high100 Ų10072.1 Ų72.144%0.43538%0.383SS..EExtended strand (participates in β ladder)trans-67131.6-179.2-159.5166.2-172.1163.70109.5V6 W9 V133V6-K131 WeakPolarHBondContact O-CE 3.47Å; V6-K131 PolarHBondContact O-NZ 3.11Å; W9-K131 HydrophobicContact CD2-CB 4.35Å; W9-K131 HydrophobicContact CD2-CG 4.4Å; W9-K131 HydrophobicContact CE3-CB 3.85Å; W9-K131 HydrophobicContact CE3-CG 4.37Å; W9-K131 HydrophobicContact CH2-CB 3.99Å; W9-K131 HydrophobicContact CH2-CD 3.97Å; W9-K131 HydrophobicContact CH2-CG 4.21Å; W9-K131 HydrophobicContact CZ2-CB 4.48Å; W9-K131 HydrophobicContact CZ2-CD 3.95Å; W9-K131 HydrophobicContact CZ2-CG 4.24Å; W9-K131 HydrophobicContact CZ3-CB 3.65Å; W9-K131 HydrophobicContact CZ3-CG 4.28Å; K131-V133 PolarHBondContact O-N 3.08Å
132E92.4Very high95.7Very high82 Ų8267.3 Ų67.338%0.38336%0.357SS..  trans-69.3124.5168.3-172.7167.3-143.500108.4T8 K10 E130T8-E132 WeakPolarHBondContact CB-OE2 3.32Å; T8-E132 HydrophobicContact CG2-CB 4.2Å; T8-E132 WeakPolarHBondContact CG2-OE2 3.43Å; T8-E132 PolarHBondContact O-N 3.33Å; K10-E132 WeakPolarHBondContact CE-OE1 3.27Å; K10-E132 IonicContact NZ-OE1 2.76Å; K10-E132 PolarHBondContact NZ-OE1 2.65Å; E130-E132 PolarHBondContact O-N 3.21Å
133V75Confident95.5Very high206 Ų20660.2 Ų60.2100%1.24832%0.319SS*.  trans-78.50178-1770000110.2K131K131-V133 PolarHBondContact O-N 3.08Å

Retrieved 133 of 133 residues in 154.7 ms (Link to these results)

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