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Aspartate--ammonia ligase

May amidate Asp of the extracellular death factor precursor Asn-Asn-Trp-Asp-Asn to generate Asn-Asn-Trp-Asn-Asn.

AlphaFold DB , UniProt , Accession P00963, Species ECOLI (Escherichia coli (strain K12)), Gene asnA, Length 330 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
1M80.4Confident94.8Very high215 Ų215100.7 Ų100.7100%1.05950%0.504SS*.  0-63.40-61.2-176.5-156.100112.4T3 A4 Y5M1-T3 PolarHBondContact O-N 3.22Å; M1-A4 PolarHBondContact O-N 3.12Å; M1-Y5 PolarHBondContact O-N 3.32Å
2K91.6Very high95.2Very high167 Ų16793.3 Ų93.373%0.72647%0.466SS*.Hα-helixtrans-50.9-50.8-179-179.6-179.9175.2-177.60114.1A4 Y5 I6K2-A4 PolarHBondContact O-N 2.86Å; K2-Y5 PolarHBondContact O-N 3.23Å; K2-I6 HydrophobicContact CD-CD1 4.37Å; K2-I6 HydrophobicContact CG-CD1 3.71Å; K2-I6 HydrophobicContact CG-CG1 4.45Å; K2-I6 VanDerWaalsContact O-CG1 3.32Å; K2-I6 WeakPolarHBondContact O-CG1 3.34Å; K2-I6 PolarHBondContact O-N 3.08Å
3T92Very high95.4Very high117 Ų11791.5 Ų91.572%0.71847%0.469SS*.Hα-helixtrans-61.9-44.4-178-47.20000112.4M1 I6 A7M1-T3 PolarHBondContact O-N 3.22Å; T3-I6 PolarHBondContact O-N 2.86Å; T3-A7 WeakPolarHBondContact O-CB 3.49Å; T3-A7 PolarHBondContact O-N 3.04Å
4A93.1Very high95.7Very high69 Ų6989.1 Ų89.157%0.5745%0.453SS*.Hα-helixtrans-64.8-41.1177.500000112.1M1 K2 A7 K8M1-A4 PolarHBondContact O-N 3.12Å; K2-A4 PolarHBondContact O-N 2.86Å; A4-A7 PolarHBondContact O-N 3.35Å; A4-K8 WeakPolarHBondContact O-CB 3.48Å; A4-K8 PolarHBondContact O-N 2.97Å
5Y96.7Very high95.9Very high121 Ų12183.2 Ų83.248%0.47542%0.423SS..Hα-helixtrans-59.8-48.5173.9179.2-90000111.4M1 K2 A7 K8 Q9 L330M1-Y5 PolarHBondContact O-N 3.32Å; K2-Y5 PolarHBondContact O-N 3.23Å; Y5-A7 PolarHBondContact O-N 2.71Å; Y5-K8 PolarHBondContact O-N 3.42Å; Y5-Q9 HydrophobicContact CD1-CG 3.99Å; Y5-Q9 HydrophobicContact CE1-CG 3.57Å; Y5-Q9 HydrophobicContact CE2-CG 4.39Å; Y5-Q9 WeakPolarHBondContact O-CG 3.5Å; Y5-Q9 PolarHBondContact O-N 2.81Å; Y5-L330 HydrophobicContact CD2-CD2 4.11Å; Y5-L330 HydrophobicContact CE2-CD2 3.61Å
6I97.8Very high96.1Very high65 Ų6580.3 Ų80.333%0.33341%0.407SS..Hα-helixtrans-61.6-44.6179.3-67.7167.7000111.3K2 T3 K8 Q9 R10K2-I6 HydrophobicContact CD-CD1 4.37Å; K2-I6 HydrophobicContact CG-CD1 3.71Å; K2-I6 HydrophobicContact CG-CG1 4.45Å; K2-I6 VanDerWaalsContact O-CG1 3.32Å; K2-I6 WeakPolarHBondContact O-CG1 3.34Å; K2-I6 PolarHBondContact O-N 3.08Å; T3-I6 PolarHBondContact O-N 2.86Å; I6-K8 VanDerWaalsContact C-N 3.34Å; I6-K8 PolarHBondContact O-N 3.25Å; I6-Q9 PolarHBondContact O-N 3.32Å; I6-R10 WeakPolarHBondContact O-CG 3.38Å; I6-R10 PolarHBondContact O-N 2.93Å
7A97.5Very high96.2Very high48 Ų4879.4 Ų79.440%0.39741%0.409SS..Hα-helixtrans-58.6-47.4177.700000111.1T3 A4 Y5 Q9 R10 Q11T3-A7 WeakPolarHBondContact O-CB 3.49Å; T3-A7 PolarHBondContact O-N 3.04Å; A4-A7 PolarHBondContact O-N 3.35Å; Y5-A7 PolarHBondContact O-N 2.71Å; A7-Q9 PolarHBondContact O-N 3.01Å; A7-R10 PolarHBondContact O-N 3.25Å; A7-Q11 WeakPolarHBondContact O-CG 3.36Å; A7-Q11 PolarHBondContact O-N 2.99Å
8K98.2Very high96.4Very high25 Ų2577.3 Ų77.311%0.10940%0.397CS..Hα-helixtrans-61.1-43.2177.3-173.6171.263.9152.80112.7A4 Y5 I6 R10 Q11 I12 Q312 S328 L330A4-K8 WeakPolarHBondContact O-CB 3.48Å; A4-K8 PolarHBondContact O-N 2.97Å; Y5-K8 PolarHBondContact O-N 3.42Å; I6-K8 VanDerWaalsContact C-N 3.34Å; I6-K8 PolarHBondContact O-N 3.25Å; K8-R10 VanDerWaalsContact C-N 3.32Å; K8-R10 PolarHBondContact O-N 3.32Å; K8-Q11 PolarHBondContact O-N 3.08Å; K8-I12 HydrophobicContact CG-CD1 3.93Å; K8-I12 HydrophobicContact CG-CG1 4.47Å; K8-I12 WeakPolarHBondContact O-CD1 3.43Å; K8-I12 VanDerWaalsContact O-CG1 3.27Å; K8-I12 WeakPolarHBondContact O-CG1 3.44Å; K8-I12 PolarHBondContact O-N 2.96Å; K8-Q312 WeakPolarHBondContact CD-O 3.34Å; K8-Q312 WeakPolarHBondContact CE-O 3.44Å; K8-Q312 PolarHBondContact NZ-O 2.78Å; K8-S328 PolarHBondContact NZ-O 3.26Å; K8-L330 VanDerWaalsContact NZ-CD2 3.31Å
9Q98.6Very high96.5Very high56 Ų5673.3 Ų73.326%0.26238%0.376SS..Hα-helixtrans-61.8-40.4176.9-68.4-59.3-38.500111.9Y5 I6 A7 I12 S13Y5-Q9 HydrophobicContact CD1-CG 3.99Å; Y5-Q9 HydrophobicContact CE1-CG 3.57Å; Y5-Q9 HydrophobicContact CE2-CG 4.39Å; Y5-Q9 WeakPolarHBondContact O-CG 3.5Å; Y5-Q9 PolarHBondContact O-N 2.81Å; I6-Q9 PolarHBondContact O-N 3.32Å; A7-Q9 PolarHBondContact O-N 3.01Å; Q9-I12 PolarHBondContact O-N 2.94Å; Q9-S13 PolarHBondContact O-N 2.89Å; Q9-S13 PolarHBondContact O-OG 3.44Å
10R98.4Very high96.6Very high179 Ų17970 Ų7068%0.67536%0.36SS*.Hα-helixtrans-64.5-42.2175.4-70.8177.3177.6180-2.7112.3I6 A7 K8 S13 F14I6-R10 WeakPolarHBondContact O-CG 3.38Å; I6-R10 PolarHBondContact O-N 2.93Å; A7-R10 PolarHBondContact O-N 3.25Å; K8-R10 VanDerWaalsContact C-N 3.32Å; K8-R10 PolarHBondContact O-N 3.32Å; R10-S13 PolarHBondContact O-N 3.08Å; R10-F14 WeakPolarHBondContact O-CB 3.46Å; R10-F14 PolarHBondContact O-N 3.47Å
11Q98.8Very high96.7Very high46 Ų4673.7 Ų73.722%0.21537%0.37CS..Hα-helixtrans-61.3-46.9175.7-73172.4-3500111.9A7 K8 S13 F14 V15 F155 L305A7-Q11 WeakPolarHBondContact O-CG 3.36Å; A7-Q11 PolarHBondContact O-N 2.99Å; K8-Q11 PolarHBondContact O-N 3.08Å; Q11-S13 PolarHBondContact O-N 2.84Å; Q11-F14 WeakPolarHBondContact O-CB 3.41Å; Q11-F14 PolarHBondContact O-N 3.34Å; Q11-V15 WeakPolarHBondContact O-CG2 3.47Å; Q11-V15 PolarHBondContact O-N 2.96Å; Q11-F155 HydrophobicContact CB-CE2 4.22Å; Q11-F155 HydrophobicContact CB-CZ 4.27Å; Q11-F155 HydrophobicContact CG-CD1 3.73Å; Q11-F155 HydrophobicContact CG-CD2 3.9Å; Q11-F155 HydrophobicContact CG-CE1 3.66Å; Q11-F155 HydrophobicContact CG-CE2 3.83Å; Q11-F155 HydrophobicContact CG-CG 3.85Å; Q11-F155 HydrophobicContact CG-CZ 3.72Å; Q11-L305 HydrophobicContact CB-CD1 3.78Å; Q11-L305 HydrophobicContact CB-CD2 3.87Å; Q11-L305 HydrophobicContact CG-CD2 4.43Å
12I98.8Very high97.6Very high11 Ų1164.2 Ų64.26%0.05632%0.323CS..Hα-helixtrans-58.4-49177.3-68.4161.8000110.6K8 Q9 F14 V15 K16 T301 L305 V313 L330K8-I12 HydrophobicContact CG-CD1 3.93Å; K8-I12 HydrophobicContact CG-CG1 4.47Å; K8-I12 WeakPolarHBondContact O-CD1 3.43Å; K8-I12 VanDerWaalsContact O-CG1 3.27Å; K8-I12 WeakPolarHBondContact O-CG1 3.44Å; K8-I12 PolarHBondContact O-N 2.96Å; Q9-I12 PolarHBondContact O-N 2.94Å; I12-F14 VanDerWaalsContact C-N 3.33Å; I12-F14 PolarHBondContact O-N 3.13Å; I12-V15 PolarHBondContact O-N 3.23Å; I12-K16 HydrophobicContact CG2-CD 4.01Å; I12-K16 WeakPolarHBondContact O-CB 3.49Å; I12-K16 WeakPolarHBondContact O-CG 3.35Å; I12-K16 PolarHBondContact O-N 3.15Å; I12-K16 VanDerWaalsContact O-N 3.07Å; I12-T301 HydrophobicContact CB-CG2 4.26Å; I12-T301 HydrophobicContact CG1-CG2 3.97Å; I12-T301 HydrophobicContact CG2-CG2 4.24Å; I12-L305 HydrophobicContact CG1-CD1 4.11Å; I12-V313 HydrophobicContact CD1-CB 4.1Å; I12-V313 HydrophobicContact CD1-CG1 4.28Å; I12-V313 HydrophobicContact CG1-CB 4.12Å; I12-V313 HydrophobicContact CG1-CG1 4.08Å; I12-L330 HydrophobicContact CD1-CD1 4.23Å
13S98.8Very high97.9Very high71 Ų7156.3 Ų56.350%0.49729%0.289SS..Hα-helixtrans-61.2-41.7177.4-65.30000112.2Q9 R10 Q11 K16 S17Q9-S13 PolarHBondContact O-N 2.89Å; Q9-S13 PolarHBondContact O-OG 3.44Å; R10-S13 PolarHBondContact O-N 3.08Å; Q11-S13 PolarHBondContact O-N 2.84Å; S13-K16 PolarHBondContact O-N 3.24Å; S13-S17 WeakPolarHBondContact O-CB 3.32Å; S13-S17 PolarHBondContact O-N 2.91Å; S13-S17 PolarHBondContact O-OG 3.26Å
14F98.9Very high98.3Very high58 Ų5854.1 Ų54.125%0.25427%0.27SS..Hα-helixtrans-59.9-52.3178.5177.8-89000111.9R10 Q11 I12 K16 S17 H18 A150 V151 E154 F155R10-F14 WeakPolarHBondContact O-CB 3.46Å; R10-F14 PolarHBondContact O-N 3.47Å; Q11-F14 WeakPolarHBondContact O-CB 3.41Å; Q11-F14 PolarHBondContact O-N 3.34Å; I12-F14 VanDerWaalsContact C-N 3.33Å; I12-F14 PolarHBondContact O-N 3.13Å; F14-K16 VanDerWaalsContact C-N 3.31Å; F14-K16 PolarHBondContact O-N 3.16Å; F14-S17 PolarHBondContact O-N 2.91Å; F14-H18 WeakPolarHBondContact O-CB 3.43Å; F14-H18 PolarHBondContact O-N 3.28Å; F14-A150 HydrophobicContact CE1-CB 3.99Å; F14-A150 HydrophobicContact CZ-CB 3.84Å; F14-V151 HydrophobicContact CD1-CG2 4.07Å; F14-V151 HydrophobicContact CE1-CG2 3.94Å; F14-E154 HydrophobicContact CD2-CG 4.49Å; F14-E154 HydrophobicContact CE2-CB 4.35Å; F14-E154 HydrophobicContact CE2-CG 4.21Å; F14-E154 HydrophobicContact CZ-CB 4.09Å; F14-E154 HydrophobicContact CZ-CG 4.42Å; F14-F155 HydrophobicContact CB-CE2 3.85Å; F14-F155 HydrophobicContact CB-CZ 3.81Å; F14-F155 HydrophobicContact CD1-CD2 4.49Å; F14-F155 AromaticContact CD1-CE2 3.54Å; F14-F155 HydrophobicContact CD1-CE2 3.54Å; F14-F155 HydrophobicContact CD1-CZ 4.21Å; F14-F155 HydrophobicContact CD2-CE2 4.46Å; F14-F155 HydrophobicContact CD2-CZ 4.39Å; F14-F155 HydrophobicContact CE1-CE2 4.15Å; F14-F155 AromaticContact CG-CE2 3.7Å; F14-F155 HydrophobicContact CG-CE2 3.7Å; F14-F155 AromaticContact CG-CZ 3.89Å; F14-F155 HydrophobicContact CG-CZ 3.89Å
15V98.9Very high98.5Very high0 Ų057.6 Ų57.60%027%0.274CS..Hα-helixtrans-58.2-48.1179.41780000110.3Q11 I12 S17 H18 F19 T147 V151 T301 L304 L305Q11-V15 WeakPolarHBondContact O-CG2 3.47Å; Q11-V15 PolarHBondContact O-N 2.96Å; I12-V15 PolarHBondContact O-N 3.23Å; V15-S17 PolarHBondContact O-N 3.31Å; V15-H18 PolarHBondContact O-N 3.45Å; V15-F19 PolarHBondContact O-N 3.4Å; V15-T147 HydrophobicContact CG1-CG2 4.13Å; V15-V151 HydrophobicContact CG2-CG2 3.58Å; V15-T301 HydrophobicContact CB-CG2 4.32Å; V15-L304 HydrophobicContact CG1-CD1 4.02Å; V15-L305 HydrophobicContact CG2-CD2 3.81Å; V15-L305 HydrophobicContact CG2-CG 4.06Å
16K98.9Very high98.6Very high37 Ų3757 Ų5716%0.16127%0.271CS..Hα-helixtrans-61.7-48.2-176.8-76.1178.3173.9-110.90111.7I12 S13 F14 S20 D115 W117 Q297I12-K16 HydrophobicContact CG2-CD 4.01Å; I12-K16 WeakPolarHBondContact O-CB 3.49Å; I12-K16 WeakPolarHBondContact O-CG 3.35Å; I12-K16 PolarHBondContact O-N 3.15Å; I12-K16 VanDerWaalsContact O-N 3.07Å; S13-K16 PolarHBondContact O-N 3.24Å; F14-K16 VanDerWaalsContact C-N 3.31Å; F14-K16 PolarHBondContact O-N 3.16Å; K16-S20 PolarHBondContact O-N 2.92Å; K16-S20 VanDerWaalsContact O-N 3.14Å; K16-S20 PolarHBondContact O-OG 2.97Å; K16-S20 VanDerWaalsContact O-OG 3.07Å; K16-D115 IonicContact NZ-OD2 3.54Å; K16-D115 PolarHBondContact NZ-OD2 3.26Å; K16-W117 HydrophobicContact CB-CZ2 4.37Å; K16-W117 HydrophobicContact CG-CZ2 4.35Å; K16-Q297 VanDerWaalsContact NZ-CB 3.27Å
17S98.8Very high98.6Very high64 Ų6454.4 Ų54.445%0.44826%0.258SS..Hα-helixtrans-69-38.1179.4-64.60000113.2S13 F14 V15 R21S13-S17 WeakPolarHBondContact O-CB 3.32Å; S13-S17 PolarHBondContact O-N 2.91Å; S13-S17 PolarHBondContact O-OG 3.26Å; F14-S17 PolarHBondContact O-N 2.91Å; V15-S17 PolarHBondContact O-N 3.31Å; S17-R21 WeakPolarHBondContact O-CG 3.48Å; S17-R21 PolarHBondContact O-N 3.25Å
18H98.9Very high98.5Very high42 Ų4254.2 Ų54.219%0.19426%0.261CS..Hα-helixtrans-66.9-46.8-179.4-171.3-81.7000111.2F14 V15 R21 Q22 T147 A150F14-H18 WeakPolarHBondContact O-CB 3.43Å; F14-H18 PolarHBondContact O-N 3.28Å; V15-H18 PolarHBondContact O-N 3.45Å; H18-R21 PolarHBondContact O-N 2.62Å; H18-Q22 PolarHBondContact O-N 3.31Å; H18-T147 HydrophobicContact CB-CG2 4.19Å; H18-T147 WeakPolarHBondContact ND1-CA 3.46Å; H18-T147 PolarHBondContact ND1-OG1 3.2Å; H18-A150 WeakPolarHBondContact NE2-CB 3.48Å
19F98.9Very high98.6Very high1 Ų153.2 Ų53.20%0.00426%0.256CS..Hα-helixtrans-69.4-33.6179.3-170.6-109.1000113V15 R21 Q22 L23 W117 I140 I144 T147 I295 L300V15-F19 PolarHBondContact O-N 3.4Å; F19-R21 VanDerWaalsContact C-N 3.28Å; F19-R21 PolarHBondContact O-N 3.36Å; F19-Q22 HydrophobicContact CD2-CB 4.23Å; F19-Q22 WeakPolarHBondContact O-CB 3.25Å; F19-Q22 PolarHBondContact O-N 3.02Å; F19-L23 HydrophobicContact CD1-CD1 4.29Å; F19-L23 HydrophobicContact CD1-CG 4.42Å; F19-L23 HydrophobicContact CE1-CD1 3.93Å; F19-L23 HydrophobicContact CE1-CD2 4.22Å; F19-L23 HydrophobicContact CE1-CG 4Å; F19-L23 HydrophobicContact CZ-CD2 4.15Å; F19-L23 HydrophobicContact CZ-CG 4.27Å; F19-L23 PolarHBondContact O-N 3.28Å; F19-L23 VanDerWaalsContact O-N 3.09Å; F19-W117 HydrophobicContact CB-CH2 4.1Å; F19-W117 HydrophobicContact CB-CZ2 3.92Å; F19-W117 AromaticContact CD1-CD2 3.68Å; F19-W117 HydrophobicContact CD1-CD2 3.68Å; F19-W117 AromaticContact CD1-CE2 3.71Å; F19-W117 AromaticContact CD1-CE3 3.6Å; F19-W117 HydrophobicContact CD1-CE3 3.6Å; F19-W117 HydrophobicContact CD1-CG 4.42Å; F19-W117 AromaticContact CD1-CH2 3.65Å; F19-W117 HydrophobicContact CD1-CH2 3.65Å; F19-W117 AromaticContact CD1-CZ2 3.7Å; F19-W117 HydrophobicContact CD1-CZ2 3.7Å; F19-W117 AromaticContact CD1-CZ3 3.56Å; F19-W117 HydrophobicContact CD1-CZ3 3.56Å; F19-W117 HydrophobicContact CE1-CD2 4.07Å; F19-W117 AromaticContact CE1-CE3 3.8Å; F19-W117 HydrophobicContact CE1-CE3 3.8Å; F19-W117 HydrophobicContact CE1-CZ3 4.04Å; F19-W117 HydrophobicContact CG-CH2 4.26Å; F19-W117 HydrophobicContact CG-CZ2 4.29Å; F19-W117 HydrophobicContact CG-CZ3 4.5Å; F19-I140 HydrophobicContact CZ-CG2 4.38Å; F19-I144 HydrophobicContact CD2-CG1 4.46Å; F19-I144 HydrophobicContact CE2-CB 4.42Å; F19-I144 HydrophobicContact CE2-CG1 3.6Å; F19-I144 HydrophobicContact CZ-CG1 3.93Å; F19-T147 HydrophobicContact CB-CG2 4.2Å; F19-I295 HydrophobicContact CE1-CB 4.45Å; F19-I295 HydrophobicContact CE1-CD1 3.7Å; F19-I295 HydrophobicContact CE1-CG2 4.03Å; F19-I295 HydrophobicContact CZ-CD1 3.78Å; F19-L300 HydrophobicContact CB-CD2 4.17Å; F19-L300 HydrophobicContact CD1-CD2 3.52Å; F19-L300 HydrophobicContact CD2-CD2 3.92Å; F19-L300 HydrophobicContact CE1-CD2 3.79Å; F19-L300 HydrophobicContact CE2-CD2 4.19Å; F19-L300 HydrophobicContact CG-CD2 3.57Å; F19-L300 HydrophobicContact CZ-CD2 4.12Å
20S98.8Very high98.6Very high7 Ų755 Ų555%0.04927%0.267CS..Hα-helixtrans-52.9-47.3170.4-730000111.8K16 Q22 L23 E24 H95 W117K16-S20 PolarHBondContact O-N 2.92Å; K16-S20 VanDerWaalsContact O-N 3.14Å; K16-S20 PolarHBondContact O-OG 2.97Å; K16-S20 VanDerWaalsContact O-OG 3.07Å; S20-Q22 VanDerWaalsContact C-N 3.3Å; S20-Q22 PolarHBondContact O-N 3.2Å; S20-L23 WeakPolarHBondContact O-CB 3.42Å; S20-L23 PolarHBondContact O-N 2.96Å; S20-L23 VanDerWaalsContact O-N 3.15Å; S20-E24 PolarHBondContact O-N 3.12Å; S20-H95 PolarHBondContact OG-CE1 2.98Å; S20-H95 PolarHBondContact OG-NE2 3.38Å; S20-W117 PolarHBondContact OG-NE1 3.19Å
21R98.8Very high98.6Very high148 Ų14851.2 Ų51.256%0.55826%0.257SS*.Hα-helixtrans-63.5-36.1177.1-65.6174.6-173.7168.21.6112.4S17 H18 F19 L23 E24 E25S17-R21 WeakPolarHBondContact O-CG 3.48Å; S17-R21 PolarHBondContact O-N 3.25Å; H18-R21 PolarHBondContact O-N 2.62Å; F19-R21 VanDerWaalsContact C-N 3.28Å; F19-R21 PolarHBondContact O-N 3.36Å; R21-L23 VanDerWaalsContact C-N 3.28Å; R21-L23 PolarHBondContact O-N 3.32Å; R21-E24 PolarHBondContact O-N 3.22Å; R21-E25 WeakPolarHBondContact O-CB 3.37Å; R21-E25 WeakPolarHBondContact O-CG 3.38Å; R21-E25 PolarHBondContact O-N 3.29Å
22Q98.8Very high98.6Very high16 Ų1650.4 Ų50.48%0.07526%0.255CS..Hα-helixtrans-62.4-36.2175.8-64.7-57.8-69.500112.1H18 F19 S20 E25 R26 A146H18-Q22 PolarHBondContact O-N 3.31Å; F19-Q22 HydrophobicContact CD2-CB 4.23Å; F19-Q22 WeakPolarHBondContact O-CB 3.25Å; F19-Q22 PolarHBondContact O-N 3.02Å; S20-Q22 VanDerWaalsContact C-N 3.3Å; S20-Q22 PolarHBondContact O-N 3.2Å; Q22-E25 PolarHBondContact NE2-OE2 2.89Å; Q22-R26 WeakPolarHBondContact O-CB 3.32Å; Q22-R26 WeakPolarHBondContact O-CG 3.32Å; Q22-R26 PolarHBondContact O-N 2.93Å; Q22-R26 VanDerWaalsContact OE1-NH2 3.11Å; Q22-A146 HydrophobicContact CG-CB 4.37Å; Q22-A146 VanDerWaalsContact OE1-CB 3.28Å
23L98.7Very high98.6Very high2 Ų257.5 Ų57.51%0.0129%0.288CS..Hα-helixtrans-67.2-43.1175.2-71.6175.3000111.9F19 S20 R21 L27 L29 W117 I295F19-L23 HydrophobicContact CD1-CD1 4.29Å; F19-L23 HydrophobicContact CD1-CG 4.42Å; F19-L23 HydrophobicContact CE1-CD1 3.93Å; F19-L23 HydrophobicContact CE1-CD2 4.22Å; F19-L23 HydrophobicContact CE1-CG 4Å; F19-L23 HydrophobicContact CZ-CD2 4.15Å; F19-L23 HydrophobicContact CZ-CG 4.27Å; F19-L23 PolarHBondContact O-N 3.28Å; F19-L23 VanDerWaalsContact O-N 3.09Å; S20-L23 WeakPolarHBondContact O-CB 3.42Å; S20-L23 PolarHBondContact O-N 2.96Å; S20-L23 VanDerWaalsContact O-N 3.15Å; R21-L23 VanDerWaalsContact C-N 3.28Å; R21-L23 PolarHBondContact O-N 3.32Å; L23-L27 HydrophobicContact CD2-CD1 4.01Å; L23-L27 WeakPolarHBondContact O-CB 3.49Å; L23-L27 PolarHBondContact O-N 3.45Å; L23-L27 VanDerWaalsContact O-N 3.12Å; L23-L29 HydrophobicContact CB-CD1 4.24Å; L23-W117 HydrophobicContact CD1-CB 3.48Å; L23-W117 VanDerWaalsContact CD1-CB 3.48Å; L23-W117 HydrophobicContact CD1-CD2 4.4Å; L23-W117 HydrophobicContact CD1-CG 3.6Å; L23-I295 HydrophobicContact CD2-CD1 4.02Å
24E98.6Very high98.5Very high70 Ų7056.1 Ų56.133%0.32728%0.281SS..Hα-helixtrans-59.7-53.2176.2-65.2173.5-168.200111.4S20 R21 G28 L29 Y93S20-E24 PolarHBondContact O-N 3.12Å; R21-E24 PolarHBondContact O-N 3.22Å; E24-G28 VanDerWaalsContact O-CA 3.31Å; E24-G28 WeakPolarHBondContact O-CA 3.49Å; E24-G28 PolarHBondContact O-N 3.43Å; E24-L29 WeakPolarHBondContact CA-O 3.48Å; E24-L29 WeakPolarHBondContact CG-O 3.31Å; E24-L29 PolarHBondContact O-N 3.27Å; E24-Y93 HydrophobicContact CG-CD1 4.27Å; E24-Y93 HydrophobicContact CG-CE1 3.43Å; E24-Y93 VanDerWaalsContact CG-CE1 3.43Å; E24-Y93 VanDerWaalsContact OE1-CE1 3.31Å; E24-Y93 WeakPolarHBondContact OE1-CE1 3.35Å; E24-Y93 PolarHBondContact OE1-OH 2.94Å
25E98.1Very high98.5Very high142 Ų14255.2 Ų55.266%0.66428%0.281SS*.Hα-helixtrans-69.3-39.1-174-69.8173177.500113R21 Q22R21-E25 WeakPolarHBondContact O-CB 3.37Å; R21-E25 WeakPolarHBondContact O-CG 3.38Å; R21-E25 PolarHBondContact O-N 3.29Å; Q22-E25 PolarHBondContact NE2-OE2 2.89Å
26R98.2Very high98.4Very high109 Ų10959.4 Ų59.441%0.41130%0.302SS..Hα-helixtrans-90.6-26.1-171.7-62.2-177.4178.9-80.4-3.7113.9Q22 A139Q22-R26 WeakPolarHBondContact O-CB 3.32Å; Q22-R26 WeakPolarHBondContact O-CG 3.32Å; Q22-R26 PolarHBondContact O-N 2.93Å; Q22-R26 VanDerWaalsContact OE1-NH2 3.11Å; R26-A139 VanDerWaalsContact CD-O 3.24Å; R26-A139 WeakPolarHBondContact CD-O 3.41Å
27L98.2Very high98.4Very high11 Ų1160.6 Ų60.66%0.05831%0.31CS..Hα-helixtrans-117.1-2-176.6-62.9-177.7000113.6L23 L29 W119 T136 A139 I140L23-L27 HydrophobicContact CD2-CD1 4.01Å; L23-L27 WeakPolarHBondContact O-CB 3.49Å; L23-L27 PolarHBondContact O-N 3.45Å; L23-L27 VanDerWaalsContact O-N 3.12Å; L27-L29 VanDerWaalsContact C-N 3.32Å; L27-L29 HydrophobicContact CB-CD1 3.76Å; L27-L29 HydrophobicContact CB-CD2 4.29Å; L27-L29 HydrophobicContact CB-CG 3.64Å; L27-L29 HydrophobicContact CD1-CD1 3.84Å; L27-L29 HydrophobicContact CG-CD1 4.46Å; L27-W119 HydrophobicContact CD1-CD2 4.47Å; L27-W119 HydrophobicContact CD1-CE3 4.27Å; L27-W119 HydrophobicContact CD1-CZ3 4.31Å; L27-T136 HydrophobicContact CD2-CG2 4.09Å; L27-A139 HydrophobicContact CD2-CB 3.83Å; L27-I140 HydrophobicContact CD1-CD1 4.07Å; L27-I140 HydrophobicContact CD1-CG1 3.72Å; L27-I140 HydrophobicContact CG-CG1 4.5Å
28G96.5Very high98.3Very high43 Ų4358 Ų5844%0.44329%0.291SS..  trans68.532.2-179.700000112.9E24E24-G28 VanDerWaalsContact O-CA 3.31Å; E24-G28 WeakPolarHBondContact O-CA 3.49Å; E24-G28 PolarHBondContact O-N 3.43Å
29L98.7Very high98.2Very high4 Ų462.5 Ų62.52%0.02131%0.307CS..EExtended strand (participates in β ladder)trans-92.1149-176.4-54.7175000110.8L23 E24 L27 Y93 W119 R121L23-L29 HydrophobicContact CB-CD1 4.24Å; E24-L29 WeakPolarHBondContact CA-O 3.48Å; E24-L29 WeakPolarHBondContact CG-O 3.31Å; E24-L29 PolarHBondContact O-N 3.27Å; L27-L29 VanDerWaalsContact C-N 3.32Å; L27-L29 HydrophobicContact CB-CD1 3.76Å; L27-L29 HydrophobicContact CB-CD2 4.29Å; L27-L29 HydrophobicContact CB-CG 3.64Å; L27-L29 HydrophobicContact CD1-CD1 3.84Å; L27-L29 HydrophobicContact CG-CD1 4.46Å; L29-Y93 HydrophobicContact CB-CD1 3.98Å; L29-W119 HydrophobicContact CD1-CB 3.83Å; L29-W119 HydrophobicContact CD1-CD2 4.39Å; L29-W119 HydrophobicContact CD1-CE3 4.19Å; L29-W119 HydrophobicContact CD1-CG 4.27Å; L29-R121 HydrophobicContact CD2-CB 4.22Å; L29-R121 HydrophobicContact CD2-CG 4.45Å
30I98.7Very high98Very high94 Ų9465 Ų6548%0.48232%0.322SS..EExtended strand (participates in β ladder)trans-113.6146.9169.163.5169.6000111.2V32 F86 G91 L92 Y93I30-V32 HydrophobicContact CD1-CG1 4.44Å; I30-V32 HydrophobicContact CG1-CG1 4.23Å; I30-F86 HydrophobicContact CD1-CE1 4.08Å; I30-F86 HydrophobicContact CD1-CZ 4.07Å; I30-F86 HydrophobicContact CG1-CE1 4.32Å; I30-G91 PolarHBondContact N-O 3.46Å; I30-G91 VanDerWaalsContact N-O 3.09Å; I30-L92 CarbonylContact O-C 3.55Å; I30-L92 VanDerWaalsContact O-CA 3.3Å; I30-L92 WeakPolarHBondContact O-CA 3.2Å; I30-Y93 PolarHBondContact O-N 3.44Å
31E98.8Very high97.8Very high100 Ų10067.2 Ų67.247%0.46735%0.346SS..EExtended strand (participates in β ladder)trans-69.8131.3173.4-166.8-17216400110.3Y93 H95E31-Y93 CarbonylContact C-O 3.5Å; E31-Y93 WeakPolarHBondContact CA-O 3.42Å; E31-Y93 HydrophobicContact CB-CD1 4.47Å; E31-Y93 HydrophobicContact CB-CE1 3.71Å; E31-Y93 HydrophobicContact CB-CE2 4.34Å; E31-Y93 HydrophobicContact CG-CE1 4.39Å; E31-Y93 HydrophobicContact CG-CE2 4.14Å; E31-H95 IonicContact OE1-CD2 3.87Å; E31-H95 PolarHBondContact OE1-CD2 3.31Å
32V98.6Very high97.6Very high28 Ų2861.7 Ų61.717%0.1733%0.328CS..  trans-126.5157.3174.1-58.50000112.1I30 W76 L92 Y93 T94I30-V32 HydrophobicContact CD1-CG1 4.44Å; I30-V32 HydrophobicContact CG1-CG1 4.23Å; V32-W76 HydrophobicContact CG2-CH2 3.91Å; V32-W76 HydrophobicContact CG2-CZ3 4.2Å; V32-L92 HydrophobicContact CB-CB 4.49Å; V32-L92 HydrophobicContact CG1-CB 3.78Å; V32-L92 HydrophobicContact CG2-CB 3.88Å; V32-L92 HydrophobicContact CG2-CD1 3.87Å; V32-L92 HydrophobicContact CG2-CD2 4.14Å; V32-L92 HydrophobicContact CG2-CG 4.18Å; V32-Y93 PolarHBondContact N-O 3.44Å; V32-T94 WeakPolarHBondContact O-CB 3.46Å; V32-T94 PolarHBondContact O-OG1 3.46Å
33Q98.5Very high97.5Very high160 Ų16061.3 Ų61.375%0.74833%0.328SS*.PPolyproline II helixtrans-72.7132176.4-57.2-55.6-65.200110.7W76Q33-W76 VanDerWaalsContact O-CH2 3.29Å; Q33-W76 WeakPolarHBondContact O-CH2 3.18Å
34A97.8Very high97.4Very high42 Ų4262 Ų6235%0.34733%0.332SS..PPolyproline II helixtrans-101.5143.6-178.100000112.9L73 T94A34-L73 HydrophobicContact CB-CD1 3.49Å; A34-L73 VanDerWaalsContact CB-CD1 3.49Å; A34-T94 HydrophobicContact CB-CG2 3.77Å; A34-T94 WeakPolarHBondContact CB-OG1 3.15Å
35P97.8Very high97.2Very high40 Ų4059.3 Ų59.326%0.2632%0.32SS..PPolyproline II helixtrans-72.4151165.231.1-31.4000110.8L73 W76P35-L73 HydrophobicContact CG-CD2 3.57Å; P35-W76 HydrophobicContact CG-CD2 4.08Å; P35-W76 HydrophobicContact CG-CG 4.09Å
36I98.1Very high97Very high88 Ų8852.7 Ų52.745%0.45129%0.289SS..SBendtrans-105.8-16.6168.3-170.758.8000111.9V69 V70 K97I36-V69 HydrophobicContact CD1-CG1 4.2Å; I36-V69 WeakPolarHBondContact O-CA 3.37Å; I36-V70 PolarHBondContact O-N 3.08Å; I36-V70 VanDerWaalsContact O-N 3.15Å; I36-K97 HydrophobicContact CD1-CB 4.17Å; I36-K97 WeakPolarHBondContact CD1-O 3.29Å
37L97.8Very high96.6Very high62 Ų6250 Ų5033%0.32528%0.283SS..EExtended strand (participates in β ladder)trans-118139.8177.9-58.4-179.4000110.1V57 V59 F67 E68 V69L37-V57 HydrophobicContact CD1-CG1 4.37Å; L37-V57 HydrophobicContact CD2-CB 4.07Å; L37-V57 HydrophobicContact CD2-CG1 4.25Å; L37-V57 HydrophobicContact CD2-CG2 3.74Å; L37-V59 HydrophobicContact CD1-CG2 4.39Å; L37-F67 HydrophobicContact CB-CD1 4.42Å; L37-E68 CarbonylContact C-O 3.35Å; L37-E68 VanDerWaalsContact CA-O 3.25Å; L37-E68 WeakPolarHBondContact CA-O 3.38Å; L37-V69 HydrophobicContact CD2-CG2 4.32Å
38S96.8Very high96.3Very high8 Ų850.7 Ų50.76%0.05629%0.286CS..EExtended strand (participates in β ladder)trans-113.1149.4165.2174.40000109.4T44 F67 E68S38-T44 PolarHBondContact OG-OG1 3.47Å; S38-F67 CarbonylContact O-C 3.59Å; S38-F67 VanDerWaalsContact O-CA 3.25Å; S38-F67 WeakPolarHBondContact O-CA 3.33Å; S38-E68 PolarHBondContact N-O 3.37Å; S38-E68 PolarHBondContact O-N 3.42Å
39R96.8Very high95.9Very high137 Ų13751 Ų5152%0.51728%0.281SS..EExtended strand (participates in β ladder)trans-86.2128.1175.3-178.9-177.4-179.6174.81.3108.8G41 D42 F67R39-G41 PolarHBondContact O-N 3.47Å; R39-D42 PolarHBondContact O-N 3.31Å; R39-D42 VanDerWaalsContact O-OD1 3.11Å; R39-F67 HydrophobicContact CB-CD1 4.19Å; R39-F67 HydrophobicContact CB-CE1 3.99Å; R39-F67 HydrophobicContact CG-CE1 4.38Å
40V94.9Very high95.4Very high53 Ų5353 Ų5332%0.32130%0.304SS..THydrogen-bonded Turntrans-63.9128.5176.4-176.10000109.6Q66 E68V40-Q66 HydrophobicContact CB-CB 3.93Å; V40-Q66 HydrophobicContact CG2-CB 3.88Å; V40-Q66 PolarHBondContact N-O 3.4Å; V40-E68 HydrophobicContact CG2-CB 4.39Å; V40-E68 VanDerWaalsContact CG2-CD 3.47Å; V40-E68 HydrophobicContact CG2-CG 3.57Å; V40-E68 WeakPolarHBondContact CG2-OE1 3.48Å
41G94.2Very high95Very high54 Ų5453.2 Ų53.256%0.55731%0.312SS*.THydrogen-bonded Turntrans97.3-4.5176.300000116.1R39 L276R39-G41 PolarHBondContact O-N 3.47Å; G41-L276 WeakPolarHBondContact O-CD2 3.35Å
42D95.4Very high94.7Very high33 Ų3351.1 Ų51.118%0.17630%0.303CS..SBendtrans-83.8-14.4173.568.415.4000113.2R39 T44 W278R39-D42 PolarHBondContact O-N 3.31Å; R39-D42 VanDerWaalsContact O-OD1 3.11Å; D42-T44 VanDerWaalsContact C-N 3.33Å; D42-T44 HydrophobicContact CB-CG2 4.48Å; D42-T44 VanDerWaalsContact CG-OG1 3.24Å; D42-T44 VanDerWaalsContact OD1-CB 3.31Å; D42-T44 WeakPolarHBondContact OD1-CB 3.4Å; D42-T44 WeakPolarHBondContact OD1-CG2 3.14Å; D42-T44 PolarHBondContact OD1-N 2.8Å; D42-T44 PolarHBondContact OD1-OG1 3.22Å; D42-T44 PolarHBondContact OD2-OG1 3.04Å; D42-W278 WeakPolarHBondContact O-CB 3.44Å; D42-W278 PolarHBondContact O-N 2.99Å
43G96.4Very high94.4Very high7 Ų757.3 Ų57.37%0.07233%0.327CS..SBendtrans806.3179.900000115.2K75G43-K75 WeakPolarHBondContact O-CD 3.28Å; G43-K75 WeakPolarHBondContact O-CE 3.5Å; G43-K75 PolarHBondContact O-NZ 2.78Å
44T96.2Very high94.2Very high17 Ų1750.1 Ų50.110%0.10430%0.295CS..  trans-80.4-25-179.963.60000113.9S38 D42 K75 Q79 W278S38-T44 PolarHBondContact OG-OG1 3.47Å; D42-T44 VanDerWaalsContact C-N 3.33Å; D42-T44 HydrophobicContact CB-CG2 4.48Å; D42-T44 VanDerWaalsContact CG-OG1 3.24Å; D42-T44 VanDerWaalsContact OD1-CB 3.31Å; D42-T44 WeakPolarHBondContact OD1-CB 3.4Å; D42-T44 WeakPolarHBondContact OD1-CG2 3.14Å; D42-T44 PolarHBondContact OD1-N 2.8Å; D42-T44 PolarHBondContact OD1-OG1 3.22Å; D42-T44 PolarHBondContact OD2-OG1 3.04Å; T44-K75 WeakPolarHBondContact O-CB 3.27Å; T44-Q79 VanDerWaalsContact CG2-OE1 3.3Å; T44-W278 HydrophobicContact CG2-CB 4.49Å
45Q95.7Very high94.1Very high13 Ų1350.5 Ų50.56%0.06129%0.293CS..SBendtrans-64.4134.7179.5179.367.1-7.500111.8N47 V69 K75Q45-N47 PolarHBondContact O-N 3.44Å; Q45-N47 PolarHBondContact O-OD1 3.23Å; Q45-N47 VanDerWaalsContact O-OD1 3.13Å; Q45-V69 PolarHBondContact NE2-O 3.16Å; Q45-K75 WeakPolarHBondContact O-CE 3.43Å; Q45-K75 PolarHBondContact O-NZ 2.86Å
46D92.3Very high94.1Very high4 Ų453.7 Ų53.72%0.02131%0.305CS..  trans-71.4118.4168.5178.86.7000110.9L48 H71 S72 Y218D46-L48 PolarHBondContact OD1-N 3.37Å; D46-L48 WeakPolarHBondContact OD2-CD2 3.38Å; D46-H71 HydrophobicContact CB-CB 4.34Å; D46-H71 PolarHBondContact O-ND1 2.97Å; D46-S72 WeakPolarHBondContact CB-OG 3.4Å; D46-S72 VanDerWaalsContact CG-OG 3.26Å; D46-S72 WeakPolarHBondContact OD2-CB 3.34Å; D46-S72 PolarHBondContact OD2-OG 2.88Å; D46-Y218 WeakPolarHBondContact OD1-CE1 3.32Å
47N90.8Very high94.1Very high52 Ų5251.6 Ų51.628%0.27830%0.296SS..  trans-87.9-2.1-177.2-61.3101.6000113.5Q45 S49 G50 K75Q45-N47 PolarHBondContact O-N 3.44Å; Q45-N47 PolarHBondContact O-OD1 3.23Å; Q45-N47 VanDerWaalsContact O-OD1 3.13Å; N47-S49 PolarHBondContact O-N 3.5Å; N47-G50 WeakPolarHBondContact O-CA 3.5Å; N47-G50 PolarHBondContact O-N 3.13Å; N47-K75 PolarHBondContact OD1-NZ 2.7Å
48L91.6Very high94.1Very high25 Ų2558.3 Ų58.313%0.13132%0.322CS..THydrogen-bonded Turntrans51.6-119.1-178.9-57.5177.5000112.1D46 G50 E52 H71 A215D46-L48 PolarHBondContact OD1-N 3.37Å; D46-L48 WeakPolarHBondContact OD2-CD2 3.38Å; L48-G50 VanDerWaalsContact C-N 3.32Å; L48-E52 WeakPolarHBondContact CB-OE2 3.34Å; L48-E52 HydrophobicContact CD1-CB 4.37Å; L48-E52 HydrophobicContact CD1-CG 4.23Å; L48-H71 HydrophobicContact CD1-CB 4.07Å; L48-H71 HydrophobicContact CD2-CB 4.4Å; L48-H71 HydrophobicContact CG-CB 4.1Å; L48-A215 WeakPolarHBondContact O-CB 3.45Å
49S88.3Confident94.1Very high49 Ų4960 Ų6034%0.34333%0.332SS..THydrogen-bonded Turntrans-84.8-7.7177.172.50000113.5N47 C51 E52N47-S49 PolarHBondContact O-N 3.5Å; S49-C51 PolarHBondContact OG-SG 3.19Å; S49-E52 WeakPolarHBondContact CB-OE1 3.27Å; S49-E52 PolarHBondContact N-OE1 3.36Å; S49-E52 PolarHBondContact N-OE2 3.25Å; S49-E52 PolarHBondContact OG-OE1 2.95Å; S49-E52 PolarHBondContact OG-OE2 2.9Å
50G88.7Confident94.1Very high48 Ų4863.2 Ų63.250%0.49535%0.35SS..SBendtrans90.9-1.3-179.700000114N47 L48 E52N47-G50 WeakPolarHBondContact O-CA 3.5Å; N47-G50 PolarHBondContact O-N 3.13Å; L48-G50 VanDerWaalsContact C-N 3.32Å; G50-E52 PolarHBondContact N-OE2 2.78Å
51C90.1Very high94.3Very high97 Ų9765 Ų6566%0.65537%0.37SS*.  trans-105.8-23.1178.973.60000113.4S49S49-C51 PolarHBondContact OG-SG 3.19Å
52E91.9Very high94.5Very high57 Ų5766.6 Ų66.627%0.26637%0.365SS..PPolyproline II helixtrans-73.8135.4-177.2-54.187.416100111.1L48 S49 G50 D102L48-E52 WeakPolarHBondContact CB-OE2 3.34Å; L48-E52 HydrophobicContact CD1-CB 4.37Å; L48-E52 HydrophobicContact CD1-CG 4.23Å; S49-E52 WeakPolarHBondContact CB-OE1 3.27Å; S49-E52 PolarHBondContact N-OE1 3.36Å; S49-E52 PolarHBondContact N-OE2 3.25Å; S49-E52 PolarHBondContact OG-OE1 2.95Å; S49-E52 PolarHBondContact OG-OE2 2.9Å; G50-E52 PolarHBondContact N-OE2 2.78Å; E52-D102 HydrophobicContact CB-CB 4.39Å
53K91.9Very high94.5Very high157 Ų15770 Ų7068%0.68339%0.389SS*.PPolyproline II helixtrans-99.3120.4176.9-67.9-177.7-178.2176.20110.8P101 D102K53-P101 WeakPolarHBondContact O-CG 3.29Å; K53-D102 PolarHBondContact N-OD2 2.99Å
54A94.5Very high94.5Very high9 Ų977.2 Ų77.27%0.07443%0.426CS..PPolyproline II helixtrans-68.6154.5172.800000112.1Q56 E68 H71A54-Q56 PolarHBondContact O-N 3.45Å; A54-Q56 VanDerWaalsContact O-N 3.16Å; A54-Q56 PolarHBondContact O-NE2 2.68Å; A54-E68 HydrophobicContact CB-CB 3.85Å; A54-E68 HydrophobicContact CB-CG 4.07Å; A54-E68 WeakPolarHBondContact CB-OE2 3.1Å; A54-H71 VanDerWaalsContact CA-NE2 3.29Å; A54-H71 WeakPolarHBondContact CA-NE2 3.4Å; A54-H71 WeakPolarHBondContact CB-NE2 3.26Å
55V96.7Very high94.6Very high51 Ų5177.3 Ų77.331%0.30943%0.428SS..  trans-66.7114.5178.5179.60000109.6E68 V69 L99 P101V55-E68 CarbonylContact O-C 3.58Å; V55-E68 VanDerWaalsContact O-CA 3.28Å; V55-E68 WeakPolarHBondContact O-CA 3.46Å; V55-V69 HydrophobicContact CB-CB 3.99Å; V55-V69 HydrophobicContact CB-CG2 3.77Å; V55-V69 HydrophobicContact CG1-CG2 4.07Å; V55-V69 PolarHBondContact O-N 3.2Å; V55-L99 HydrophobicContact CG2-CB 4.01Å; V55-L99 HydrophobicContact CG2-CD1 4.35Å; V55-P101 HydrophobicContact CG2-CB 4.45Å; V55-P101 HydrophobicContact CG2-CG 3.89Å
56Q97.4Very high94.6Very high107 Ų10782.8 Ų82.850%0.545%0.454SS..EExtended strand (participates in β ladder)trans-71.7133.7178.8-59.2-63.6-42.900111.7A54 E68A54-Q56 PolarHBondContact O-N 3.45Å; A54-Q56 VanDerWaalsContact O-N 3.16Å; A54-Q56 PolarHBondContact O-NE2 2.68Å; Q56-E68 VanDerWaalsContact NE2-CD 3.26Å; Q56-E68 VanDerWaalsContact NE2-CG 3.28Å; Q56-E68 PolarHBondContact NE2-OE1 3.41Å
57V97.4Very high94.9Very high44 Ų4484.1 Ų84.127%0.26746%0.46SS..EExtended strand (participates in β ladder)trans-124.9114.1177.5-177.10000109.7L37 V59 F67 V69L37-V57 HydrophobicContact CD1-CG1 4.37Å; L37-V57 HydrophobicContact CD2-CB 4.07Å; L37-V57 HydrophobicContact CD2-CG1 4.25Å; L37-V57 HydrophobicContact CD2-CG2 3.74Å; V57-V59 HydrophobicContact CG1-CG2 4.3Å; V57-V59 PolarHBondContact O-N 3.47Å; V57-F67 HydrophobicContact CB-CB 4.34Å; V57-F67 PolarHBondContact N-O 3.16Å; V57-F67 WeakPolarHBondContact O-CB 3.44Å; V57-F67 PolarHBondContact O-N 2.88Å; V57-V69 HydrophobicContact CG2-CG2 3.96Å
58K97.1Very high95.2Very high203 Ų20383.3 Ų83.388%0.88345%0.454SS*.  trans-88.1101.6172.6-68.6-173178.5-177.10110K60K58-K60 PolarHBondContact O-N 2.82Å
59V97.7Very high95.5Very high44 Ų4482.6 Ų82.627%0.26745%0.451SS..  trans-75.8106.7175.8-179.80000109L37 V57 A61 L62 F67L37-V59 HydrophobicContact CD1-CG2 4.39Å; V57-V59 HydrophobicContact CG1-CG2 4.3Å; V57-V59 PolarHBondContact O-N 3.47Å; V59-A61 PolarHBondContact O-N 2.76Å; V59-L62 HydrophobicContact CB-CB 4.2Å; V59-L62 HydrophobicContact CG1-CB 4.08Å; V59-L62 HydrophobicContact CG1-CD1 4.01Å; V59-L62 HydrophobicContact CG1-CG 4.01Å; V59-L62 CarbonylContact O-C 3.51Å; V59-L62 PolarHBondContact O-N 2.99Å; V59-F67 HydrophobicContact CB-CD2 4.02Å; V59-F67 HydrophobicContact CB-CE2 4.1Å; V59-F67 HydrophobicContact CG2-CB 4.44Å; V59-F67 HydrophobicContact CG2-CD2 3.49Å; V59-F67 VanDerWaalsContact CG2-CD2 3.49Å; V59-F67 HydrophobicContact CG2-CE2 3.9Å; V59-F67 HydrophobicContact CG2-CG 4.04Å
60K97.8Very high95.9Very high204 Ų20480.4 Ų80.489%0.88744%0.436SS*.THydrogen-bonded Turntrans-52.2-36-174.2-174.4-179.1179.4-177.40114K58 L62K58-K60 PolarHBondContact O-N 2.82Å; K60-L62 VanDerWaalsContact C-N 3.32Å
61A98.2Very high96.2Very high89 Ų8978.3 Ų78.374%0.73641%0.413SS*.THydrogen-bonded Turntrans-81.2-9.1-179.100000113.9V59 P63V59-A61 PolarHBondContact O-N 2.76Å; A61-P63 VanDerWaalsContact C-CD 3.47Å
62L97.3Very high96.4Very high89 Ų8974 Ų7447%0.46638%0.384SS..  trans-126.365-179.9-60.2175.2000109.4V59 K60 D64 A65 F67V59-L62 HydrophobicContact CB-CB 4.2Å; V59-L62 HydrophobicContact CG1-CB 4.08Å; V59-L62 HydrophobicContact CG1-CD1 4.01Å; V59-L62 HydrophobicContact CG1-CG 4.01Å; V59-L62 CarbonylContact O-C 3.51Å; V59-L62 PolarHBondContact O-N 2.99Å; K60-L62 VanDerWaalsContact C-N 3.32Å; L62-D64 PolarHBondContact O-N 3.38Å; L62-A65 HydrophobicContact CB-CB 4.4Å; L62-A65 PolarHBondContact O-N 3.48Å; L62-F67 HydrophobicContact CB-CE2 4.09Å; L62-F67 HydrophobicContact CD1-CE2 3.75Å; L62-F67 HydrophobicContact CD1-CZ 3.64Å
63P96.6Very high96.6Very high103 Ų10371.5 Ų71.567%0.66937%0.372SS*.THydrogen-bonded Turntrans-65.1-25-170.327.8-36.3000113.9A61 A65A61-P63 VanDerWaalsContact C-CD 3.47Å; P63-A65 VanDerWaalsContact C-N 3.32Å
64D97.1Very high96.7Very high160 Ų16064.3 Ų64.386%0.85634%0.342SS*.THydrogen-bonded Turntrans-88.71.4-178.2-53.2-48.1000113.1L62L62-D64 PolarHBondContact O-N 3.38Å
65A96.8Very high96.9Very high18 Ų1863.9 Ų63.915%0.14934%0.338CS..  trans-121143178.800000111.3L62 P63 F67L62-A65 HydrophobicContact CB-CB 4.4Å; L62-A65 PolarHBondContact O-N 3.48Å; P63-A65 VanDerWaalsContact C-N 3.32Å; A65-F67 HydrophobicContact CB-CD2 4.45Å; A65-F67 HydrophobicContact CB-CE2 3.64Å; A65-F67 HydrophobicContact CB-CZ 4.06Å
66Q97.1Very high97Very high129 Ų12963.8 Ų63.860%0.60333%0.333SS*.  trans-105.1139.7173.5-67.1-176.7-12.800109.4V40V40-Q66 HydrophobicContact CB-CB 3.93Å; V40-Q66 HydrophobicContact CG2-CB 3.88Å; V40-Q66 PolarHBondContact N-O 3.4Å
67F98.1Very high97Very high32 Ų3258.7 Ų58.714%0.1431%0.309CS..EExtended strand (participates in β ladder)trans-129152.7178.5-64.4-90.6000110.3L37 S38 R39 V57 V59 L62 A65L37-F67 HydrophobicContact CB-CD1 4.42Å; S38-F67 CarbonylContact O-C 3.59Å; S38-F67 VanDerWaalsContact O-CA 3.25Å; S38-F67 WeakPolarHBondContact O-CA 3.33Å; R39-F67 HydrophobicContact CB-CD1 4.19Å; R39-F67 HydrophobicContact CB-CE1 3.99Å; R39-F67 HydrophobicContact CG-CE1 4.38Å; V57-F67 HydrophobicContact CB-CB 4.34Å; V57-F67 PolarHBondContact N-O 3.16Å; V57-F67 WeakPolarHBondContact O-CB 3.44Å; V57-F67 PolarHBondContact O-N 2.88Å; V59-F67 HydrophobicContact CB-CD2 4.02Å; V59-F67 HydrophobicContact CB-CE2 4.1Å; V59-F67 HydrophobicContact CG2-CB 4.44Å; V59-F67 HydrophobicContact CG2-CD2 3.49Å; V59-F67 VanDerWaalsContact CG2-CD2 3.49Å; V59-F67 HydrophobicContact CG2-CE2 3.9Å; V59-F67 HydrophobicContact CG2-CG 4.04Å; L62-F67 HydrophobicContact CB-CE2 4.09Å; L62-F67 HydrophobicContact CD1-CE2 3.75Å; L62-F67 HydrophobicContact CD1-CZ 3.64Å; A65-F67 HydrophobicContact CB-CD2 4.45Å; A65-F67 HydrophobicContact CB-CE2 3.64Å; A65-F67 HydrophobicContact CB-CZ 4.06Å
68E97.3Very high97.1Very high34 Ų3456.9 Ų56.916%0.15930%0.297CS..EExtended strand (participates in β ladder)trans-132.3151.3177.7-76173.1-175.200110L37 S38 V40 A54 V55 Q56L37-E68 CarbonylContact C-O 3.35Å; L37-E68 VanDerWaalsContact CA-O 3.25Å; L37-E68 WeakPolarHBondContact CA-O 3.38Å; S38-E68 PolarHBondContact N-O 3.37Å; S38-E68 PolarHBondContact O-N 3.42Å; V40-E68 HydrophobicContact CG2-CB 4.39Å; V40-E68 VanDerWaalsContact CG2-CD 3.47Å; V40-E68 HydrophobicContact CG2-CG 3.57Å; V40-E68 WeakPolarHBondContact CG2-OE1 3.48Å; A54-E68 HydrophobicContact CB-CB 3.85Å; A54-E68 HydrophobicContact CB-CG 4.07Å; A54-E68 WeakPolarHBondContact CB-OE2 3.1Å; V55-E68 CarbonylContact O-C 3.58Å; V55-E68 VanDerWaalsContact O-CA 3.28Å; V55-E68 WeakPolarHBondContact O-CA 3.46Å; Q56-E68 VanDerWaalsContact NE2-CD 3.26Å; Q56-E68 VanDerWaalsContact NE2-CG 3.28Å; Q56-E68 PolarHBondContact NE2-OE1 3.41Å
69V97.4Very high97.2Very high11 Ų1148.9 Ų48.97%0.06726%0.263CS..EExtended strand (participates in β ladder)trans-69.1135.8167.2178.90000109I36 L37 Q45 V55 V57 L99I36-V69 HydrophobicContact CD1-CG1 4.2Å; I36-V69 WeakPolarHBondContact O-CA 3.37Å; L37-V69 HydrophobicContact CD2-CG2 4.32Å; Q45-V69 PolarHBondContact NE2-O 3.16Å; V55-V69 HydrophobicContact CB-CB 3.99Å; V55-V69 HydrophobicContact CB-CG2 3.77Å; V55-V69 HydrophobicContact CG1-CG2 4.07Å; V55-V69 PolarHBondContact O-N 3.2Å; V57-V69 HydrophobicContact CG2-CG2 3.96Å; V69-L99 HydrophobicContact CG1-CB 3.99Å; V69-L99 HydrophobicContact CG1-CD1 4.32Å; V69-L99 HydrophobicContact CG1-CG 4.15Å; V69-L99 HydrophobicContact CG2-CD1 4.46Å
70V96.7Very high97.2Very high3 Ų347.5 Ų47.52%0.01825%0.254CS..  trans-63.1138.6179.5-61.10000112.1I36 L73 A98I36-V70 PolarHBondContact O-N 3.08Å; I36-V70 VanDerWaalsContact O-N 3.15Å; V70-L73 HydrophobicContact CB-CD2 4.13Å; V70-L73 HydrophobicContact CG1-CD2 3.95Å; V70-L73 HydrophobicContact CG2-CD2 4.1Å; V70-A98 VanDerWaalsContact O-CA 3.27Å; V70-A98 WeakPolarHBondContact O-CA 3.22Å; V70-A98 WeakPolarHBondContact O-CB 3.31Å
71H94.7Very high97.3Very high4 Ų437.8 Ų37.82%0.01921%0.212CC..SBendtrans-86.5-31.5170.2-75.3165.3000112.9D46 L48 A54 A98 L99 R100D46-H71 HydrophobicContact CB-CB 4.34Å; D46-H71 PolarHBondContact O-ND1 2.97Å; L48-H71 HydrophobicContact CD1-CB 4.07Å; L48-H71 HydrophobicContact CD2-CB 4.4Å; L48-H71 HydrophobicContact CG-CB 4.1Å; A54-H71 VanDerWaalsContact CA-NE2 3.29Å; A54-H71 WeakPolarHBondContact CA-NE2 3.4Å; A54-H71 WeakPolarHBondContact CB-NE2 3.26Å; H71-A98 VanDerWaalsContact O-CB 3.3Å; H71-A98 WeakPolarHBondContact O-CB 3.29Å; H71-L99 PolarHBondContact CD2-O 2.95Å; H71-R100 PolarHBondContact O-NE 3.1Å; H71-R100 PolarHBondContact O-NH2 3.46Å
72S93.8Very high97.3Very high7 Ų734.1 Ų34.15%0.04918%0.184CC..  trans-164.1178.8165.581.30000107.7D46 A74D46-S72 WeakPolarHBondContact CB-OG 3.4Å; D46-S72 VanDerWaalsContact CG-OG 3.26Å; D46-S72 WeakPolarHBondContact OD2-CB 3.34Å; D46-S72 PolarHBondContact OD2-OG 2.88Å; S72-A74 WeakPolarHBondContact OG-CB 3.38Å; S72-A74 PolarHBondContact OG-N 3.12Å
73L97.5Very high97.3Very high3 Ų335.7 Ų35.72%0.01619%0.188CC..  trans-107.322.5176.1-57.9173.6000112.3A34 P35 V70 K75 W76 K77 T94 M96 D118A34-L73 HydrophobicContact CB-CD1 3.49Å; A34-L73 VanDerWaalsContact CB-CD1 3.49Å; P35-L73 HydrophobicContact CG-CD2 3.57Å; V70-L73 HydrophobicContact CB-CD2 4.13Å; V70-L73 HydrophobicContact CG1-CD2 3.95Å; V70-L73 HydrophobicContact CG2-CD2 4.1Å; L73-K75 VanDerWaalsContact C-N 3.3Å; L73-K75 PolarHBondContact O-N 2.87Å; L73-K75 VanDerWaalsContact O-N 3.14Å; L73-W76 HydrophobicContact CB-CB 4.21Å; L73-W76 HydrophobicContact CB-CE3 3.94Å; L73-W76 HydrophobicContact CD1-CE3 4.02Å; L73-W76 HydrophobicContact CD1-CZ3 4.27Å; L73-W76 HydrophobicContact CD2-CB 4.29Å; L73-W76 HydrophobicContact CD2-CG 4.44Å; L73-W76 HydrophobicContact CG-CE3 4.4Å; L73-W76 PolarHBondContact O-N 3.32Å; L73-W76 VanDerWaalsContact O-N 3.13Å; L73-K77 HydrophobicContact CB-CG 4.1Å; L73-K77 WeakPolarHBondContact O-CE 3.45Å; L73-K77 VanDerWaalsContact O-CG 3.32Å; L73-K77 WeakPolarHBondContact O-CG 3.28Å; L73-K77 PolarHBondContact O-N 2.89Å; L73-T94 HydrophobicContact CD1-CG2 3.61Å; L73-M96 HydrophobicContact CD1-CB 4.23Å; L73-M96 HydrophobicContact CD1-CG 3.78Å; L73-M96 HydrophobicContact CG-CG 3.73Å; L73-D118 WeakPolarHBondContact CA-OD2 3.39Å; L73-D118 VanDerWaalsContact CB-OD2 3.26Å; L73-D118 WeakPolarHBondContact CB-OD2 3.18Å; L73-D118 PolarHBondContact N-OD2 3.43Å
74A94.2Very high97.4Very high6 Ų636.8 Ų36.85%0.0518%0.184CC..Hα-helixtrans-45.2-50.3-174.100000113.6S72 Y218S72-A74 WeakPolarHBondContact OG-CB 3.38Å; S72-A74 PolarHBondContact OG-N 3.12Å; A74-Y218 HydrophobicContact CB-CD1 3.83Å; A74-Y218 HydrophobicContact CB-CD2 4.18Å; A74-Y218 HydrophobicContact CB-CE1 4.08Å; A74-Y218 HydrophobicContact CB-CE2 4.46Å; A74-Y218 HydrophobicContact CB-CG 3.88Å
75K98Very high97.4Very high0 Ų035.8 Ų35.80%018%0.179CC..Hα-helixtrans-84.2-34.9-179.6-73-176.7-71.9-1720113.5G43 T44 Q45 N47 L73 K77 R78 Q79 D217 Y218 W278G43-K75 WeakPolarHBondContact O-CD 3.28Å; G43-K75 WeakPolarHBondContact O-CE 3.5Å; G43-K75 PolarHBondContact O-NZ 2.78Å; T44-K75 WeakPolarHBondContact O-CB 3.27Å; Q45-K75 WeakPolarHBondContact O-CE 3.43Å; Q45-K75 PolarHBondContact O-NZ 2.86Å; N47-K75 PolarHBondContact OD1-NZ 2.7Å; L73-K75 VanDerWaalsContact C-N 3.3Å; L73-K75 PolarHBondContact O-N 2.87Å; L73-K75 VanDerWaalsContact O-N 3.14Å; K75-K77 PolarHBondContact O-N 2.89Å; K75-R78 PolarHBondContact O-N 3.2Å; K75-Q79 PolarHBondContact O-N 3.07Å; K75-D217 HydrophobicContact CD-CB 4.36Å; K75-D217 WeakPolarHBondContact CE-OD2 3.31Å; K75-D217 IonicContact NZ-OD2 3.86Å; K75-D217 PolarHBondContact NZ-OD2 3.21Å; K75-Y218 HydrophobicContact CG-CD1 4.44Å; K75-W278 HydrophobicContact CB-CD2 4.1Å; K75-W278 HydrophobicContact CB-CG 4.47Å; K75-W278 HydrophobicContact CB-CH2 4.48Å; K75-W278 HydrophobicContact CB-CZ2 3.8Å; K75-W278 HydrophobicContact CD-CD2 3.97Å; K75-W278 HydrophobicContact CD-CE3 3.85Å; K75-W278 HydrophobicContact CD-CH2 4.18Å; K75-W278 HydrophobicContact CD-CZ2 4.28Å; K75-W278 HydrophobicContact CD-CZ3 3.96Å; K75-W278 HydrophobicContact CG-CD2 4.18Å; K75-W278 HydrophobicContact CG-CE3 4.33Å; K75-W278 HydrophobicContact CG-CH2 3.9Å; K75-W278 HydrophobicContact CG-CZ2 3.7Å; K75-W278 HydrophobicContact CG-CZ3 4.21Å; K75-W278 PolarHBondContact O-NE1 3.02Å
76W98.5Very high97.5Very high49 Ų4937.1 Ų37.119%0.18618%0.181CC..Hα-helixtrans-57.8-46.8178.5172.883.5000112V32 Q33 P35 L73 R78 Q79 T80 L92V32-W76 HydrophobicContact CG2-CH2 3.91Å; V32-W76 HydrophobicContact CG2-CZ3 4.2Å; Q33-W76 VanDerWaalsContact O-CH2 3.29Å; Q33-W76 WeakPolarHBondContact O-CH2 3.18Å; P35-W76 HydrophobicContact CG-CD2 4.08Å; P35-W76 HydrophobicContact CG-CG 4.09Å; L73-W76 HydrophobicContact CB-CB 4.21Å; L73-W76 HydrophobicContact CB-CE3 3.94Å; L73-W76 HydrophobicContact CD1-CE3 4.02Å; L73-W76 HydrophobicContact CD1-CZ3 4.27Å; L73-W76 HydrophobicContact CD2-CB 4.29Å; L73-W76 HydrophobicContact CD2-CG 4.44Å; L73-W76 HydrophobicContact CG-CE3 4.4Å; L73-W76 PolarHBondContact O-N 3.32Å; L73-W76 VanDerWaalsContact O-N 3.13Å; W76-R78 VanDerWaalsContact C-N 3.33Å; W76-R78 PolarHBondContact O-N 3.04Å; W76-Q79 WeakPolarHBondContact O-CB 3.38Å; W76-Q79 PolarHBondContact O-N 3.49Å; W76-Q79 VanDerWaalsContact O-N 3.14Å; W76-T80 VanDerWaalsContact CE2-OG1 3.28Å; W76-T80 HydrophobicContact CH2-CG2 4.5Å; W76-T80 HydrophobicContact CZ2-CG2 4.41Å; W76-T80 WeakPolarHBondContact CZ2-OG1 3.3Å; W76-T80 PolarHBondContact O-N 3Å; W76-T80 PolarHBondContact O-OG1 2.73Å; W76-T80 VanDerWaalsContact O-OG1 3.09Å; W76-L92 HydrophobicContact CZ3-CD1 4.4Å
77K98.6Very high97.6Very high0 Ų034.3 Ų34.30%018%0.176CC..Hα-helixtrans-58-45-175.8-64173.5-66.2167.50112.2L73 K75 T80 L81 L92 D118 W119 E120 G293L73-K77 HydrophobicContact CB-CG 4.1Å; L73-K77 WeakPolarHBondContact O-CE 3.45Å; L73-K77 VanDerWaalsContact O-CG 3.32Å; L73-K77 WeakPolarHBondContact O-CG 3.28Å; L73-K77 PolarHBondContact O-N 2.89Å; K75-K77 PolarHBondContact O-N 2.89Å; K77-T80 WeakPolarHBondContact O-CB 3.2Å; K77-T80 PolarHBondContact O-N 3.21Å; K77-L81 WeakPolarHBondContact O-CG 3.49Å; K77-L81 PolarHBondContact O-N 2.71Å; K77-L92 HydrophobicContact CB-CD1 3.91Å; K77-L92 HydrophobicContact CD-CD1 4.16Å; K77-L92 HydrophobicContact CG-CD1 3.75Å; K77-D118 HydrophobicContact CD-CB 4.24Å; K77-D118 WeakPolarHBondContact CE-OD1 3.5Å; K77-D118 IonicContact NZ-OD1 3.95Å; K77-D118 PolarHBondContact NZ-OD1 2.98Å; K77-W119 PolarHBondContact NZ-O 3.41Å; K77-E120 HydrophobicContact CB-CB 3.59Å; K77-E120 HydrophobicContact CB-CG 3.99Å; K77-E120 HydrophobicContact CD-CB 4.08Å; K77-E120 VanDerWaalsContact CE-OE2 3.27Å; K77-E120 WeakPolarHBondContact CE-OE2 3.46Å; K77-E120 HydrophobicContact CG-CB 4.4Å; K77-E120 IonicContact NZ-OE2 3.52Å; K77-E120 PolarHBondContact NZ-OE2 2.95Å; K77-E120 VanDerWaalsContact NZ-OE2 3.07Å; K77-G293 PolarHBondContact NZ-O 3.41Å
78R98.7Very high97.6Very high7 Ų735.8 Ų35.83%0.02620%0.195CC..Hα-helixtrans-65.4-40.1179.6-173.2176.6-173.4178.14.7112K75 W76 T80 L81 G82 R255 V256 M287 P288 T290K75-R78 PolarHBondContact O-N 3.2Å; W76-R78 VanDerWaalsContact C-N 3.33Å; W76-R78 PolarHBondContact O-N 3.04Å; R78-T80 VanDerWaalsContact C-N 3.34Å; R78-L81 PolarHBondContact O-N 3.46Å; R78-G82 PolarHBondContact O-N 3.43Å; R78-R255 VanDerWaalsContact NH1-CB 3.34Å; R78-V256 PolarHBondContact NH1-O 2.8Å; R78-V256 PolarHBondContact NH2-O 3.06Å; R78-M287 HydrophobicContact CB-SD 4.49Å; R78-M287 HydrophobicContact CG-CB 4.21Å; R78-M287 HydrophobicContact CG-SD 4.14Å; R78-P288 VanDerWaalsContact CZ-O 3.27Å; R78-P288 PolarHBondContact NE-O 2.86Å; R78-P288 PolarHBondContact NH2-O 3.48Å; R78-T290 WeakPolarHBondContact CD-OG1 3.5Å; R78-T290 HydrophobicContact CG-CG2 3.95Å
79Q98.4Very high97.6Very high34 Ų3435.9 Ų35.916%0.15920%0.204CC..Hα-helixtrans-61.8-43.4174.4-171.6-178.919.300111.1T44 K75 W76 L81 G82 Q83 M287T44-Q79 VanDerWaalsContact CG2-OE1 3.3Å; K75-Q79 PolarHBondContact O-N 3.07Å; W76-Q79 WeakPolarHBondContact O-CB 3.38Å; W76-Q79 PolarHBondContact O-N 3.49Å; W76-Q79 VanDerWaalsContact O-N 3.14Å; Q79-L81 PolarHBondContact O-N 3.46Å; Q79-G82 PolarHBondContact O-N 3.45Å; Q79-Q83 HydrophobicContact CG-CG 4.36Å; Q79-Q83 WeakPolarHBondContact O-CB 3.47Å; Q79-Q83 WeakPolarHBondContact O-CG 3.15Å; Q79-Q83 PolarHBondContact O-N 3.23Å; Q79-M287 HydrophobicContact CB-SD 4.01Å
80T98.7Very high97.7Very high15 Ų1540 Ų409%0.09222%0.223CC..Hα-helixtrans-61.2-43.1177.4-57.40000112.4W76 K77 R78 G82 Q83 H84 L92W76-T80 VanDerWaalsContact CE2-OG1 3.28Å; W76-T80 HydrophobicContact CH2-CG2 4.5Å; W76-T80 HydrophobicContact CZ2-CG2 4.41Å; W76-T80 WeakPolarHBondContact CZ2-OG1 3.3Å; W76-T80 PolarHBondContact O-N 3Å; W76-T80 PolarHBondContact O-OG1 2.73Å; W76-T80 VanDerWaalsContact O-OG1 3.09Å; K77-T80 WeakPolarHBondContact O-CB 3.2Å; K77-T80 PolarHBondContact O-N 3.21Å; R78-T80 VanDerWaalsContact C-N 3.34Å; T80-G82 VanDerWaalsContact C-N 3.31Å; T80-G82 PolarHBondContact O-N 2.88Å; T80-Q83 PolarHBondContact O-N 3.25Å; T80-H84 PolarHBondContact O-CD2 2.9Å; T80-H84 PolarHBondContact O-N 3.29Å; T80-L92 HydrophobicContact CG2-CD2 3.91Å
81L98.7Very high97.8Very high0 Ų039.9 Ų39.90%022%0.222CC..Hα-helixtrans-60.9-40.5176.8-67.9172.8000111.9K77 R78 Q79 D85 F86 L92 E120 V122 P288 T290K77-L81 WeakPolarHBondContact O-CG 3.49Å; K77-L81 PolarHBondContact O-N 2.71Å; R78-L81 PolarHBondContact O-N 3.46Å; Q79-L81 PolarHBondContact O-N 3.46Å; L81-D85 PolarHBondContact O-N 3.2Å; L81-F86 HydrophobicContact CB-CB 4.32Å; L81-F86 HydrophobicContact CD2-CB 3.71Å; L81-F86 HydrophobicContact CD2-CD1 3.49Å; L81-F86 VanDerWaalsContact CD2-CD1 3.49Å; L81-F86 HydrophobicContact CD2-CD2 3.78Å; L81-F86 HydrophobicContact CD2-CE1 3.98Å; L81-F86 HydrophobicContact CD2-CE2 4.23Å; L81-F86 HydrophobicContact CD2-CG 3.38Å; L81-F86 HydrophobicContact CD2-CZ 4.32Å; L81-F86 PolarHBondContact O-N 3.07Å; L81-F86 VanDerWaalsContact O-N 3.12Å; L81-L92 HydrophobicContact CD2-CD2 3.72Å; L81-L92 HydrophobicContact CD2-CG 3.99Å; L81-L92 HydrophobicContact CG-CD2 3.96Å; L81-L92 HydrophobicContact CG-CG 4.36Å; L81-E120 HydrophobicContact CD1-CB 3.78Å; L81-E120 HydrophobicContact CD1-CG 3.63Å; L81-V122 HydrophobicContact CB-CG2 4.07Å; L81-V122 HydrophobicContact CD1-CG2 3.95Å; L81-V122 HydrophobicContact CD2-CG2 4.29Å; L81-V122 HydrophobicContact CG-CG2 4.33Å; L81-P288 HydrophobicContact CB-CG 4.19Å; L81-T290 HydrophobicContact CD1-CG2 3.8Å
82G98.2Very high98Very high13 Ų1339.7 Ų39.713%0.13422%0.222CC..Hα-helixtrans-69.8-42.3175.700000113.7R78 Q79 T80 H84 D85 P288R78-G82 PolarHBondContact O-N 3.43Å; Q79-G82 PolarHBondContact O-N 3.45Å; T80-G82 VanDerWaalsContact C-N 3.31Å; T80-G82 PolarHBondContact O-N 2.88Å; G82-H84 PolarHBondContact O-N 3.24Å; G82-H84 VanDerWaalsContact O-N 3.16Å; G82-D85 PolarHBondContact O-N 2.84Å; G82-P288 VanDerWaalsContact CA-CD 3.49Å
83Q98Very high98.2Very high121 Ų12139.5 Ų39.557%0.56522%0.22SC*.Hα-helixtrans-63.2-21.4178.7-76.8176.5-11.600114Q79 T80Q79-Q83 HydrophobicContact CG-CG 4.36Å; Q79-Q83 WeakPolarHBondContact O-CB 3.47Å; Q79-Q83 WeakPolarHBondContact O-CG 3.15Å; Q79-Q83 PolarHBondContact O-N 3.23Å; T80-Q83 PolarHBondContact O-N 3.25Å
84H98.5Very high98.3Very high126 Ų12639.6 Ų39.658%0.58322%0.22SC*.THydrogen-bonded Turntrans-118.813-176.9-66.1-57.3000113.7T80 G82 F86T80-H84 PolarHBondContact O-CD2 2.9Å; T80-H84 PolarHBondContact O-N 3.29Å; G82-H84 PolarHBondContact O-N 3.24Å; G82-H84 VanDerWaalsContact O-N 3.16Å; H84-F86 VanDerWaalsContact C-N 3.32Å; H84-F86 HydrophobicContact CB-CD2 3.93Å; H84-F86 HydrophobicContact CB-CE2 3.82Å; H84-F86 PolarHBondContact O-N 3.4Å
85D98.2Very high98.5Very high140 Ų14042 Ų4275%0.74923%0.231SC*.THydrogen-bonded Turntrans50.345.3174.6-65.3-42.9000114.2L81 G82 S87L81-D85 PolarHBondContact O-N 3.2Å; G82-D85 PolarHBondContact O-N 2.84Å; D85-S87 PolarHBondContact O-N 2.89Å
86F98.7Very high98.5Very high45 Ų4542 Ų4220%0.19723%0.231CC..PPolyproline II helixtrans-60.2138172.4-83.7-114.6000110.4I30 L81 H84 E90 V122I30-F86 HydrophobicContact CD1-CE1 4.08Å; I30-F86 HydrophobicContact CD1-CZ 4.07Å; I30-F86 HydrophobicContact CG1-CE1 4.32Å; L81-F86 HydrophobicContact CB-CB 4.32Å; L81-F86 HydrophobicContact CD2-CB 3.71Å; L81-F86 HydrophobicContact CD2-CD1 3.49Å; L81-F86 VanDerWaalsContact CD2-CD1 3.49Å; L81-F86 HydrophobicContact CD2-CD2 3.78Å; L81-F86 HydrophobicContact CD2-CE1 3.98Å; L81-F86 HydrophobicContact CD2-CE2 4.23Å; L81-F86 HydrophobicContact CD2-CG 3.38Å; L81-F86 HydrophobicContact CD2-CZ 4.32Å; L81-F86 PolarHBondContact O-N 3.07Å; L81-F86 VanDerWaalsContact O-N 3.12Å; H84-F86 VanDerWaalsContact C-N 3.32Å; H84-F86 HydrophobicContact CB-CD2 3.93Å; H84-F86 HydrophobicContact CB-CE2 3.82Å; H84-F86 PolarHBondContact O-N 3.4Å; F86-E90 HydrophobicContact CD1-CB 3.97Å; F86-V122 HydrophobicContact CB-CG2 3.71Å
87S98.4Very high98.5Very high70 Ų7045.4 Ų45.449%0.4925%0.246SC..PPolyproline II helixtrans-87.6162.9-177.4-64.50000112.6D85 G89 E90 V122D85-S87 PolarHBondContact O-N 2.89Å; S87-G89 PolarHBondContact O-N 3.06Å; S87-E90 WeakPolarHBondContact CB-OE2 3.48Å; S87-E90 PolarHBondContact N-OE2 3.46Å; S87-E90 VanDerWaalsContact O-CB 3.29Å; S87-E90 WeakPolarHBondContact O-CB 3.17Å; S87-E90 PolarHBondContact O-N 3.32Å; S87-V122 WeakPolarHBondContact O-CB 3.39Å
88A98.4Very high98.5Very high64 Ų6445.4 Ų45.453%0.52925%0.247SC..THydrogen-bonded Turntrans-53.6130.1176.600000112.2E90A88-E90 VanDerWaalsContact C-N 3.3Å
89G98.2Very high98.4Very high35 Ų3548.2 Ų48.236%0.36126%0.262SS..THydrogen-bonded Turntrans88.5-14.2-175.600000114.6S87 V122S87-G89 PolarHBondContact O-N 3.06Å; G89-V122 PolarHBondContact N-O 3.15Å
90E98.5Very high98.3Very high98 Ų9849.2 Ų49.246%0.45826%0.264SS..  trans-89.9155174.1-54.5180148.400110.8F86 S87 A88 R121 V122F86-E90 HydrophobicContact CD1-CB 3.97Å; S87-E90 WeakPolarHBondContact CB-OE2 3.48Å; S87-E90 PolarHBondContact N-OE2 3.46Å; S87-E90 VanDerWaalsContact O-CB 3.29Å; S87-E90 WeakPolarHBondContact O-CB 3.17Å; S87-E90 PolarHBondContact O-N 3.32Å; A88-E90 VanDerWaalsContact C-N 3.3Å; E90-R121 WeakPolarHBondContact O-CG 3.41Å; E90-V122 PolarHBondContact O-N 2.86Å
91G98.8Very high98.1Very high1 Ų151.1 Ų51.11%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-168.6-175.5178.600000113.5I30 E120I30-G91 PolarHBondContact N-O 3.46Å; I30-G91 VanDerWaalsContact N-O 3.09Å; G91-E120 CarbonylContact C-O 3.52Å; G91-E120 WeakPolarHBondContact CA-O 3.3Å
92L98.9Very high98Very high0 Ų054.9 Ų54.90%030%0.297CS..EExtended strand (participates in β ladder)trans-129.5156.1-18062.381.9000111.1I30 V32 W76 K77 T80 L81 W119 E120I30-L92 CarbonylContact O-C 3.55Å; I30-L92 VanDerWaalsContact O-CA 3.3Å; I30-L92 WeakPolarHBondContact O-CA 3.2Å; V32-L92 HydrophobicContact CB-CB 4.49Å; V32-L92 HydrophobicContact CG1-CB 3.78Å; V32-L92 HydrophobicContact CG2-CB 3.88Å; V32-L92 HydrophobicContact CG2-CD1 3.87Å; V32-L92 HydrophobicContact CG2-CD2 4.14Å; V32-L92 HydrophobicContact CG2-CG 4.18Å; W76-L92 HydrophobicContact CZ3-CD1 4.4Å; K77-L92 HydrophobicContact CB-CD1 3.91Å; K77-L92 HydrophobicContact CD-CD1 4.16Å; K77-L92 HydrophobicContact CG-CD1 3.75Å; T80-L92 HydrophobicContact CG2-CD2 3.91Å; L81-L92 HydrophobicContact CD2-CD2 3.72Å; L81-L92 HydrophobicContact CD2-CG 3.99Å; L81-L92 HydrophobicContact CG-CD2 3.96Å; L81-L92 HydrophobicContact CG-CG 4.36Å; L92-W119 CarbonylContact O-C 3.51Å; L92-W119 VanDerWaalsContact O-CA 3.27Å; L92-W119 WeakPolarHBondContact O-CA 3.36Å; L92-E120 HydrophobicContact CD1-CB 4.48Å; L92-E120 PolarHBondContact N-O 2.91Å; L92-E120 PolarHBondContact O-N 3.13Å
93Y98.9Very high97.6Very high3 Ų357.2 Ų57.21%0.01231%0.305CS..EExtended strand (participates in β ladder)trans-134161.7159.181.4-79.9000109.9E24 L29 I30 E31 V32 W117 D118E24-Y93 HydrophobicContact CG-CD1 4.27Å; E24-Y93 HydrophobicContact CG-CE1 3.43Å; E24-Y93 VanDerWaalsContact CG-CE1 3.43Å; E24-Y93 VanDerWaalsContact OE1-CE1 3.31Å; E24-Y93 WeakPolarHBondContact OE1-CE1 3.35Å; E24-Y93 PolarHBondContact OE1-OH 2.94Å; L29-Y93 HydrophobicContact CB-CD1 3.98Å; I30-Y93 PolarHBondContact O-N 3.44Å; E31-Y93 CarbonylContact C-O 3.5Å; E31-Y93 WeakPolarHBondContact CA-O 3.42Å; E31-Y93 HydrophobicContact CB-CD1 4.47Å; E31-Y93 HydrophobicContact CB-CE1 3.71Å; E31-Y93 HydrophobicContact CB-CE2 4.34Å; E31-Y93 HydrophobicContact CG-CE1 4.39Å; E31-Y93 HydrophobicContact CG-CE2 4.14Å; V32-Y93 PolarHBondContact N-O 3.44Å; Y93-W117 AromaticContact CD2-CD1 3.96Å; Y93-D118 CarbonylContact C-O 3.5Å; Y93-D118 VanDerWaalsContact CA-O 3.3Å; Y93-D118 WeakPolarHBondContact CA-O 3.5Å
94T98.8Very high97.3Very high4 Ų459.5 Ų59.53%0.02532%0.32CS..EExtended strand (participates in β ladder)trans-144.5155174.1-168.30000112V32 A34 L73 M96 Q116 D118V32-T94 WeakPolarHBondContact O-CB 3.46Å; V32-T94 PolarHBondContact O-OG1 3.46Å; A34-T94 HydrophobicContact CB-CG2 3.77Å; A34-T94 WeakPolarHBondContact CB-OG1 3.15Å; L73-T94 HydrophobicContact CD1-CG2 3.61Å; T94-M96 HydrophobicContact CG2-CB 4.25Å; T94-M96 PolarHBondContact O-N 2.99Å; T94-Q116 VanDerWaalsContact O-O 3.08Å; T94-D118 HydrophobicContact CG2-CB 4.13Å; T94-D118 PolarHBondContact N-O 2.91Å; T94-D118 PolarHBondContact O-N 2.86Å
95H98.6Very high97.1Very high58 Ų5862.6 Ų62.627%0.26933%0.327SS..EExtended strand (participates in β ladder)trans-80.372.6170.6-72.8-66.8000110.4S20 E31 W117 Q297S20-H95 PolarHBondContact OG-CE1 2.98Å; S20-H95 PolarHBondContact OG-NE2 3.38Å; E31-H95 IonicContact OE1-CD2 3.87Å; E31-H95 PolarHBondContact OE1-CD2 3.31Å; H95-W117 AromaticContact CE1-CD1 3.89Å; H95-W117 AromaticContact CE1-NE1 3.52Å; H95-Q297 PolarHBondContact ND1-NE2 3.42Å
96M98.4Very high97Very high0 Ų058 Ų580%030%0.302CS..EExtended strand (participates in β ladder)trans-63.7141.5-177.6-169.6-79.2-71.900111.4L73 T94 A98 V114 D115 Q116 D118L73-M96 HydrophobicContact CD1-CB 4.23Å; L73-M96 HydrophobicContact CD1-CG 3.78Å; L73-M96 HydrophobicContact CG-CG 3.73Å; T94-M96 HydrophobicContact CG2-CB 4.25Å; T94-M96 PolarHBondContact O-N 2.99Å; M96-A98 HydrophobicContact CE-CB 4.09Å; M96-A98 HydrophobicContact SD-CB 3.52Å; M96-A98 VanDerWaalsContact SD-CB 3.52Å; M96-V114 HydrophobicContact CE-CG1 4.5Å; M96-D115 VanDerWaalsContact O-CA 3.29Å; M96-D115 WeakPolarHBondContact O-CA 3.23Å; M96-Q116 HydrophobicContact CB-CB 4.35Å; M96-Q116 HydrophobicContact CE-CB 3.73Å; M96-Q116 HydrophobicContact CE-CG 3.57Å; M96-Q116 PolarHBondContact N-O 3.5Å; M96-Q116 PolarHBondContact O-N 2.89Å; M96-Q116 VanDerWaalsContact O-N 3.11Å; M96-D118 HydrophobicContact CB-CB 3.61Å; M96-D118 HydrophobicContact CG-CB 4.18Å
97K98.4Very high96.9Very high119 Ų11956.6 Ų56.652%0.51730%0.298SS..EExtended strand (participates in β ladder)trans-130.5127173-64.2-178.6-174.7170.80108.7I36 Y113I36-K97 HydrophobicContact CD1-CB 4.17Å; I36-K97 WeakPolarHBondContact CD1-O 3.29Å; K97-Y113 HydrophobicContact CB-CE2 3.94Å; K97-Y113 HydrophobicContact CD-CE2 4.42Å; K97-Y113 HydrophobicContact CG-CE2 4Å
98A97.6Very high96.9Very high1 Ų155.7 Ų55.71%0.00829%0.29CS..EExtended strand (participates in β ladder)trans-131.3157.3179.900000110.9V70 H71 M96 Y113 V114V70-A98 VanDerWaalsContact O-CA 3.27Å; V70-A98 WeakPolarHBondContact O-CA 3.22Å; V70-A98 WeakPolarHBondContact O-CB 3.31Å; H71-A98 VanDerWaalsContact O-CB 3.3Å; H71-A98 WeakPolarHBondContact O-CB 3.29Å; M96-A98 HydrophobicContact CE-CB 4.09Å; M96-A98 HydrophobicContact SD-CB 3.52Å; M96-A98 VanDerWaalsContact SD-CB 3.52Å; A98-Y113 WeakPolarHBondContact O-CD2 3.48Å; A98-V114 HydrophobicContact CB-CB 4.25Å; A98-V114 PolarHBondContact N-O 3Å; A98-V114 PolarHBondContact O-N 2.79Å
99L97.3Very high96.9Very high66 Ų6654 Ų5435%0.34627%0.273SS..EExtended strand (participates in β ladder)trans-117.1118.6168.2-66.5175.9000108.6V55 V69 H71 P101 V112V55-L99 HydrophobicContact CG2-CB 4.01Å; V55-L99 HydrophobicContact CG2-CD1 4.35Å; V69-L99 HydrophobicContact CG1-CB 3.99Å; V69-L99 HydrophobicContact CG1-CD1 4.32Å; V69-L99 HydrophobicContact CG1-CG 4.15Å; V69-L99 HydrophobicContact CG2-CD1 4.46Å; H71-L99 PolarHBondContact CD2-O 2.95Å; L99-P101 VanDerWaalsContact O-CD 3.26Å; L99-P101 WeakPolarHBondContact O-CD 3.12Å; L99-V112 CarbonylContact C-O 3.53Å; L99-V112 WeakPolarHBondContact CA-O 3.41Å; L99-V112 HydrophobicContact CD2-CG1 4.44Å
100R96.4Very high96.8Very high54 Ų5455 Ų5520%0.20427%0.267CS..  trans-111.582.9175.2-62.2-168.4-174.1-178.1-7.5108.9H71 D102 V112 V114H71-R100 PolarHBondContact O-NE 3.1Å; H71-R100 PolarHBondContact O-NH2 3.46Å; R100-D102 VanDerWaalsContact C-N 3.26Å; R100-D102 PolarHBondContact O-N 3.08Å; R100-V112 PolarHBondContact N-O 2.83Å; R100-V114 HydrophobicContact CB-CG2 4.34Å; R100-V114 HydrophobicContact CG-CG2 3.95Å
101P95.4Very high96.8Very high55 Ų5550.5 Ų50.536%0.35725%0.247SC..THydrogen-bonded Turntrans-71.3-21.3-173.130.6-37.1000113.5K53 V55 L99 E103K53-P101 WeakPolarHBondContact O-CG 3.29Å; V55-P101 HydrophobicContact CG2-CB 4.45Å; V55-P101 HydrophobicContact CG2-CG 3.89Å; L99-P101 VanDerWaalsContact O-CD 3.26Å; L99-P101 WeakPolarHBondContact O-CD 3.12Å; P101-E103 VanDerWaalsContact C-N 3.31Å; P101-E103 PolarHBondContact O-N 2.79Å
102D94.8Very high96.8Very high79 Ų7952 Ų5242%0.42226%0.256SS..THydrogen-bonded Turntrans-92.217.6-174.7-72-10.4000113.3E52 K53 R100 D104E52-D102 HydrophobicContact CB-CB 4.39Å; K53-D102 PolarHBondContact N-OD2 2.99Å; R100-D102 VanDerWaalsContact C-N 3.26Å; R100-D102 PolarHBondContact O-N 3.08Å; D102-D104 PolarHBondContact O-N 2.98Å; D102-D104 VanDerWaalsContact O-N 3.13Å
103E91.5Very high96.8Very high63 Ų6354.8 Ų54.829%0.29427%0.267SS..  trans-60.4115.7174.6-168.271.8-132.800110.5P101 R105 L106 H110P101-E103 VanDerWaalsContact C-N 3.31Å; P101-E103 PolarHBondContact O-N 2.79Å; E103-R105 PolarHBondContact O-N 2.84Å; E103-R105 VanDerWaalsContact O-N 3.15Å; E103-L106 HydrophobicContact CB-CD2 4.08Å; E103-L106 HydrophobicContact CG-CD2 4.08Å; E103-H110 HydrophobicContact CG-CB 3.86Å; E103-H110 IonicContact OE1-CD2 3.07Å; E103-H110 PolarHBondContact OE1-CD2 3.32Å; E103-H110 IonicContact OE1-CG 2.63Å
104D90.6Very high96.7Very high168 Ų16855.8 Ų55.890%0.89827%0.273SS*.SBendtrans-56.4-36.8-172.7-75.8-45.1000113.2D102D102-D104 PolarHBondContact O-N 2.98Å; D102-D104 VanDerWaalsContact O-N 3.13Å
105R94Very high96.7Very high191 Ų19156 Ų5672%0.72127%0.274SS*.  trans-147.6115.7179.7-172177.368-179.91111.8E103 S107 H110E103-R105 PolarHBondContact O-N 2.84Å; E103-R105 VanDerWaalsContact O-N 3.15Å; R105-S107 PolarHBondContact O-N 3.05Å; R105-H110 WeakPolarHBondContact O-CB 3.44Å
106L96.9Very high96.7Very high44 Ų4454.6 Ų54.623%0.2327%0.268CS..  trans-68.4116.6167.1-53.3-174.7000109.6E103 H110 V112 V317 W318E103-L106 HydrophobicContact CB-CD2 4.08Å; E103-L106 HydrophobicContact CG-CD2 4.08Å; L106-H110 WeakPolarHBondContact CA-O 3.47Å; L106-V112 HydrophobicContact CD1-CG2 4.23Å; L106-V112 HydrophobicContact CD2-CG2 3.85Å; L106-V317 WeakPolarHBondContact CD1-O 3.5Å; L106-W318 HydrophobicContact CB-CE3 4.13Å; L106-W318 HydrophobicContact CB-CZ3 3.97Å
107S97Very high96.8Very high15 Ų1554.6 Ų54.611%0.10527%0.268CS..BIsolated β-bridgetrans-127.2179.1-177.291.70000110R105 L109 H110R105-S107 PolarHBondContact O-N 3.05Å; S107-L109 PolarHBondContact O-N 2.85Å; S107-L109 PolarHBondContact OG-N 2.67Å; S107-L109 VanDerWaalsContact OG-N 3.08Å; S107-H110 PolarHBondContact N-O 2.93Å; S107-H110 PolarHBondContact O-N 2.89Å; S107-H110 VanDerWaalsContact O-N 3.16Å; S107-H110 VanDerWaalsContact O-O 3.13Å; S107-H110 PolarHBondContact OG-ND1 3.43Å
108P98.2Very high96.8Very high51 Ų5149.1 Ų49.133%0.33124%0.244SC..THydrogen-bonded Turntrans-53.5-16.7170.2-27.336.4000114.9L243 M302 P308 I310P108-L243 HydrophobicContact CB-CD2 4.14Å; P108-M302 WeakPolarHBondContact O-CE 3.38Å; P108-P308 WeakPolarHBondContact CB-O 3.37Å; P108-I310 VanDerWaalsContact O-CB 3.25Å; P108-I310 WeakPolarHBondContact O-CB 3.46Å; P108-I310 WeakPolarHBondContact O-CG2 3.48Å; P108-I310 PolarHBondContact O-N 3.23Å
109L97.4Very high96.8Very high30 Ų3049.1 Ų49.116%0.15724%0.244CC..THydrogen-bonded Turntrans-109.5-19-178.4-58.3-178.3000114.7S107 L243 F247 R299 M302S107-L109 PolarHBondContact O-N 2.85Å; S107-L109 PolarHBondContact OG-N 2.67Å; S107-L109 VanDerWaalsContact OG-N 3.08Å; L109-L243 HydrophobicContact CD2-CD1 3.38Å; L109-L243 HydrophobicContact CG-CD1 4.15Å; L109-F247 HydrophobicContact CD2-CD2 3.33Å; L109-F247 HydrophobicContact CD2-CE2 3.11Å; L109-F247 HydrophobicContact CD2-CG 4.42Å; L109-F247 HydrophobicContact CD2-CZ 4.07Å; L109-R299 PolarHBondContact O-NE 2.76Å; L109-R299 PolarHBondContact O-NH2 3.12Å; L109-M302 HydrophobicContact CD2-CE 4.46Å
110H97.7Very high96.9Very high54 Ų5446 Ų4625%0.2523%0.227CC..BIsolated β-bridgetrans-121.3124.9-168.1-57.890.1000110.4E103 R105 L106 S107 R299 W318E103-H110 HydrophobicContact CG-CB 3.86Å; E103-H110 IonicContact OE1-CD2 3.07Å; E103-H110 PolarHBondContact OE1-CD2 3.32Å; E103-H110 IonicContact OE1-CG 2.63Å; R105-H110 WeakPolarHBondContact O-CB 3.44Å; L106-H110 WeakPolarHBondContact CA-O 3.47Å; S107-H110 PolarHBondContact N-O 2.93Å; S107-H110 PolarHBondContact O-N 2.89Å; S107-H110 VanDerWaalsContact O-N 3.16Å; S107-H110 VanDerWaalsContact O-O 3.13Å; S107-H110 PolarHBondContact OG-ND1 3.43Å; H110-R299 PolarHBondContact NE2-NH2 2.77Å; H110-W318 WeakPolarHBondContact O-CH2 3.26Å; H110-W318 WeakPolarHBondContact O-CZ3 3.36Å
111S98.1Very high97Very high4 Ų445.1 Ų45.13%0.02822%0.224CC..  trans-134147.1-179.4178.80000108.9Y113 Q314S111-Y113 WeakPolarHBondContact CB-O 3.09Å; S111-Y113 PolarHBondContact O-N 2.91Å; S111-Y113 PolarHBondContact OG-N 3.4Å; S111-Y113 PolarHBondContact OG-O 2.83Å; S111-Q314 PolarHBondContact OG-OE1 3.17Å
112V98.1Very high97.2Very high32 Ų3242.9 Ų42.919%0.19421%0.209CC..SBendtrans-58.7-35.4171.2176.30000111L99 R100 L106 V317L99-V112 CarbonylContact C-O 3.53Å; L99-V112 WeakPolarHBondContact CA-O 3.41Å; L99-V112 HydrophobicContact CD2-CG1 4.44Å; R100-V112 PolarHBondContact N-O 2.83Å; L106-V112 HydrophobicContact CD1-CG2 4.23Å; L106-V112 HydrophobicContact CD2-CG2 3.85Å; V112-V317 HydrophobicContact CB-CG2 4.44Å; V112-V317 HydrophobicContact CG2-CG2 4.13Å
113Y98.5Very high97.4Very high59 Ų5939.7 Ų39.723%0.23119%0.192CC..EExtended strand (participates in β ladder)trans-86.8122175.4172.8-136.6000109.3K97 A98 S111 D115 Q314K97-Y113 HydrophobicContact CB-CE2 3.94Å; K97-Y113 HydrophobicContact CD-CE2 4.42Å; K97-Y113 HydrophobicContact CG-CE2 4Å; A98-Y113 WeakPolarHBondContact O-CD2 3.48Å; S111-Y113 WeakPolarHBondContact CB-O 3.09Å; S111-Y113 PolarHBondContact O-N 2.91Å; S111-Y113 PolarHBondContact OG-N 3.4Å; S111-Y113 PolarHBondContact OG-O 2.83Å; Y113-D115 HydrophobicContact CE2-CB 4.34Å; Y113-Q314 HydrophobicContact CD1-CG 3.35Å; Y113-Q314 VanDerWaalsContact CD1-NE2 3.28Å; Y113-Q314 HydrophobicContact CE1-CG 3.67Å; Y113-Q314 HydrophobicContact CG-CG 4.46Å; Y113-Q314 PolarHBondContact O-NE2 2.86Å; Y113-Q314 PolarHBondContact O-OE1 3.16Å
114V98.3Very high97.7Very high25 Ų2537.8 Ų37.815%0.15219%0.189CC..EExtended strand (participates in β ladder)trans-116.6127.6178.9178.20000108.9M96 A98 R100 Q116M96-V114 HydrophobicContact CE-CG1 4.5Å; A98-V114 HydrophobicContact CB-CB 4.25Å; A98-V114 PolarHBondContact N-O 3Å; A98-V114 PolarHBondContact O-N 2.79Å; R100-V114 HydrophobicContact CB-CG2 4.34Å; R100-V114 HydrophobicContact CG-CG2 3.95Å; V114-Q116 HydrophobicContact CG1-CG 4.27Å
115D98.6Very high98Very high7 Ų738.1 Ų38.14%0.03719%0.191CC..EExtended strand (participates in β ladder)trans-122.4136.7174.560.1-5.9000111.3K16 M96 Y113 G296 Q297 S298K16-D115 IonicContact NZ-OD2 3.54Å; K16-D115 PolarHBondContact NZ-OD2 3.26Å; M96-D115 VanDerWaalsContact O-CA 3.29Å; M96-D115 WeakPolarHBondContact O-CA 3.23Å; Y113-D115 HydrophobicContact CE2-CB 4.34Å; D115-G296 CarbonylContact O-C 3.5Å; D115-G296 WeakPolarHBondContact O-CA 3.41Å; D115-Q297 HydrophobicContact CB-CB 4.32Å; D115-Q297 HydrophobicContact CB-CG 4.43Å; D115-Q297 PolarHBondContact O-N 3.24Å; D115-S298 WeakPolarHBondContact OD1-CB 3.45Å; D115-S298 PolarHBondContact OD1-N 3.25Å; D115-S298 PolarHBondContact OD1-OG 3.01Å; D115-S298 PolarHBondContact OD2-OG 2.86Å
116Q98.5Very high98.2Very high29 Ų2932.2 Ų32.214%0.13619%0.189CC..EExtended strand (participates in β ladder)trans-136148.5-178.1-63.9176.2-16.200111.9T94 M96 V114 D118 I295 Q297T94-Q116 VanDerWaalsContact O-O 3.08Å; M96-Q116 HydrophobicContact CB-CB 4.35Å; M96-Q116 HydrophobicContact CE-CB 3.73Å; M96-Q116 HydrophobicContact CE-CG 3.57Å; M96-Q116 PolarHBondContact N-O 3.5Å; M96-Q116 PolarHBondContact O-N 2.89Å; M96-Q116 VanDerWaalsContact O-N 3.11Å; V114-Q116 HydrophobicContact CG1-CG 4.27Å; Q116-D118 VanDerWaalsContact C-N 3.31Å; Q116-D118 HydrophobicContact CB-CB 4.25Å; Q116-D118 PolarHBondContact O-N 3.42Å; Q116-I295 CarbonylContact C-O 3.56Å; Q116-I295 WeakPolarHBondContact CA-O 3.31Å; Q116-Q297 VanDerWaalsContact C-CG 3.49Å; Q116-Q297 VanDerWaalsContact C-NE2 3.32Å; Q116-Q297 PolarHBondContact O-NE2 3.19Å
117W98.9Very high98.2Very high0 Ų032.9 Ų32.90%019%0.192CC..EExtended strand (participates in β ladder)trans-76.197.9146-63.8-87.1000106.1K16 F19 S20 L23 Y93 H95 G294 I295 Q297 L300K16-W117 HydrophobicContact CB-CZ2 4.37Å; K16-W117 HydrophobicContact CG-CZ2 4.35Å; F19-W117 HydrophobicContact CB-CH2 4.1Å; F19-W117 HydrophobicContact CB-CZ2 3.92Å; F19-W117 AromaticContact CD1-CD2 3.68Å; F19-W117 HydrophobicContact CD1-CD2 3.68Å; F19-W117 AromaticContact CD1-CE2 3.71Å; F19-W117 AromaticContact CD1-CE3 3.6Å; F19-W117 HydrophobicContact CD1-CE3 3.6Å; F19-W117 HydrophobicContact CD1-CG 4.42Å; F19-W117 AromaticContact CD1-CH2 3.65Å; F19-W117 HydrophobicContact CD1-CH2 3.65Å; F19-W117 AromaticContact CD1-CZ2 3.7Å; F19-W117 HydrophobicContact CD1-CZ2 3.7Å; F19-W117 AromaticContact CD1-CZ3 3.56Å; F19-W117 HydrophobicContact CD1-CZ3 3.56Å; F19-W117 HydrophobicContact CE1-CD2 4.07Å; F19-W117 AromaticContact CE1-CE3 3.8Å; F19-W117 HydrophobicContact CE1-CE3 3.8Å; F19-W117 HydrophobicContact CE1-CZ3 4.04Å; F19-W117 HydrophobicContact CG-CH2 4.26Å; F19-W117 HydrophobicContact CG-CZ2 4.29Å; F19-W117 HydrophobicContact CG-CZ3 4.5Å; S20-W117 PolarHBondContact OG-NE1 3.19Å; L23-W117 HydrophobicContact CD1-CB 3.48Å; L23-W117 VanDerWaalsContact CD1-CB 3.48Å; L23-W117 HydrophobicContact CD1-CD2 4.4Å; L23-W117 HydrophobicContact CD1-CG 3.6Å; Y93-W117 AromaticContact CD2-CD1 3.96Å; H95-W117 AromaticContact CE1-CD1 3.89Å; H95-W117 AromaticContact CE1-NE1 3.52Å; W117-G294 WeakPolarHBondContact O-CA 3.34Å; W117-I295 HydrophobicContact CB-CB 4.47Å; W117-I295 HydrophobicContact CE3-CB 4.03Å; W117-I295 HydrophobicContact CE3-CG2 3.89Å; W117-I295 HydrophobicContact CZ3-CG2 4.2Å; W117-I295 PolarHBondContact N-O 3.1Å; W117-I295 PolarHBondContact O-N 2.85Å; W117-Q297 HydrophobicContact CD2-CG 3.67Å; W117-Q297 HydrophobicContact CE3-CB 4.17Å; W117-Q297 HydrophobicContact CE3-CG 3.65Å; W117-Q297 HydrophobicContact CG-CG 4.28Å; W117-Q297 HydrophobicContact CH2-CB 4.06Å; W117-Q297 HydrophobicContact CH2-CG 4.16Å; W117-Q297 HydrophobicContact CZ2-CB 4.44Å; W117-Q297 HydrophobicContact CZ2-CG 4.18Å; W117-Q297 HydrophobicContact CZ3-CB 3.94Å; W117-Q297 HydrophobicContact CZ3-CG 3.93Å; W117-L300 HydrophobicContact CH2-CB 4.37Å; W117-L300 HydrophobicContact CH2-CD2 3.81Å; W117-L300 HydrophobicContact CZ3-CB 3.88Å; W117-L300 HydrophobicContact CZ3-CD2 3.55Å; W117-L300 HydrophobicContact CZ3-CG 4.32Å
118D98.7Very high98.3Very high4 Ų435.3 Ų35.32%0.02120%0.198CC..EExtended strand (participates in β ladder)trans-96.5115.2-178.7-155.5-0.5000107.6L73 K77 Y93 T94 M96 Q116L73-D118 WeakPolarHBondContact CA-OD2 3.39Å; L73-D118 VanDerWaalsContact CB-OD2 3.26Å; L73-D118 WeakPolarHBondContact CB-OD2 3.18Å; L73-D118 PolarHBondContact N-OD2 3.43Å; K77-D118 HydrophobicContact CD-CB 4.24Å; K77-D118 WeakPolarHBondContact CE-OD1 3.5Å; K77-D118 IonicContact NZ-OD1 3.95Å; K77-D118 PolarHBondContact NZ-OD1 2.98Å; Y93-D118 CarbonylContact C-O 3.5Å; Y93-D118 VanDerWaalsContact CA-O 3.3Å; Y93-D118 WeakPolarHBondContact CA-O 3.5Å; T94-D118 HydrophobicContact CG2-CB 4.13Å; T94-D118 PolarHBondContact N-O 2.91Å; T94-D118 PolarHBondContact O-N 2.86Å; M96-D118 HydrophobicContact CB-CB 3.61Å; M96-D118 HydrophobicContact CG-CB 4.18Å; Q116-D118 VanDerWaalsContact C-N 3.31Å; Q116-D118 HydrophobicContact CB-CB 4.25Å; Q116-D118 PolarHBondContact O-N 3.42Å
119W98.9Very high98.3Very high1 Ų137 Ų370%0.00420%0.202CC..EExtended strand (participates in β ladder)trans-135153-163.869.6-88.4000113L27 L29 K77 L92 R121 T136 I140 M252 I291 G292 G293L27-W119 HydrophobicContact CD1-CD2 4.47Å; L27-W119 HydrophobicContact CD1-CE3 4.27Å; L27-W119 HydrophobicContact CD1-CZ3 4.31Å; L29-W119 HydrophobicContact CD1-CB 3.83Å; L29-W119 HydrophobicContact CD1-CD2 4.39Å; L29-W119 HydrophobicContact CD1-CE3 4.19Å; L29-W119 HydrophobicContact CD1-CG 4.27Å; K77-W119 PolarHBondContact NZ-O 3.41Å; L92-W119 CarbonylContact O-C 3.51Å; L92-W119 VanDerWaalsContact O-CA 3.27Å; L92-W119 WeakPolarHBondContact O-CA 3.36Å; W119-R121 HydrophobicContact CZ3-CB 4.39Å; W119-T136 HydrophobicContact CH2-CG2 3.66Å; W119-T136 HydrophobicContact CZ2-CG2 4.44Å; W119-T136 HydrophobicContact CZ3-CG2 4.32Å; W119-I140 HydrophobicContact CH2-CD1 4.16Å; W119-I140 HydrophobicContact CZ2-CD1 3.47Å; W119-I140 VanDerWaalsContact CZ2-CD1 3.47Å; W119-M252 HydrophobicContact CZ2-CB 4.19Å; W119-M252 HydrophobicContact CZ2-CE 4.48Å; W119-M252 HydrophobicContact CZ2-SD 4.15Å; W119-I291 HydrophobicContact CH2-CG1 4.13Å; W119-I291 HydrophobicContact CZ3-CG2 4.37Å; W119-I291 WeakPolarHBondContact CZ3-O 3.22Å; W119-G292 VanDerWaalsContact O-CA 3.26Å; W119-G292 WeakPolarHBondContact O-CA 3.48Å; W119-G293 PolarHBondContact N-O 3.15Å; W119-G293 PolarHBondContact NE1-O 3.31Å; W119-G293 PolarHBondContact O-N 3.46Å
120E98.9Very high98.3Very high0 Ų036.2 Ų36.20%020%0.197CC..EExtended strand (participates in β ladder)trans-152.7136.7-177.6-155.574.8-146.600109.4K77 L81 G91 L92 R255 T290K77-E120 HydrophobicContact CB-CB 3.59Å; K77-E120 HydrophobicContact CB-CG 3.99Å; K77-E120 HydrophobicContact CD-CB 4.08Å; K77-E120 VanDerWaalsContact CE-OE2 3.27Å; K77-E120 WeakPolarHBondContact CE-OE2 3.46Å; K77-E120 HydrophobicContact CG-CB 4.4Å; K77-E120 IonicContact NZ-OE2 3.52Å; K77-E120 PolarHBondContact NZ-OE2 2.95Å; K77-E120 VanDerWaalsContact NZ-OE2 3.07Å; L81-E120 HydrophobicContact CD1-CB 3.78Å; L81-E120 HydrophobicContact CD1-CG 3.63Å; G91-E120 CarbonylContact C-O 3.52Å; G91-E120 WeakPolarHBondContact CA-O 3.3Å; L92-E120 HydrophobicContact CD1-CB 4.48Å; L92-E120 PolarHBondContact N-O 2.91Å; L92-E120 PolarHBondContact O-N 3.13Å; E120-R255 WeakPolarHBondContact OE1-CG 3.38Å; E120-R255 IonicContact OE1-CZ 3.58Å; E120-R255 IonicContact OE1-NE 2.72Å; E120-R255 PolarHBondContact OE1-NE 2.85Å; E120-R255 IonicContact OE1-NH2 3.75Å; E120-R255 IonicContact OE2-CZ 3.96Å; E120-R255 IonicContact OE2-NE 3.91Å; E120-R255 PolarHBondContact OE2-NE 2.85Å; E120-R255 IonicContact OE2-NH2 3.27Å; E120-R255 PolarHBondContact OE2-NH2 2.96Å; E120-T290 HydrophobicContact CG-CG2 4.19Å; E120-T290 WeakPolarHBondContact OE1-CB 3.45Å; E120-T290 PolarHBondContact OE1-OG1 3.48Å
121R98.9Very high98.3Very high36 Ų3635.8 Ų35.814%0.13620%0.2CC..EExtended strand (participates in β ladder)trans-127.9137.4179.2-164.2-166.990.2-1707.8110.5L29 E90 W119 E127 T290 I291L29-R121 HydrophobicContact CD2-CB 4.22Å; L29-R121 HydrophobicContact CD2-CG 4.45Å; E90-R121 WeakPolarHBondContact O-CG 3.41Å; W119-R121 HydrophobicContact CZ3-CB 4.39Å; R121-E127 IonicContact NH2-OE1 3.65Å; R121-E127 IonicContact NH2-OE2 2.75Å; R121-E127 PolarHBondContact NH2-OE2 2.93Å; R121-T290 CarbonylContact O-C 3.58Å; R121-T290 WeakPolarHBondContact O-CA 3.16Å; R121-T290 VanDerWaalsContact O-CB 3.25Å; R121-T290 WeakPolarHBondContact O-CB 3.39Å; R121-I291 HydrophobicContact CB-CG2 4.07Å; R121-I291 PolarHBondContact N-O 2.67Å; R121-I291 PolarHBondContact O-N 3.3Å
122V98.8Very high98.4Very high8 Ų836.1 Ų36.15%0.04820%0.202CC..EExtended strand (participates in β ladder)trans-71134172.4-179.30000109.9L81 F86 S87 G89 E90 P288 T290L81-V122 HydrophobicContact CB-CG2 4.07Å; L81-V122 HydrophobicContact CD1-CG2 3.95Å; L81-V122 HydrophobicContact CD2-CG2 4.29Å; L81-V122 HydrophobicContact CG-CG2 4.33Å; F86-V122 HydrophobicContact CB-CG2 3.71Å; S87-V122 WeakPolarHBondContact O-CB 3.39Å; G89-V122 PolarHBondContact N-O 3.15Å; E90-V122 PolarHBondContact O-N 2.86Å; V122-P288 HydrophobicContact CG1-CB 3.99Å; V122-P288 HydrophobicContact CG2-CB 4.42Å; V122-P288 HydrophobicContact CG2-CG 4.06Å; V122-T290 HydrophobicContact CG2-CG2 4.5Å
123M98.7Very high98.4Very high13 Ų1334.6 Ų34.66%0.06419%0.193CC..PPolyproline II helixtrans-95.6145.8178.1-65177.567.100110.9E127 R128 T132 I254 Q289 T290 I291M123-E127 WeakPolarHBondContact CA-OE2 3.08Å; M123-E127 HydrophobicContact CB-CB 4.29Å; M123-E127 HydrophobicContact CE-CB 3.73Å; M123-E127 WeakPolarHBondContact CE-O 3.42Å; M123-R128 HydrophobicContact CE-CB 4.49Å; M123-T132 HydrophobicContact CE-CG2 4.05Å; M123-I254 HydrophobicContact CE-CD1 4Å; M123-I254 HydrophobicContact CE-CG1 4.08Å; M123-I254 HydrophobicContact CE-CG2 4.24Å; M123-I254 HydrophobicContact SD-CG1 4.17Å; M123-I254 HydrophobicContact SD-CG2 3.97Å; M123-Q289 HydrophobicContact CB-CB 4.46Å; M123-Q289 HydrophobicContact CB-CG 4.08Å; M123-Q289 HydrophobicContact CG-CG 4.44Å; M123-Q289 PolarHBondContact N-O 2.81Å; M123-Q289 HydrophobicContact SD-CG 3.83Å; M123-T290 VanDerWaalsContact SD-O 3.33Å; M123-I291 HydrophobicContact CG-CB 4.21Å; M123-I291 HydrophobicContact CG-CG2 4Å; M123-I291 HydrophobicContact SD-CB 3.89Å; M123-I291 HydrophobicContact SD-CG2 4.33Å
124G97.8Very high98.4Very high22 Ų2235.7 Ų35.723%0.22720%0.199CC..PPolyproline II helixtrans-81.1171.8171.100000113.3G126 E127G124-G126 PolarHBondContact O-N 2.81Å; G124-E127 PolarHBondContact N-OE2 2.65Å; G124-E127 WeakPolarHBondContact O-CB 3.17Å; G124-E127 PolarHBondContact O-N 3.11Å
125D97.2Very high98.4Very high175 Ų17537.4 Ų37.494%0.93621%0.212SC*.THydrogen-bonded Turntrans-61134.8173.3-70.4-30.2000111.2E127D125-E127 PolarHBondContact O-N 2.84Å
126G97.5Very high98.4Very high67 Ų6737.2 Ų37.269%0.69121%0.211SC*.THydrogen-bonded Turntrans76.62.6-179.400000115G124 R128G124-G126 PolarHBondContact O-N 2.81Å; G126-R128 VanDerWaalsContact C-N 3.35Å
127E98.4Very high98.4Very high59 Ų5935.9 Ų35.928%0.27621%0.205SC..  trans-83.4-5.8179-65.4-163.8149.300113.9R121 M123 G124 D125 Q129 T132R121-E127 IonicContact NH2-OE1 3.65Å; R121-E127 IonicContact NH2-OE2 2.75Å; R121-E127 PolarHBondContact NH2-OE2 2.93Å; M123-E127 WeakPolarHBondContact CA-OE2 3.08Å; M123-E127 HydrophobicContact CB-CB 4.29Å; M123-E127 HydrophobicContact CE-CB 3.73Å; M123-E127 WeakPolarHBondContact CE-O 3.42Å; G124-E127 PolarHBondContact N-OE2 2.65Å; G124-E127 WeakPolarHBondContact O-CB 3.17Å; G124-E127 PolarHBondContact O-N 3.11Å; D125-E127 PolarHBondContact O-N 2.84Å; E127-Q129 PolarHBondContact O-N 3.23Å; E127-T132 HydrophobicContact CB-CG2 4.25Å; E127-T132 WeakPolarHBondContact O-CB 3.27Å; E127-T132 PolarHBondContact O-OG1 3.34Å
128R98Very high98.4Very high66 Ų6640.1 Ų40.125%0.24923%0.225CC..  trans-7863.8-175.5-158.2-173.9-170.7-77.7-2.7113M123 G126 D220 T223 L232 I254 R255 D257M123-R128 HydrophobicContact CE-CB 4.49Å; G126-R128 VanDerWaalsContact C-N 3.35Å; R128-D220 IonicContact CZ-OD2 3.78Å; R128-D220 VanDerWaalsContact CZ-OD2 3.29Å; R128-D220 IonicContact NH1-OD2 2.95Å; R128-D220 PolarHBondContact NH1-OD2 2.75Å; R128-D220 VanDerWaalsContact NH1-OD2 3.12Å; R128-D220 IonicContact NH2-OD2 3.2Å; R128-D220 PolarHBondContact NH2-OD2 2.83Å; R128-T223 PolarHBondContact NH1-OG1 2.95Å; R128-L232 HydrophobicContact CG-CD1 4.49Å; R128-I254 HydrophobicContact CG-CG2 3.87Å; R128-R255 PolarHBondContact NH2-O 2.91Å; R128-D257 IonicContact CZ-OD2 2.67Å; R128-D257 IonicContact NE-OD2 3.3Å; R128-D257 PolarHBondContact NE-OD2 2.91Å; R128-D257 IonicContact NH1-OD2 2.71Å; R128-D257 IonicContact NH2-OD2 3.51Å
129Q97.7Very high98.5Very high86 Ų8641.1 Ų41.140%0.40223%0.234SC..SBendtrans-145.9161.1-174.955-178.2-0.500111.2E127 S131 T132 I254E127-Q129 PolarHBondContact O-N 3.23Å; Q129-S131 VanDerWaalsContact C-N 3.28Å; Q129-S131 VanDerWaalsContact CG-OG 3.27Å; Q129-S131 WeakPolarHBondContact CG-OG 3.41Å; Q129-S131 PolarHBondContact NE2-OG 3.45Å; Q129-S131 PolarHBondContact O-N 2.93Å; Q129-T132 WeakPolarHBondContact O-CB 3.45Å; Q129-T132 PolarHBondContact O-N 3.3Å; Q129-T132 VanDerWaalsContact O-N 3.15Å; Q129-I254 WeakPolarHBondContact O-CD1 3.25Å
130F98.5Very high98.5Very high14 Ų1441.2 Ų41.26%0.06123%0.234CC..Hα-helixtrans-63.5-33.7-175.6174.8-102.6000112.9T132 L133 K134 F167 V199 L227 L232F130-T132 PolarHBondContact O-N 3.47Å; F130-L133 HydrophobicContact CD2-CD2 4.16Å; F130-L133 HydrophobicContact CE2-CD2 4.26Å; F130-L133 WeakPolarHBondContact O-CB 3.07Å; F130-L133 PolarHBondContact O-N 2.92Å; F130-L133 VanDerWaalsContact O-N 3.1Å; F130-K134 HydrophobicContact CE1-CB 4.13Å; F130-K134 HydrophobicContact CE1-CD 4.23Å; F130-K134 HydrophobicContact CZ-CB 4.28Å; F130-K134 WeakPolarHBondContact O-CB 3.25Å; F130-K134 PolarHBondContact O-N 3.49Å; F130-F167 HydrophobicContact CE2-CD1 4.46Å; F130-F167 HydrophobicContact CZ-CB 4.29Å; F130-F167 AromaticContact CZ-CD1 3.84Å; F130-F167 HydrophobicContact CZ-CD1 3.84Å; F130-F167 HydrophobicContact CZ-CG 4.29Å; F130-V199 HydrophobicContact CE2-CG1 4.13Å; F130-V199 HydrophobicContact CE2-CG2 3.77Å; F130-V199 HydrophobicContact CZ-CG2 4.28Å; F130-L227 HydrophobicContact CD1-CD1 4.44Å; F130-L227 HydrophobicContact CD1-CD2 4.42Å; F130-L227 HydrophobicContact CD1-CG 4.04Å; F130-L227 HydrophobicContact CD2-CD1 4.01Å; F130-L227 HydrophobicContact CD2-CG 4.34Å; F130-L227 HydrophobicContact CE1-CD1 3.99Å; F130-L227 HydrophobicContact CE1-CD2 3.89Å; F130-L227 HydrophobicContact CE1-CG 3.83Å; F130-L227 HydrophobicContact CE2-CD1 3.52Å; F130-L227 HydrophobicContact CE2-CG 4.17Å; F130-L227 HydrophobicContact CG-CD1 4.46Å; F130-L227 HydrophobicContact CG-CG 4.3Å; F130-L227 HydrophobicContact CZ-CD1 3.51Å; F130-L227 HydrophobicContact CZ-CD2 4.15Å; F130-L227 HydrophobicContact CZ-CG 3.91Å; F130-L232 HydrophobicContact CB-CD2 4.29Å
131S98.2Very high98.5Very high45 Ų4541.6 Ų41.632%0.31524%0.236SC..Hα-helixtrans-57.7-32.1176.151.40000113.5Q129 S135Q129-S131 VanDerWaalsContact C-N 3.28Å; Q129-S131 VanDerWaalsContact CG-OG 3.27Å; Q129-S131 WeakPolarHBondContact CG-OG 3.41Å; Q129-S131 PolarHBondContact NE2-OG 3.45Å; Q129-S131 PolarHBondContact O-N 2.93Å; S131-S135 WeakPolarHBondContact O-CB 3.03Å; S131-S135 PolarHBondContact O-N 3.47Å; S131-S135 PolarHBondContact O-OG 2.93Å
132T98.6Very high98.5Very high11 Ų1141.6 Ų41.67%0.06724%0.243CC..Hα-helixtrans-70.8-42.9173.6-53.60000112.2M123 E127 Q129 F130 K134 S135 T136M123-T132 HydrophobicContact CE-CG2 4.05Å; E127-T132 HydrophobicContact CB-CG2 4.25Å; E127-T132 WeakPolarHBondContact O-CB 3.27Å; E127-T132 PolarHBondContact O-OG1 3.34Å; Q129-T132 WeakPolarHBondContact O-CB 3.45Å; Q129-T132 PolarHBondContact O-N 3.3Å; Q129-T132 VanDerWaalsContact O-N 3.15Å; F130-T132 PolarHBondContact O-N 3.47Å; T132-K134 VanDerWaalsContact C-N 3.35Å; T132-S135 PolarHBondContact O-OG 3.23Å; T132-S135 VanDerWaalsContact O-OG 3.12Å; T132-T136 VanDerWaalsContact O-CB 3.32Å; T132-T136 WeakPolarHBondContact O-CB 3.24Å; T132-T136 PolarHBondContact O-N 3.39Å; T132-T136 PolarHBondContact O-OG1 3.41Å
133L98.8Very high98.5Very high0 Ų041.3 Ų41.30%024%0.242CC..Hα-helixtrans-59.9-48.4173.7177.363.5000110.4F130 T136 V137 F197 L232 I254 I291F130-L133 HydrophobicContact CD2-CD2 4.16Å; F130-L133 HydrophobicContact CE2-CD2 4.26Å; F130-L133 WeakPolarHBondContact O-CB 3.07Å; F130-L133 PolarHBondContact O-N 2.92Å; F130-L133 VanDerWaalsContact O-N 3.1Å; L133-T136 PolarHBondContact O-N 3.19Å; L133-V137 HydrophobicContact CD1-CG2 4.26Å; L133-V137 VanDerWaalsContact O-CG2 3.28Å; L133-V137 WeakPolarHBondContact O-CG2 3.44Å; L133-V137 PolarHBondContact O-N 2.85Å; L133-F197 HydrophobicContact CD1-CE1 4.31Å; L133-F197 HydrophobicContact CD1-CZ 4Å; L133-F197 HydrophobicContact CD2-CE1 3.77Å; L133-F197 HydrophobicContact CD2-CZ 4.16Å; L133-F197 HydrophobicContact CG-CE1 3.98Å; L133-F197 HydrophobicContact CG-CZ 4.19Å; L133-L232 WeakPolarHBondContact CD2-O 3.42Å; L133-I254 HydrophobicContact CB-CD1 4.23Å; L133-I254 HydrophobicContact CB-CG1 4.45Å; L133-I291 HydrophobicContact CD1-CD1 4.01Å
134K98.8Very high98.5Very high81 Ų8140.7 Ų40.735%0.35224%0.239SC..Hα-helixtrans-55.4-55.4179.4-1801761791780112.2F130 T132 T136 V137 E138 F167F130-K134 HydrophobicContact CE1-CB 4.13Å; F130-K134 HydrophobicContact CE1-CD 4.23Å; F130-K134 HydrophobicContact CZ-CB 4.28Å; F130-K134 WeakPolarHBondContact O-CB 3.25Å; F130-K134 PolarHBondContact O-N 3.49Å; T132-K134 VanDerWaalsContact C-N 3.35Å; K134-T136 VanDerWaalsContact C-N 3.29Å; K134-T136 PolarHBondContact O-N 3.4Å; K134-V137 PolarHBondContact O-N 3.15Å; K134-E138 WeakPolarHBondContact CE-OE1 3.29Å; K134-E138 WeakPolarHBondContact O-CG 3.45Å; K134-E138 PolarHBondContact O-N 2.78Å; K134-F167 HydrophobicContact CB-CE1 4.07Å; K134-F167 HydrophobicContact CB-CZ 4.19Å; K134-F167 HydrophobicContact CD-CD2 4.35Å; K134-F167 HydrophobicContact CD-CE2 4.29Å; K134-F167 HydrophobicContact CG-CD1 4.26Å; K134-F167 HydrophobicContact CG-CD2 4.13Å; K134-F167 HydrophobicContact CG-CE1 3.84Å; K134-F167 HydrophobicContact CG-CE2 3.68Å; K134-F167 HydrophobicContact CG-CG 4.42Å; K134-F167 HydrophobicContact CG-CZ 3.54Å
135S98.6Very high98.5Very high62 Ų6241.3 Ų41.343%0.43424%0.235SC..Hα-helixtrans-63.5-33.8-179.652.70000112.8S131 T132 E138 A139S131-S135 WeakPolarHBondContact O-CB 3.03Å; S131-S135 PolarHBondContact O-N 3.47Å; S131-S135 PolarHBondContact O-OG 2.93Å; T132-S135 PolarHBondContact O-OG 3.23Å; T132-S135 VanDerWaalsContact O-OG 3.12Å; S135-E138 PolarHBondContact O-N 2.9Å; S135-A139 PolarHBondContact O-N 2.92Å
136T98.8Very high98.6Very high3 Ų334.2 Ų34.22%0.01820%0.201CC..Hα-helixtrans-66.6-44.3174.7-590000111.7L27 W119 T132 L133 K134 E138 A139 I140 I291L27-T136 HydrophobicContact CD2-CG2 4.09Å; W119-T136 HydrophobicContact CH2-CG2 3.66Å; W119-T136 HydrophobicContact CZ2-CG2 4.44Å; W119-T136 HydrophobicContact CZ3-CG2 4.32Å; T132-T136 VanDerWaalsContact O-CB 3.32Å; T132-T136 WeakPolarHBondContact O-CB 3.24Å; T132-T136 PolarHBondContact O-N 3.39Å; T132-T136 PolarHBondContact O-OG1 3.41Å; L133-T136 PolarHBondContact O-N 3.19Å; K134-T136 VanDerWaalsContact C-N 3.29Å; K134-T136 PolarHBondContact O-N 3.4Å; T136-E138 VanDerWaalsContact C-N 3.34Å; T136-E138 PolarHBondContact O-N 3.06Å; T136-A139 PolarHBondContact O-N 3.42Å; T136-I140 HydrophobicContact CG2-CD1 4.31Å; T136-I140 WeakPolarHBondContact O-CG1 3.35Å; T136-I140 PolarHBondContact O-N 3.03Å; T136-I291 HydrophobicContact CG2-CD1 3.85Å
137V98.9Very high98.7Very high0 Ų031 Ų310%017%0.168CC..Hα-helixtrans-61.4-42.6174.3170.60000111L133 K134 A139 I140 W141 I165 F167 F197 M252L133-V137 HydrophobicContact CD1-CG2 4.26Å; L133-V137 VanDerWaalsContact O-CG2 3.28Å; L133-V137 WeakPolarHBondContact O-CG2 3.44Å; L133-V137 PolarHBondContact O-N 2.85Å; K134-V137 PolarHBondContact O-N 3.15Å; V137-A139 VanDerWaalsContact C-N 3.34Å; V137-A139 PolarHBondContact O-N 3Å; V137-I140 PolarHBondContact O-N 3.04Å; V137-W141 WeakPolarHBondContact O-CB 3.34Å; V137-W141 PolarHBondContact O-N 3.44Å; V137-I165 HydrophobicContact CG1-CD1 3.94Å; V137-I165 HydrophobicContact CG1-CG2 4.16Å; V137-F167 HydrophobicContact CB-CE1 3.89Å; V137-F167 HydrophobicContact CB-CZ 3.89Å; V137-F167 HydrophobicContact CG1-CE1 3.82Å; V137-F167 HydrophobicContact CG1-CZ 3.71Å; V137-F167 HydrophobicContact CG2-CE1 4.3Å; V137-F197 HydrophobicContact CB-CD2 4.42Å; V137-F197 HydrophobicContact CB-CG 4.49Å; V137-F197 HydrophobicContact CG1-CB 3.9Å; V137-F197 HydrophobicContact CG1-CD2 3.8Å; V137-F197 HydrophobicContact CG1-CG 3.84Å; V137-F197 HydrophobicContact CG2-CD1 4.14Å; V137-F197 HydrophobicContact CG2-CD2 3.66Å; V137-F197 HydrophobicContact CG2-CE1 4.03Å; V137-F197 HydrophobicContact CG2-CE2 3.55Å; V137-F197 HydrophobicContact CG2-CG 3.95Å; V137-F197 HydrophobicContact CG2-CZ 3.73Å; V137-M252 HydrophobicContact CG2-CG 4.48Å; V137-M252 HydrophobicContact CG2-SD 3.59Å; V137-M252 VanDerWaalsContact CG2-SD 3.59Å
138E98.9Very high98.7Very high89 Ų8928.7 Ų28.742%0.41616%0.157SC..Hα-helixtrans-61.3-40.1176.1-73.4171168.100111.9K134 S135 T136 W141 A142 F167K134-E138 WeakPolarHBondContact CE-OE1 3.29Å; K134-E138 WeakPolarHBondContact O-CG 3.45Å; K134-E138 PolarHBondContact O-N 2.78Å; S135-E138 PolarHBondContact O-N 2.9Å; T136-E138 VanDerWaalsContact C-N 3.34Å; T136-E138 PolarHBondContact O-N 3.06Å; E138-W141 PolarHBondContact O-N 3.19Å; E138-A142 WeakPolarHBondContact O-CB 3.46Å; E138-A142 PolarHBondContact O-N 2.92Å; E138-F167 HydrophobicContact CG-CE2 4.07Å; E138-F167 HydrophobicContact CG-CZ 4.06Å
139A98.8Very high98.7Very high26 Ų2628.1 Ų28.122%0.21517%0.167CC..Hα-helixtrans-65-42.8175.300000112.4R26 L27 S135 T136 V137 A142 G143R26-A139 VanDerWaalsContact CD-O 3.24Å; R26-A139 WeakPolarHBondContact CD-O 3.41Å; L27-A139 HydrophobicContact CD2-CB 3.83Å; S135-A139 PolarHBondContact O-N 2.92Å; T136-A139 PolarHBondContact O-N 3.42Å; V137-A139 VanDerWaalsContact C-N 3.34Å; V137-A139 PolarHBondContact O-N 3Å; A139-A142 PolarHBondContact O-N 2.54Å; A139-G143 PolarHBondContact O-N 3.01Å; A139-G143 VanDerWaalsContact O-N 3.16Å
140I98.9Very high98.8Very high3 Ų324.6 Ų24.62%0.01515%0.152CC..Hα-helixtrans-62.3-44.8174-69.1169.2000110.5F19 L27 W119 T136 V137 A142 G143 I144 I236 M252 I295F19-I140 HydrophobicContact CZ-CG2 4.38Å; L27-I140 HydrophobicContact CD1-CD1 4.07Å; L27-I140 HydrophobicContact CD1-CG1 3.72Å; L27-I140 HydrophobicContact CG-CG1 4.5Å; W119-I140 HydrophobicContact CH2-CD1 4.16Å; W119-I140 HydrophobicContact CZ2-CD1 3.47Å; W119-I140 VanDerWaalsContact CZ2-CD1 3.47Å; T136-I140 HydrophobicContact CG2-CD1 4.31Å; T136-I140 WeakPolarHBondContact O-CG1 3.35Å; T136-I140 PolarHBondContact O-N 3.03Å; V137-I140 PolarHBondContact O-N 3.04Å; I140-A142 VanDerWaalsContact C-N 3.34Å; I140-A142 PolarHBondContact O-N 3.45Å; I140-G143 WeakPolarHBondContact O-CA 3.21Å; I140-G143 PolarHBondContact O-N 3.35Å; I140-I144 HydrophobicContact CG2-CD1 4.26Å; I140-I144 PolarHBondContact O-N 3.03Å; I140-I236 HydrophobicContact CG2-CD1 4.05Å; I140-M252 HydrophobicContact CD1-CE 3.59Å; I140-M252 HydrophobicContact CD1-SD 3.74Å; I140-I295 HydrophobicContact CG2-CD1 3.78Å
141W98.9Very high98.8Very high8 Ų824 Ų243%0.0315%0.15CC..Hα-helixtrans-60.4-42.8178.2-173.1-111000112V137 E138 G143 I144 K145 L161 P162 D163 I165 A195 I236 V238V137-W141 WeakPolarHBondContact O-CB 3.34Å; V137-W141 PolarHBondContact O-N 3.44Å; E138-W141 PolarHBondContact O-N 3.19Å; W141-G143 PolarHBondContact O-N 2.88Å; W141-I144 HydrophobicContact CE3-CB 4.36Å; W141-I144 HydrophobicContact CE3-CD1 3.9Å; W141-I144 HydrophobicContact CE3-CG2 4.4Å; W141-I144 HydrophobicContact CZ3-CD1 4.19Å; W141-I144 HydrophobicContact CZ3-CG2 4.2Å; W141-I144 WeakPolarHBondContact O-CB 3.47Å; W141-I144 PolarHBondContact O-N 3.23Å; W141-I144 VanDerWaalsContact O-N 3.08Å; W141-K145 HydrophobicContact CZ2-CD 4.25Å; W141-K145 WeakPolarHBondContact O-CG 3.49Å; W141-K145 PolarHBondContact O-N 3.21Å; W141-L161 HydrophobicContact CH2-CB 4.15Å; W141-L161 HydrophobicContact CH2-CD1 4.2Å; W141-L161 HydrophobicContact CH2-CD2 4.22Å; W141-L161 HydrophobicContact CH2-CG 4.43Å; W141-L161 HydrophobicContact CZ2-CB 4.15Å; W141-P162 VanDerWaalsContact CZ2-O 3.25Å; W141-P162 WeakPolarHBondContact CZ2-O 3.18Å; W141-P162 PolarHBondContact NE1-O 2.97Å; W141-D163 PolarHBondContact NE1-O 3.36Å; W141-I165 HydrophobicContact CB-CB 4.36Å; W141-I165 HydrophobicContact CB-CG2 3.99Å; W141-I165 HydrophobicContact CD2-CB 3.9Å; W141-I165 HydrophobicContact CD2-CD1 4.31Å; W141-I165 HydrophobicContact CD2-CG2 4.49Å; W141-I165 HydrophobicContact CE3-CB 4.45Å; W141-I165 HydrophobicContact CE3-CD1 4.02Å; W141-I165 HydrophobicContact CG-CB 3.82Å; W141-I165 HydrophobicContact CG-CG2 3.92Å; W141-A195 HydrophobicContact CH2-CB 3.45Å; W141-A195 VanDerWaalsContact CH2-CB 3.45Å; W141-A195 HydrophobicContact CZ2-CB 3.47Å; W141-A195 VanDerWaalsContact CZ2-CB 3.47Å; W141-A195 HydrophobicContact CZ3-CB 4.22Å; W141-I236 HydrophobicContact CZ3-CG2 4.34Å; W141-V238 HydrophobicContact CH2-CG1 3.64Å; W141-V238 HydrophobicContact CZ3-CG1 3.68Å
142A98.8Very high98.8Very high35 Ų3523.5 Ų23.529%0.28915%0.146SC..Hα-helixtrans-60.4-34.3173.800000112.3E138 A139 I140 A146E138-A142 WeakPolarHBondContact O-CB 3.46Å; E138-A142 PolarHBondContact O-N 2.92Å; A139-A142 PolarHBondContact O-N 2.54Å; I140-A142 VanDerWaalsContact C-N 3.34Å; I140-A142 PolarHBondContact O-N 3.45Å; A142-A146 WeakPolarHBondContact O-CB 3.43Å; A142-A146 PolarHBondContact O-N 2.84Å
143G98.8Very high98.8Very high2 Ų231.3 Ų31.32%0.02118%0.182CC..Hα-helixtrans-67.2-39.1172.100000113.4A139 I140 W141 T147A139-G143 PolarHBondContact O-N 3.01Å; A139-G143 VanDerWaalsContact O-N 3.16Å; I140-G143 WeakPolarHBondContact O-CA 3.21Å; I140-G143 PolarHBondContact O-N 3.35Å; W141-G143 PolarHBondContact O-N 2.88Å; G143-T147 WeakPolarHBondContact O-CB 3.37Å; G143-T147 PolarHBondContact O-N 2.88Å; G143-T147 PolarHBondContact O-OG1 3.13Å
144I98.9Very high98.8Very high1 Ų137.2 Ų37.21%0.00521%0.21CC..Hα-helixtrans-62.6-48.5174.4-69.1169.9000109.3F19 I140 W141 A146 T147 E148 L161 L249 L300F19-I144 HydrophobicContact CD2-CG1 4.46Å; F19-I144 HydrophobicContact CE2-CB 4.42Å; F19-I144 HydrophobicContact CE2-CG1 3.6Å; F19-I144 HydrophobicContact CZ-CG1 3.93Å; I140-I144 HydrophobicContact CG2-CD1 4.26Å; I140-I144 PolarHBondContact O-N 3.03Å; W141-I144 HydrophobicContact CE3-CB 4.36Å; W141-I144 HydrophobicContact CE3-CD1 3.9Å; W141-I144 HydrophobicContact CE3-CG2 4.4Å; W141-I144 HydrophobicContact CZ3-CD1 4.19Å; W141-I144 HydrophobicContact CZ3-CG2 4.2Å; W141-I144 WeakPolarHBondContact O-CB 3.47Å; W141-I144 PolarHBondContact O-N 3.23Å; W141-I144 VanDerWaalsContact O-N 3.08Å; I144-A146 PolarHBondContact O-N 2.77Å; I144-T147 PolarHBondContact O-N 3.27Å; I144-T147 VanDerWaalsContact O-N 3.16Å; I144-E148 PolarHBondContact O-N 3.27Å; I144-L161 HydrophobicContact CG2-CD1 3.61Å; I144-L249 HydrophobicContact CD1-CD1 4.23Å; I144-L300 HydrophobicContact CG1-CD1 4.19Å; I144-L300 HydrophobicContact CG2-CD1 4.12Å
145K98.9Very high98.8Very high35 Ų3536.2 Ų36.215%0.15221%0.206CC..Hα-helixtrans-62.8-41.4178.2-70.4-63-63.1175.80113.3W141 T147 E148 A149 L161 P162 D163W141-K145 HydrophobicContact CZ2-CD 4.25Å; W141-K145 WeakPolarHBondContact O-CG 3.49Å; W141-K145 PolarHBondContact O-N 3.21Å; K145-T147 VanDerWaalsContact C-N 3.28Å; K145-T147 PolarHBondContact O-N 2.72Å; K145-E148 WeakPolarHBondContact CE-OE2 3.34Å; K145-E148 IonicContact NZ-OE2 3.66Å; K145-E148 PolarHBondContact NZ-OE2 2.84Å; K145-E148 PolarHBondContact O-N 2.67Å; K145-A149 PolarHBondContact O-N 2.63Å; K145-L161 HydrophobicContact CD-CB 4.07Å; K145-L161 PolarHBondContact NZ-O 3.16Å; K145-P162 WeakPolarHBondContact CD-O 3.32Å; K145-D163 IonicContact NZ-OD1 3.77Å
146A98.9Very high98.8Very high26 Ų2636.3 Ų36.322%0.21522%0.216CC..Hα-helixtrans-62.1-38.3174.300000111.7Q22 A142 I144 A150Q22-A146 HydrophobicContact CG-CB 4.37Å; Q22-A146 VanDerWaalsContact OE1-CB 3.28Å; A142-A146 WeakPolarHBondContact O-CB 3.43Å; A142-A146 PolarHBondContact O-N 2.84Å; I144-A146 PolarHBondContact O-N 2.77Å; A146-A150 WeakPolarHBondContact O-CB 3.37Å; A146-A150 PolarHBondContact O-N 2.87Å
147T98.9Very high98.8Very high0 Ų038.1 Ų38.10%023%0.225CC..Hα-helixtrans-72.1-39177.3-53.70000112.1V15 H18 F19 G143 I144 K145 A150 V151 L304V15-T147 HydrophobicContact CG1-CG2 4.13Å; H18-T147 HydrophobicContact CB-CG2 4.19Å; H18-T147 WeakPolarHBondContact ND1-CA 3.46Å; H18-T147 PolarHBondContact ND1-OG1 3.2Å; F19-T147 HydrophobicContact CB-CG2 4.2Å; G143-T147 WeakPolarHBondContact O-CB 3.37Å; G143-T147 PolarHBondContact O-N 2.88Å; G143-T147 PolarHBondContact O-OG1 3.13Å; I144-T147 PolarHBondContact O-N 3.27Å; I144-T147 VanDerWaalsContact O-N 3.16Å; K145-T147 VanDerWaalsContact C-N 3.28Å; K145-T147 PolarHBondContact O-N 2.72Å; T147-A150 PolarHBondContact O-N 2.84Å; T147-V151 HydrophobicContact CG2-CG2 4.48Å; T147-V151 WeakPolarHBondContact O-CB 3.19Å; T147-V151 VanDerWaalsContact O-CG2 3.24Å; T147-V151 WeakPolarHBondContact O-CG2 3.37Å; T147-V151 PolarHBondContact O-N 2.56Å; T147-L304 HydrophobicContact CG2-CD1 3.67Å
148E98.9Very high98.8Very high9 Ų941.3 Ų41.34%0.04225%0.252CS..Hα-helixtrans-57.8-47171.5-175.5-173.5-143.500111.5I144 K145 A150 V151 S152 P159 F160 L161 L304I144-E148 PolarHBondContact O-N 3.27Å; K145-E148 WeakPolarHBondContact CE-OE2 3.34Å; K145-E148 IonicContact NZ-OE2 3.66Å; K145-E148 PolarHBondContact NZ-OE2 2.84Å; K145-E148 PolarHBondContact O-N 2.67Å; E148-A150 PolarHBondContact O-N 3.39Å; E148-V151 PolarHBondContact O-N 3.27Å; E148-S152 PolarHBondContact O-N 3.36Å; E148-P159 HydrophobicContact CG-CB 4.13Å; E148-P159 WeakPolarHBondContact OE1-CA 3.17Å; E148-F160 PolarHBondContact OE1-N 3.5Å; E148-L161 WeakPolarHBondContact OE1-CB 3.28Å; E148-L161 WeakPolarHBondContact OE1-CG 3.44Å; E148-L161 PolarHBondContact OE1-N 2.86Å; E148-L304 HydrophobicContact CB-CD2 3.84Å; E148-L304 HydrophobicContact CG-CD2 4.15Å
149A98.9Very high98.8Very high55 Ų5540.5 Ų40.546%0.45525%0.254SS..Hα-helixtrans-60.9-44.7177.500000111.9K145 V151 S152 E153K145-A149 PolarHBondContact O-N 2.63Å; A149-V151 PolarHBondContact O-N 2.69Å; A149-S152 WeakPolarHBondContact O-CB 3.08Å; A149-S152 PolarHBondContact O-N 2.72Å; A149-E153 PolarHBondContact O-N 2.71Å
150A98.9Very high98.8Very high12 Ų1242 Ų4210%0.09926%0.256CS..Hα-helixtrans-64.7-38178.100000112.4F14 H18 A146 T147 E148 E153 E154F14-A150 HydrophobicContact CE1-CB 3.99Å; F14-A150 HydrophobicContact CZ-CB 3.84Å; H18-A150 WeakPolarHBondContact NE2-CB 3.48Å; A146-A150 WeakPolarHBondContact O-CB 3.37Å; A146-A150 PolarHBondContact O-N 2.87Å; T147-A150 PolarHBondContact O-N 2.84Å; E148-A150 PolarHBondContact O-N 3.39Å; A150-E153 PolarHBondContact O-N 3.29Å; A150-E154 WeakPolarHBondContact O-CB 3.37Å; A150-E154 PolarHBondContact O-N 3.24Å
151V98.9Very high98.8Very high2 Ų242.2 Ų42.21%0.01226%0.257CS..Hα-helixtrans-65.1-41.4173.61670000111.3F14 V15 T147 E148 A149 F155 L157 L305F14-V151 HydrophobicContact CD1-CG2 4.07Å; F14-V151 HydrophobicContact CE1-CG2 3.94Å; V15-V151 HydrophobicContact CG2-CG2 3.58Å; T147-V151 HydrophobicContact CG2-CG2 4.48Å; T147-V151 WeakPolarHBondContact O-CB 3.19Å; T147-V151 VanDerWaalsContact O-CG2 3.24Å; T147-V151 WeakPolarHBondContact O-CG2 3.37Å; T147-V151 PolarHBondContact O-N 2.56Å; E148-V151 PolarHBondContact O-N 3.27Å; A149-V151 PolarHBondContact O-N 2.69Å; V151-F155 HydrophobicContact CG1-CD2 4.23Å; V151-F155 WeakPolarHBondContact O-CB 3.35Å; V151-F155 PolarHBondContact O-N 2.97Å; V151-L157 HydrophobicContact CG1-CB 4.27Å; V151-L157 HydrophobicContact CG1-CD1 3.79Å; V151-L305 HydrophobicContact CG1-CD2 4.12Å
152S98.8Very high98.8Very high34 Ų3443.6 Ų43.624%0.23827%0.267CS..Hα-helixtrans-62-44.3175.8175.60000111.9E148 A149 G156 L157 P159E148-S152 PolarHBondContact O-N 3.36Å; A149-S152 WeakPolarHBondContact O-CB 3.08Å; A149-S152 PolarHBondContact O-N 2.72Å; S152-G156 WeakPolarHBondContact O-CA 3.35Å; S152-G156 PolarHBondContact O-N 2.88Å; S152-L157 WeakPolarHBondContact CA-O 3.2Å; S152-L157 WeakPolarHBondContact CB-O 3.38Å; S152-L157 PolarHBondContact OG-O 2.9Å; S152-L157 VanDerWaalsContact OG-O 3.13Å; S152-P159 WeakPolarHBondContact OG-CD 3.25Å
153E98.7Very high98.7Very high174 Ų17448.4 Ų48.481%0.81329%0.288SS*.Hα-helixtrans-65.8-48.2179.8-176.6175.3-162.500111.6A149 A150A149-E153 PolarHBondContact O-N 2.71Å; A150-E153 PolarHBondContact O-N 3.29Å
154E98.6Very high98.7Very high125 Ų12555.2 Ų55.258%0.58432%0.319SS*.Hα-helixtrans-76.3-37.7-174.1-175.267-165.300112.9F14 A150F14-E154 HydrophobicContact CD2-CG 4.49Å; F14-E154 HydrophobicContact CE2-CB 4.35Å; F14-E154 HydrophobicContact CE2-CG 4.21Å; F14-E154 HydrophobicContact CZ-CB 4.09Å; F14-E154 HydrophobicContact CZ-CG 4.42Å; A150-E154 WeakPolarHBondContact O-CB 3.37Å; A150-E154 PolarHBondContact O-N 3.24Å
155F98.5Very high98.7Very high60 Ų6055.7 Ų55.726%0.26332%0.322SS..Hα-helixtrans-118.5-1.1-170.6-53-58.9000114.7Q11 F14 V151 L157Q11-F155 HydrophobicContact CB-CE2 4.22Å; Q11-F155 HydrophobicContact CB-CZ 4.27Å; Q11-F155 HydrophobicContact CG-CD1 3.73Å; Q11-F155 HydrophobicContact CG-CD2 3.9Å; Q11-F155 HydrophobicContact CG-CE1 3.66Å; Q11-F155 HydrophobicContact CG-CE2 3.83Å; Q11-F155 HydrophobicContact CG-CG 3.85Å; Q11-F155 HydrophobicContact CG-CZ 3.72Å; F14-F155 HydrophobicContact CB-CE2 3.85Å; F14-F155 HydrophobicContact CB-CZ 3.81Å; F14-F155 HydrophobicContact CD1-CD2 4.49Å; F14-F155 AromaticContact CD1-CE2 3.54Å; F14-F155 HydrophobicContact CD1-CE2 3.54Å; F14-F155 HydrophobicContact CD1-CZ 4.21Å; F14-F155 HydrophobicContact CD2-CE2 4.46Å; F14-F155 HydrophobicContact CD2-CZ 4.39Å; F14-F155 HydrophobicContact CE1-CE2 4.15Å; F14-F155 AromaticContact CG-CE2 3.7Å; F14-F155 HydrophobicContact CG-CE2 3.7Å; F14-F155 AromaticContact CG-CZ 3.89Å; F14-F155 HydrophobicContact CG-CZ 3.89Å; V151-F155 HydrophobicContact CG1-CD2 4.23Å; V151-F155 WeakPolarHBondContact O-CB 3.35Å; V151-F155 PolarHBondContact O-N 2.97Å; F155-L157 VanDerWaalsContact C-N 3.31Å; F155-L157 PolarHBondContact O-N 3.01Å
156G98.5Very high98.7Very high64 Ų6457.5 Ų57.566%0.6633%0.331SS*.  trans71.319.3176.300000115S152S152-G156 WeakPolarHBondContact O-CA 3.35Å; S152-G156 PolarHBondContact O-N 2.88Å
157L98.6Very high98.7Very high40 Ų4058.1 Ų58.121%0.20933%0.329CS..PPolyproline II helixtrans-81.7123.3175.5-69.3172.9000110.3V151 S152 F155 L305V151-L157 HydrophobicContact CG1-CB 4.27Å; V151-L157 HydrophobicContact CG1-CD1 3.79Å; S152-L157 WeakPolarHBondContact CA-O 3.2Å; S152-L157 WeakPolarHBondContact CB-O 3.38Å; S152-L157 PolarHBondContact OG-O 2.9Å; S152-L157 VanDerWaalsContact OG-O 3.13Å; F155-L157 VanDerWaalsContact C-N 3.31Å; F155-L157 PolarHBondContact O-N 3.01Å; L157-L305 HydrophobicContact CD1-CD2 4.06Å
158A98.6Very high98.7Very high67 Ų6758.3 Ų58.355%0.55433%0.33SS*.PPolyproline II helixtrans-64.9130.8-177.200000111.8Q306A158-Q306 PolarHBondContact O-NE2 2.97Å
159P98.7Very high98.7Very high72 Ų7258.2 Ų58.247%0.46833%0.329SS..PPolyproline II helixtrans-61147.4172.6-22.133.8000111.6E148 S152E148-P159 HydrophobicContact CG-CB 4.13Å; E148-P159 WeakPolarHBondContact OE1-CA 3.17Å; S152-P159 WeakPolarHBondContact OG-CD 3.25Å
160F98.8Very high98.6Very high58 Ų5855.6 Ų55.625%0.25431%0.308SS..  trans-144.2-16.5-179.369.1-86.9000114.1E148 P241 L303 Q306E148-F160 PolarHBondContact OE1-N 3.5Å; F160-P241 HydrophobicContact CD2-CG 3.63Å; F160-P241 HydrophobicContact CE2-CG 3.94Å; F160-P241 HydrophobicContact CG-CG 4.07Å; F160-L303 HydrophobicContact CE2-CD1 3.94Å; F160-L303 HydrophobicContact CZ-CD1 3.61Å; F160-L303 HydrophobicContact CZ-CG 3.9Å; F160-Q306 HydrophobicContact CE1-CG 4.17Å
161L98.8Very high98.6Very high8 Ų856.3 Ų56.34%0.04231%0.309CS..SBendtrans-69.6142.8178.7-64.1175000110.6W141 I144 K145 E148 V238 L303 L304W141-L161 HydrophobicContact CH2-CB 4.15Å; W141-L161 HydrophobicContact CH2-CD1 4.2Å; W141-L161 HydrophobicContact CH2-CD2 4.22Å; W141-L161 HydrophobicContact CH2-CG 4.43Å; W141-L161 HydrophobicContact CZ2-CB 4.15Å; I144-L161 HydrophobicContact CG2-CD1 3.61Å; K145-L161 HydrophobicContact CD-CB 4.07Å; K145-L161 PolarHBondContact NZ-O 3.16Å; E148-L161 WeakPolarHBondContact OE1-CB 3.28Å; E148-L161 WeakPolarHBondContact OE1-CG 3.44Å; E148-L161 PolarHBondContact OE1-N 2.86Å; L161-V238 HydrophobicContact CD2-CB 4.13Å; L161-V238 HydrophobicContact CD2-CG1 4.2Å; L161-V238 HydrophobicContact CD2-CG2 4.26Å; L161-L303 HydrophobicContact CD1-CD2 4.4Å; L161-L303 HydrophobicContact CD2-CD2 4.24Å; L161-L304 HydrophobicContact CD1-CD2 3.92Å
162P98.7Very high98.6Very high37 Ų3759.5 Ų59.524%0.2432%0.324CS..  trans-59151173.3-2434.2000112.6W141 K145 Q164 A195W141-P162 VanDerWaalsContact CZ2-O 3.25Å; W141-P162 WeakPolarHBondContact CZ2-O 3.18Å; W141-P162 PolarHBondContact NE1-O 2.97Å; K145-P162 WeakPolarHBondContact CD-O 3.32Å; P162-Q164 VanDerWaalsContact C-N 3.27Å; P162-Q164 PolarHBondContact O-N 3.35Å; P162-A195 HydrophobicContact CB-CB 4.31Å; P162-A195 HydrophobicContact CG-CB 3.94Å
163D98.3Very high98.5Very high136 Ų13657.9 Ų57.973%0.72731%0.313SS*.SBendtrans-68.7-29.4177.3-67.3-32.6000112.6W141 K145W141-D163 PolarHBondContact NE1-O 3.36Å; K145-D163 IonicContact NZ-OD1 3.77Å
164Q98.2Very high98.5Very high144 Ų14450.4 Ų50.467%0.67328%0.278SS*.SBendtrans-116.3141.7-178.2-62.3-179.26.100110.7P162P162-Q164 VanDerWaalsContact C-N 3.27Å; P162-Q164 PolarHBondContact O-N 3.35Å
165I98.8Very high98.4Very high12 Ų1248.6 Ų48.66%0.06228%0.279CS..  trans-93.2133.1167.1-168.2165.7000109.1V137 W141 F167 A195 F197 I236V137-I165 HydrophobicContact CG1-CD1 3.94Å; V137-I165 HydrophobicContact CG1-CG2 4.16Å; W141-I165 HydrophobicContact CB-CB 4.36Å; W141-I165 HydrophobicContact CB-CG2 3.99Å; W141-I165 HydrophobicContact CD2-CB 3.9Å; W141-I165 HydrophobicContact CD2-CD1 4.31Å; W141-I165 HydrophobicContact CD2-CG2 4.49Å; W141-I165 HydrophobicContact CE3-CB 4.45Å; W141-I165 HydrophobicContact CE3-CD1 4.02Å; W141-I165 HydrophobicContact CG-CB 3.82Å; W141-I165 HydrophobicContact CG-CG2 3.92Å; I165-F167 HydrophobicContact CG2-CE2 4.04Å; I165-F167 HydrophobicContact CG2-CZ 4.17Å; I165-A195 HydrophobicContact CG1-CB 4.34Å; I165-F197 HydrophobicContact CD1-CB 4.02Å; I165-F197 HydrophobicContact CG1-CB 4.29Å; I165-I236 HydrophobicContact CD1-CG1 4.13Å; I165-I236 HydrophobicContact CD1-CG2 4.01Å
166H98.8Very high98.4Very high72 Ų7251.2 Ų51.233%0.33329%0.287SS..EExtended strand (participates in β ladder)trans-91.3148.7178.5-66.2-84.2000111.1L193 A195 V196 F197H166-L193 HydrophobicContact CB-CB 4.46Å; H166-L193 HydrophobicContact CB-CD1 3.74Å; H166-A195 PolarHBondContact CD2-O 3.43Å; H166-A195 PolarHBondContact N-O 2.89Å; H166-V196 CarbonylContact O-C 3.56Å; H166-V196 VanDerWaalsContact O-CA 3.27Å; H166-V196 WeakPolarHBondContact O-CA 2.92Å; H166-V196 WeakPolarHBondContact O-CG2 3.35Å; H166-F197 PolarHBondContact O-N 3.42Å
167F98.7Very high98.4Very high39 Ų3950.2 Ų50.217%0.17126%0.264CS..EExtended strand (participates in β ladder)trans-108119.4176.4-66.7-95.8000108.8F130 K134 V137 E138 I165 F197F130-F167 HydrophobicContact CE2-CD1 4.46Å; F130-F167 HydrophobicContact CZ-CB 4.29Å; F130-F167 AromaticContact CZ-CD1 3.84Å; F130-F167 HydrophobicContact CZ-CD1 3.84Å; F130-F167 HydrophobicContact CZ-CG 4.29Å; K134-F167 HydrophobicContact CB-CE1 4.07Å; K134-F167 HydrophobicContact CB-CZ 4.19Å; K134-F167 HydrophobicContact CD-CD2 4.35Å; K134-F167 HydrophobicContact CD-CE2 4.29Å; K134-F167 HydrophobicContact CG-CD1 4.26Å; K134-F167 HydrophobicContact CG-CD2 4.13Å; K134-F167 HydrophobicContact CG-CE1 3.84Å; K134-F167 HydrophobicContact CG-CE2 3.68Å; K134-F167 HydrophobicContact CG-CG 4.42Å; K134-F167 HydrophobicContact CG-CZ 3.54Å; V137-F167 HydrophobicContact CB-CE1 3.89Å; V137-F167 HydrophobicContact CB-CZ 3.89Å; V137-F167 HydrophobicContact CG1-CE1 3.82Å; V137-F167 HydrophobicContact CG1-CZ 3.71Å; V137-F167 HydrophobicContact CG2-CE1 4.3Å; E138-F167 HydrophobicContact CG-CE2 4.07Å; E138-F167 HydrophobicContact CG-CZ 4.06Å; I165-F167 HydrophobicContact CG2-CE2 4.04Å; I165-F167 HydrophobicContact CG2-CZ 4.17Å; F167-F197 HydrophobicContact CD1-CB 3.89Å; F167-F197 AromaticContact CD1-CD1 3.67Å; F167-F197 HydrophobicContact CD1-CD1 3.67Å; F167-F197 HydrophobicContact CD1-CG 4.15Å; F167-F197 HydrophobicContact CE1-CB 3.86Å; F167-F197 AromaticContact CE1-CD1 3.73Å; F167-F197 HydrophobicContact CE1-CD1 3.73Å; F167-F197 AromaticContact CE1-CG 3.99Å; F167-F197 HydrophobicContact CE1-CG 3.99Å
168V98.5Very high98.3Very high4 Ų452.1 Ų52.12%0.02428%0.279CS..EExtended strand (participates in β ladder)trans-132.9134.2-179.7179.80000108.2E172 L173 I189 L193 V196 F197 L198 V199V168-E172 HydrophobicContact CG1-CB 4.31Å; V168-E172 HydrophobicContact CG1-CG 4.4Å; V168-L173 HydrophobicContact CG1-CB 4.41Å; V168-I189 HydrophobicContact CG2-CD1 4.3Å; V168-I189 HydrophobicContact CG2-CG1 4.38Å; V168-L193 HydrophobicContact CG2-CD1 3.81Å; V168-V196 HydrophobicContact CB-CG2 3.78Å; V168-V196 HydrophobicContact CG2-CG2 3.67Å; V168-F197 PolarHBondContact N-O 3.01Å; V168-F197 VanDerWaalsContact N-O 3.16Å; V168-L198 WeakPolarHBondContact O-CA 3.33Å; V168-L198 WeakPolarHBondContact O-CD1 3.36Å; V168-V199 PolarHBondContact O-N 2.73Å
169H98.7Very high98.3Very high8 Ų856.5 Ų56.54%0.03729%0.293CS..EExtended strand (participates in β ladder)trans-81.9143.9176.6-163.9-83.3000111Q171 E172 L173 H229 A230H169-Q171 VanDerWaalsContact ND1-CB 3.28Å; H169-Q171 WeakPolarHBondContact ND1-CB 3.18Å; H169-Q171 PolarHBondContact ND1-N 3.04Å; H169-Q171 PolarHBondContact O-N 2.97Å; H169-E172 HydrophobicContact CB-CB 4.3Å; H169-E172 WeakPolarHBondContact O-CA 3.48Å; H169-E172 WeakPolarHBondContact O-CB 3.44Å; H169-E172 PolarHBondContact O-N 2.89Å; H169-L173 PolarHBondContact O-N 2.86Å; H169-H229 WeakPolarHBondContact CE1-CB 3.27Å; H169-H229 AromaticContact CG-CD2 3.81Å; H169-H229 AromaticContact ND1-CD2 3.76Å; H169-H229 AromaticContact ND1-CG 3.84Å; H169-H229 VanDerWaalsContact NE2-CB 3.31Å; H169-H229 WeakPolarHBondContact NE2-CB 3.37Å; H169-A230 PolarHBondContact NE2-O 3.48Å
170S98.5Very high98.3Very high0 Ų056.8 Ų56.80%029%0.29CS..Hα-helixtrans-55.3-37.4177.3590000113.3L173 L174 V199 G200 L205S170-L173 WeakPolarHBondContact O-CB 3.36Å; S170-L173 PolarHBondContact O-N 2.8Å; S170-L174 PolarHBondContact O-N 3.34Å; S170-V199 WeakPolarHBondContact CB-O 3.22Å; S170-V199 PolarHBondContact N-O 2.93Å; S170-V199 PolarHBondContact OG-O 3.34Å; S170-G200 WeakPolarHBondContact CB-O 3.47Å; S170-G200 PolarHBondContact OG-O 3.04Å; S170-L205 WeakPolarHBondContact OG-CD2 2.95Å
171Q98.3Very high98.2Very high27 Ų2759.3 Ų59.313%0.12631%0.306CS..Hα-helixtrans-62.8-41.1171-176.157.569.500113.5H169 L173 L174 S175 L205 S206H169-Q171 VanDerWaalsContact ND1-CB 3.28Å; H169-Q171 WeakPolarHBondContact ND1-CB 3.18Å; H169-Q171 PolarHBondContact ND1-N 3.04Å; H169-Q171 PolarHBondContact O-N 2.97Å; Q171-L173 VanDerWaalsContact C-N 3.27Å; Q171-L174 WeakPolarHBondContact O-CB 3.49Å; Q171-L174 PolarHBondContact O-N 3.03Å; Q171-S175 PolarHBondContact O-N 2.77Å; Q171-S175 PolarHBondContact O-OG 3.28Å; Q171-L205 HydrophobicContact CB-CD2 4.29Å; Q171-S206 PolarHBondContact NE2-OG 3.26Å
172E97.7Very high98.2Very high69 Ų6959.9 Ų59.932%0.32231%0.312SS..Hα-helixtrans-66.1-38.2175.7-178.4-176176.600110.4V168 H169 L174 S175 R176V168-E172 HydrophobicContact CG1-CB 4.31Å; V168-E172 HydrophobicContact CG1-CG 4.4Å; H169-E172 HydrophobicContact CB-CB 4.3Å; H169-E172 WeakPolarHBondContact O-CA 3.48Å; H169-E172 WeakPolarHBondContact O-CB 3.44Å; H169-E172 PolarHBondContact O-N 2.89Å; E172-L174 VanDerWaalsContact C-N 3.32Å; E172-L174 PolarHBondContact O-N 3.05Å; E172-S175 WeakPolarHBondContact O-CA 3.46Å; E172-S175 WeakPolarHBondContact O-CB 3.44Å; E172-S175 PolarHBondContact O-N 3.49Å; E172-R176 HydrophobicContact CG-CG 4.39Å; E172-R176 WeakPolarHBondContact O-CG 3.26Å; E172-R176 PolarHBondContact O-N 3.06Å; E172-R176 IonicContact OE1-CZ 3.33Å; E172-R176 IonicContact OE1-NE 3.23Å; E172-R176 PolarHBondContact OE1-NE 3.14Å; E172-R176 IonicContact OE1-NH2 2.77Å; E172-R176 PolarHBondContact OE1-NH2 3.2Å
173L97.6Very high98.1Very high0 Ų062.3 Ų62.30%032%0.319CS..Hα-helixtrans-61.3-42.3176.9-153.6172.7000110.6V168 H169 S170 Q171 S175 R176 Y177 R185 I189 L198V168-L173 HydrophobicContact CG1-CB 4.41Å; H169-L173 PolarHBondContact O-N 2.86Å; S170-L173 WeakPolarHBondContact O-CB 3.36Å; S170-L173 PolarHBondContact O-N 2.8Å; Q171-L173 VanDerWaalsContact C-N 3.27Å; L173-S175 VanDerWaalsContact C-N 3.28Å; L173-S175 PolarHBondContact O-N 3.05Å; L173-R176 PolarHBondContact O-N 3.07Å; L173-Y177 HydrophobicContact CD2-CD2 3.88Å; L173-Y177 HydrophobicContact CD2-CE2 4.41Å; L173-Y177 HydrophobicContact CG-CD2 4.49Å; L173-Y177 PolarHBondContact O-N 3.27Å; L173-R185 HydrophobicContact CD2-CB 3.09Å; L173-R185 VanDerWaalsContact CD2-CD 3.45Å; L173-R185 HydrophobicContact CD2-CG 3.25Å; L173-R185 HydrophobicContact CG-CB 4.47Å; L173-I189 HydrophobicContact CD1-CB 4.05Å; L173-I189 HydrophobicContact CD1-CG1 4.49Å; L173-I189 HydrophobicContact CD1-CG2 3.53Å; L173-I189 HydrophobicContact CG-CB 4.3Å; L173-I189 HydrophobicContact CG-CG2 4.31Å; L173-L198 HydrophobicContact CB-CD1 4.31Å; L173-L198 HydrophobicContact CD1-CD1 3.42Å; L173-L198 VanDerWaalsContact CD1-CD1 3.42Å; L173-L198 HydrophobicContact CD1-CD2 3.83Å; L173-L198 HydrophobicContact CD1-CG 4.29Å; L173-L198 HydrophobicContact CG-CD1 4.45Å
174L98.1Very high98.1Very high17 Ų1756.2 Ų56.29%0.08929%0.288CS..Hα-helixtrans-57.3-39.6171.2-175.458.9000112.5S170 Q171 E172 P178 L205 S206 D207S170-L174 PolarHBondContact O-N 3.34Å; Q171-L174 WeakPolarHBondContact O-CB 3.49Å; Q171-L174 PolarHBondContact O-N 3.03Å; E172-L174 VanDerWaalsContact C-N 3.32Å; E172-L174 PolarHBondContact O-N 3.05Å; L174-P178 WeakPolarHBondContact O-CA 3.1Å; L174-L205 HydrophobicContact CB-CD1 4.2Å; L174-L205 HydrophobicContact CD2-CB 3.85Å; L174-L205 HydrophobicContact CD2-CD1 4.1Å; L174-S206 WeakPolarHBondContact CD2-OG 3.41Å; L174-D207 HydrophobicContact CD2-CB 4.05Å
175S97.6Very high98.1Very high86 Ų8649.9 Ų49.960%0.60126%0.258SS*.Hα-helixtrans-69.9-34.9176.8-57.10000113.3Q171 E172 L173Q171-S175 PolarHBondContact O-N 2.77Å; Q171-S175 PolarHBondContact O-OG 3.28Å; E172-S175 WeakPolarHBondContact O-CA 3.46Å; E172-S175 WeakPolarHBondContact O-CB 3.44Å; E172-S175 PolarHBondContact O-N 3.49Å; L173-S175 VanDerWaalsContact C-N 3.28Å; L173-S175 PolarHBondContact O-N 3.05Å
176R97.7Very high98.1Very high115 Ų11550 Ų5043%0.43426%0.258SS..Hα-helixtrans-75.2-38.8-177.6-73179.1180-1516.2113E172 L173E172-R176 HydrophobicContact CG-CG 4.39Å; E172-R176 WeakPolarHBondContact O-CG 3.26Å; E172-R176 PolarHBondContact O-N 3.06Å; E172-R176 IonicContact OE1-CZ 3.33Å; E172-R176 IonicContact OE1-NE 3.23Å; E172-R176 PolarHBondContact OE1-NE 3.14Å; E172-R176 IonicContact OE1-NH2 2.77Å; E172-R176 PolarHBondContact OE1-NH2 3.2Å; L173-R176 PolarHBondContact O-N 3.07Å
177Y98.2Very high98.1Very high43 Ų4351.3 Ų51.317%0.16926%0.261CS..SBendtrans-129.669.7178.4-40.2-87.5000110.4L173 D179 L180 A188 I189 D192L173-Y177 HydrophobicContact CD2-CD2 3.88Å; L173-Y177 HydrophobicContact CD2-CE2 4.41Å; L173-Y177 HydrophobicContact CG-CD2 4.49Å; L173-Y177 PolarHBondContact O-N 3.27Å; Y177-D179 PolarHBondContact O-N 3.09Å; Y177-L180 HydrophobicContact CD1-CD1 4.47Å; Y177-L180 HydrophobicContact CG-CD1 4.32Å; Y177-L180 PolarHBondContact O-N 2.92Å; Y177-A188 HydrophobicContact CD1-CB 3.85Å; Y177-A188 HydrophobicContact CD2-CB 4.12Å; Y177-A188 HydrophobicContact CE1-CB 3.66Å; Y177-A188 HydrophobicContact CE2-CB 3.95Å; Y177-A188 HydrophobicContact CG-CB 4.07Å; Y177-I189 HydrophobicContact CE2-CB 4.21Å; Y177-I189 HydrophobicContact CE2-CD1 4.3Å; Y177-D192 PolarHBondContact OH-OD2 3.34Å
178P97.6Very high98.1Very high81 Ų8150.3 Ų50.353%0.52626%0.259SS..THydrogen-bonded Turntrans-67.5-22.9-170.327.9-36.3000113.9L174 L180L174-P178 WeakPolarHBondContact O-CA 3.1Å; P178-L180 VanDerWaalsContact C-N 3.35Å
179D97.8Very high98.1Very high158 Ų15850.1 Ų50.185%0.84526%0.258SS*.THydrogen-bonded Turntrans-89.8-1.1-177.7-53.9-50.1000113.1Y177Y177-D179 PolarHBondContact O-N 3.09Å
180L98.2Very high98.1Very high79 Ų7949.8 Ų49.841%0.41426%0.257SS..SBendtrans-104.7143.1-177.4-62.3-174.9000111.8Y177 P178 R185 A188Y177-L180 HydrophobicContact CD1-CD1 4.47Å; Y177-L180 HydrophobicContact CG-CD1 4.32Å; Y177-L180 PolarHBondContact O-N 2.92Å; P178-L180 VanDerWaalsContact C-N 3.35Å; L180-R185 HydrophobicContact CB-CG 3.88Å; L180-R185 PolarHBondContact O-NE 3.33Å; L180-A188 HydrophobicContact CD1-CB 4.14Å
181D97.7Very high98.1Very high110 Ų11056.1 Ų56.159%0.58828%0.284SS*.  trans-66167.1167.772.6-22.3000111.2K183 G184 R185D181-K183 VanDerWaalsContact C-N 3.28Å; D181-K183 PolarHBondContact O-N 3.23Å; D181-G184 PolarHBondContact O-N 3.48Å; D181-G184 VanDerWaalsContact O-N 3.16Å; D181-G184 WeakPolarHBondContact OD1-CA 3.49Å; D181-G184 PolarHBondContact OD1-N 3.05Å; D181-R185 WeakPolarHBondContact O-CB 3.34Å; D181-R185 WeakPolarHBondContact O-CG 3.46Å; D181-R185 PolarHBondContact O-N 2.96Å
182A97.9Very high98.1Very high21 Ų2159.9 Ų59.917%0.17431%0.305CS..Hα-helixtrans-54.7-39.3-175.100000113.7R185 E186 H211A182-R185 WeakPolarHBondContact O-CB 3.28Å; A182-R185 PolarHBondContact O-N 2.72Å; A182-E186 WeakPolarHBondContact O-CG 3.36Å; A182-E186 PolarHBondContact O-N 2.62Å; A182-H211 WeakPolarHBondContact CB-O 3.46Å
183K97Very high98.2Very high88 Ų8858.7 Ų58.738%0.38330%0.301SS..Hα-helixtrans-75.8-37.1178.6-62.5-53.6177.5-163.60113D181 R185 E186 R187 D212D181-K183 VanDerWaalsContact C-N 3.28Å; D181-K183 PolarHBondContact O-N 3.23Å; K183-R185 VanDerWaalsContact C-N 3.25Å; K183-R185 PolarHBondContact O-N 3.23Å; K183-E186 WeakPolarHBondContact CD-OE2 3.38Å; K183-E186 IonicContact NZ-OE1 3.41Å; K183-E186 PolarHBondContact NZ-OE1 2.91Å; K183-E186 IonicContact NZ-OE2 3.44Å; K183-E186 PolarHBondContact NZ-OE2 2.91Å; K183-E186 VanDerWaalsContact NZ-OE2 3.08Å; K183-E186 PolarHBondContact O-N 3.06Å; K183-R187 WeakPolarHBondContact O-CB 3.44Å; K183-R187 PolarHBondContact O-N 2.92Å; K183-D212 IonicContact NZ-OD2 3.66Å; K183-D212 PolarHBondContact NZ-OD2 3.13Å
184G98.4Very high98.2Very high8 Ų859.5 Ų59.58%0.08231%0.309CS..Hα-helixtrans-61.8-38.417000000111.9D181 R187 A188D181-G184 PolarHBondContact O-N 3.48Å; D181-G184 VanDerWaalsContact O-N 3.16Å; D181-G184 WeakPolarHBondContact OD1-CA 3.49Å; D181-G184 PolarHBondContact OD1-N 3.05Å; G184-R187 PolarHBondContact O-N 3.09Å; G184-A188 WeakPolarHBondContact O-CB 3.49Å; G184-A188 PolarHBondContact O-N 3.22Å
185R98.7Very high98.3Very high10 Ų1058.7 Ų58.74%0.03830%0.304CS..Hα-helixtrans-59.9-51.7172.2-94.3-166.7-58.4138.4-3.6112.8L173 L180 D181 A182 K183 R187 A188 I189L173-R185 HydrophobicContact CD2-CB 3.09Å; L173-R185 VanDerWaalsContact CD2-CD 3.45Å; L173-R185 HydrophobicContact CD2-CG 3.25Å; L173-R185 HydrophobicContact CG-CB 4.47Å; L180-R185 HydrophobicContact CB-CG 3.88Å; L180-R185 PolarHBondContact O-NE 3.33Å; D181-R185 WeakPolarHBondContact O-CB 3.34Å; D181-R185 WeakPolarHBondContact O-CG 3.46Å; D181-R185 PolarHBondContact O-N 2.96Å; A182-R185 WeakPolarHBondContact O-CB 3.28Å; A182-R185 PolarHBondContact O-N 2.72Å; K183-R185 VanDerWaalsContact C-N 3.25Å; K183-R185 PolarHBondContact O-N 3.23Å; R185-R187 VanDerWaalsContact C-N 3.35Å; R185-R187 PolarHBondContact O-N 3.33Å; R185-A188 PolarHBondContact O-N 2.95Å; R185-I189 WeakPolarHBondContact O-CG2 3.43Å; R185-I189 PolarHBondContact O-N 2.87Å
186E98.7Very high98.3Very high15 Ų1554.6 Ų54.67%0.0728%0.276CS..Hα-helixtrans-56.8-45.7173.9-74.6169.4-157.700112A182 K183 I189 A190 L198 H211 L237 A246A182-E186 WeakPolarHBondContact O-CG 3.36Å; A182-E186 PolarHBondContact O-N 2.62Å; K183-E186 WeakPolarHBondContact CD-OE2 3.38Å; K183-E186 IonicContact NZ-OE1 3.41Å; K183-E186 PolarHBondContact NZ-OE1 2.91Å; K183-E186 IonicContact NZ-OE2 3.44Å; K183-E186 PolarHBondContact NZ-OE2 2.91Å; K183-E186 VanDerWaalsContact NZ-OE2 3.08Å; K183-E186 PolarHBondContact O-N 3.06Å; E186-I189 VanDerWaalsContact O-CG2 3.29Å; E186-I189 WeakPolarHBondContact O-CG2 3.35Å; E186-A190 VanDerWaalsContact O-CB 3.23Å; E186-A190 WeakPolarHBondContact O-CB 3.46Å; E186-A190 PolarHBondContact O-N 3.49Å; E186-L198 HydrophobicContact CG-CD2 4.16Å; E186-H211 IonicContact OE1-CD2 3.29Å; E186-H211 IonicContact OE1-CE1 3.67Å; E186-H211 IonicContact OE1-NE2 2.77Å; E186-H211 PolarHBondContact OE1-NE2 3.4Å; E186-L237 HydrophobicContact CB-CD1 4.16Å; E186-L237 HydrophobicContact CG-CD1 3.81Å; E186-A246 HydrophobicContact CB-CB 4.47Å
187R98.7Very high98.4Very high100 Ų10049.1 Ų49.138%0.37726%0.255SS..Hα-helixtrans-60.3-46.8177.2-174.5-178.1-63.81068112.3K183 G184 R185 K191 W239 D245K183-R187 WeakPolarHBondContact O-CB 3.44Å; K183-R187 PolarHBondContact O-N 2.92Å; G184-R187 PolarHBondContact O-N 3.09Å; R185-R187 VanDerWaalsContact C-N 3.35Å; R185-R187 PolarHBondContact O-N 3.33Å; R187-K191 VanDerWaalsContact O-CB 3.29Å; R187-K191 WeakPolarHBondContact O-CB 3.39Å; R187-K191 PolarHBondContact O-N 3.09Å; R187-W239 HydrophobicContact CG-CZ3 3.99Å; R187-D245 WeakPolarHBondContact CG-OD1 3.34Å; R187-D245 IonicContact CZ-OD1 3.35Å; R187-D245 IonicContact CZ-OD2 3.62Å; R187-D245 VanDerWaalsContact NE-CG 3.34Å; R187-D245 IonicContact NE-OD1 3.64Å; R187-D245 PolarHBondContact NE-OD1 2.87Å; R187-D245 IonicContact NE-OD2 2.78Å; R187-D245 PolarHBondContact NE-OD2 2.58Å; R187-D245 IonicContact NH2-OD1 2.88Å; R187-D245 PolarHBondContact NH2-OD1 3.17Å; R187-D245 IonicContact NH2-OD2 3.92Å; R187-D245 PolarHBondContact NH2-OD2 3.21Å
188A98.7Very high98.4Very high18 Ų1847 Ų4715%0.14925%0.247CC..Hα-helixtrans-62.4-49.3-178.900000111.2Y177 L180 G184 R185 A190 K191 D192Y177-A188 HydrophobicContact CD1-CB 3.85Å; Y177-A188 HydrophobicContact CD2-CB 4.12Å; Y177-A188 HydrophobicContact CE1-CB 3.66Å; Y177-A188 HydrophobicContact CE2-CB 3.95Å; Y177-A188 HydrophobicContact CG-CB 4.07Å; L180-A188 HydrophobicContact CD1-CB 4.14Å; G184-A188 WeakPolarHBondContact O-CB 3.49Å; G184-A188 PolarHBondContact O-N 3.22Å; R185-A188 PolarHBondContact O-N 2.95Å; A188-A190 PolarHBondContact O-N 2.77Å; A188-K191 PolarHBondContact O-N 3.27Å; A188-D192 WeakPolarHBondContact O-CB 3.29Å; A188-D192 VanDerWaalsContact O-CG 3.29Å; A188-D192 PolarHBondContact O-N 3.1Å
189I98.7Very high98.5Very high0 Ų043.2 Ų43.20%022%0.222CC..Hα-helixtrans-67.7-37.7-178.5-164.562.3000112.5V168 L173 Y177 R185 E186 K191 D192 L193 V196V168-I189 HydrophobicContact CG2-CD1 4.3Å; V168-I189 HydrophobicContact CG2-CG1 4.38Å; L173-I189 HydrophobicContact CD1-CB 4.05Å; L173-I189 HydrophobicContact CD1-CG1 4.49Å; L173-I189 HydrophobicContact CD1-CG2 3.53Å; L173-I189 HydrophobicContact CG-CB 4.3Å; L173-I189 HydrophobicContact CG-CG2 4.31Å; Y177-I189 HydrophobicContact CE2-CB 4.21Å; Y177-I189 HydrophobicContact CE2-CD1 4.3Å; R185-I189 WeakPolarHBondContact O-CG2 3.43Å; R185-I189 PolarHBondContact O-N 2.87Å; E186-I189 VanDerWaalsContact O-CG2 3.29Å; E186-I189 WeakPolarHBondContact O-CG2 3.35Å; I189-K191 VanDerWaalsContact C-N 3.34Å; I189-D192 PolarHBondContact O-N 3.16Å; I189-L193 HydrophobicContact CD1-CD1 3.55Å; I189-L193 HydrophobicContact CD1-CG 4.01Å; I189-L193 HydrophobicContact CG1-CD1 3.98Å; I189-L193 PolarHBondContact O-N 3.21Å; I189-V196 HydrophobicContact CG1-CG1 4.41Å; I189-V196 HydrophobicContact CG1-CG2 4.29Å; I189-V196 HydrophobicContact CG2-CG1 4.01Å
190A98.7Very high98.5Very high0 Ų035.8 Ų35.80%018%0.183CC..Hα-helixtrans-65-42.2177.200000110.4E186 A188 G194 W239 A246E186-A190 VanDerWaalsContact O-CB 3.23Å; E186-A190 WeakPolarHBondContact O-CB 3.46Å; E186-A190 PolarHBondContact O-N 3.49Å; A188-A190 PolarHBondContact O-N 2.77Å; A190-G194 WeakPolarHBondContact O-CA 3.42Å; A190-G194 PolarHBondContact O-N 2.88Å; A190-W239 WeakPolarHBondContact O-CB 3.36Å; A190-A246 HydrophobicContact CB-CB 3.73Å
191K98.6Very high98.5Very high134 Ų13432 Ų3258%0.58316%0.164SC*.Hα-helixtrans-64-39.6176.5-168.9174-178.81750112.7R187 A188 I189 W239R187-K191 VanDerWaalsContact O-CB 3.29Å; R187-K191 WeakPolarHBondContact O-CB 3.39Å; R187-K191 PolarHBondContact O-N 3.09Å; A188-K191 PolarHBondContact O-N 3.27Å; I189-K191 VanDerWaalsContact C-N 3.34Å; K191-W239 HydrophobicContact CB-CD2 4.16Å; K191-W239 HydrophobicContact CB-CE3 3.59Å; K191-W239 HydrophobicContact CB-CH2 4.24Å; K191-W239 HydrophobicContact CB-CZ3 3.64Å; K191-W239 HydrophobicContact CD-CH2 3.85Å; K191-W239 HydrophobicContact CD-CZ2 4.25Å; K191-W239 HydrophobicContact CD-CZ3 4.08Å; K191-W239 HydrophobicContact CG-CD2 4.24Å; K191-W239 HydrophobicContact CG-CE3 4.06Å; K191-W239 HydrophobicContact CG-CH2 4.03Å; K191-W239 HydrophobicContact CG-CZ2 4.21Å; K191-W239 HydrophobicContact CG-CZ3 3.96Å
192D98.4Very high98.5Very high105 Ų10527.2 Ų27.256%0.56114%0.14SC*.Hα-helixtrans-75.2-38.6-176-73.9-4.3000112.8Y177 A188 I189Y177-D192 PolarHBondContact OH-OD2 3.34Å; A188-D192 WeakPolarHBondContact O-CB 3.29Å; A188-D192 VanDerWaalsContact O-CG 3.29Å; A188-D192 PolarHBondContact O-N 3.1Å; I189-D192 PolarHBondContact O-N 3.16Å
193L98.6Very high98.5Very high45 Ų4527 Ų2724%0.23614%0.139CC..Hα-helixtrans-105.7-13.3-174.9-62.5-178.4000114H166 V168 I189 A195 V196H166-L193 HydrophobicContact CB-CB 4.46Å; H166-L193 HydrophobicContact CB-CD1 3.74Å; V168-L193 HydrophobicContact CG2-CD1 3.81Å; I189-L193 HydrophobicContact CD1-CD1 3.55Å; I189-L193 HydrophobicContact CD1-CG 4.01Å; I189-L193 HydrophobicContact CG1-CD1 3.98Å; I189-L193 PolarHBondContact O-N 3.21Å; L193-A195 PolarHBondContact O-N 2.92Å; L193-V196 HydrophobicContact CD1-CG2 4.46Å
194G98.8Very high98.5Very high16 Ų1631 Ų3117%0.16516%0.157CC..SBendtrans73-41.2-176.500000114.5A190 V238 W239A190-G194 WeakPolarHBondContact O-CA 3.42Å; A190-G194 PolarHBondContact O-N 2.88Å; G194-V238 CarbonylContact O-C 3.57Å; G194-V238 VanDerWaalsContact O-CA 3.26Å; G194-V238 WeakPolarHBondContact O-CA 3.47Å; G194-W239 PolarHBondContact O-N 3.44Å
195A98.9Very high98.5Very high0 Ų031.2 Ų31.20%016%0.156CC..EExtended strand (participates in β ladder)trans-145123.4176.900000110.7W141 P162 I165 H166 L193 V238W141-A195 HydrophobicContact CH2-CB 3.45Å; W141-A195 VanDerWaalsContact CH2-CB 3.45Å; W141-A195 HydrophobicContact CZ2-CB 3.47Å; W141-A195 VanDerWaalsContact CZ2-CB 3.47Å; W141-A195 HydrophobicContact CZ3-CB 4.22Å; P162-A195 HydrophobicContact CB-CB 4.31Å; P162-A195 HydrophobicContact CG-CB 3.94Å; I165-A195 HydrophobicContact CG1-CB 4.34Å; H166-A195 PolarHBondContact CD2-O 3.43Å; H166-A195 PolarHBondContact N-O 2.89Å; L193-A195 PolarHBondContact O-N 2.92Å; A195-V238 HydrophobicContact CB-CG1 4.19Å
196V98.9Very high98.5Very high0 Ų035.2 Ų35.20%019%0.186CC..EExtended strand (participates in β ladder)trans-137.4138.5-178.666.40000110.9H166 V168 I189 L193 L237H166-V196 CarbonylContact O-C 3.56Å; H166-V196 VanDerWaalsContact O-CA 3.27Å; H166-V196 WeakPolarHBondContact O-CA 2.92Å; H166-V196 WeakPolarHBondContact O-CG2 3.35Å; V168-V196 HydrophobicContact CB-CG2 3.78Å; V168-V196 HydrophobicContact CG2-CG2 3.67Å; I189-V196 HydrophobicContact CG1-CG1 4.41Å; I189-V196 HydrophobicContact CG1-CG2 4.29Å; I189-V196 HydrophobicContact CG2-CG1 4.01Å; L193-V196 HydrophobicContact CD1-CG2 4.46Å; V196-L237 HydrophobicContact CG1-CB 3.79Å; V196-L237 HydrophobicContact CG1-CD1 4.38Å; V196-L237 PolarHBondContact N-O 3.04Å; V196-L237 PolarHBondContact O-N 2.63Å; V196-L237 VanDerWaalsContact O-O 3.14Å
197F98.9Very high98.3Very high0 Ų037.7 Ų37.70%020%0.199CC..EExtended strand (participates in β ladder)trans-94.4109.1160.9-173.8-103.7000108.4L133 V137 I165 H166 F167 V168 V199 G234 D235 I236 M252L133-F197 HydrophobicContact CD1-CE1 4.31Å; L133-F197 HydrophobicContact CD1-CZ 4Å; L133-F197 HydrophobicContact CD2-CE1 3.77Å; L133-F197 HydrophobicContact CD2-CZ 4.16Å; L133-F197 HydrophobicContact CG-CE1 3.98Å; L133-F197 HydrophobicContact CG-CZ 4.19Å; V137-F197 HydrophobicContact CB-CD2 4.42Å; V137-F197 HydrophobicContact CB-CG 4.49Å; V137-F197 HydrophobicContact CG1-CB 3.9Å; V137-F197 HydrophobicContact CG1-CD2 3.8Å; V137-F197 HydrophobicContact CG1-CG 3.84Å; V137-F197 HydrophobicContact CG2-CD1 4.14Å; V137-F197 HydrophobicContact CG2-CD2 3.66Å; V137-F197 HydrophobicContact CG2-CE1 4.03Å; V137-F197 HydrophobicContact CG2-CE2 3.55Å; V137-F197 HydrophobicContact CG2-CG 3.95Å; V137-F197 HydrophobicContact CG2-CZ 3.73Å; I165-F197 HydrophobicContact CD1-CB 4.02Å; I165-F197 HydrophobicContact CG1-CB 4.29Å; H166-F197 PolarHBondContact O-N 3.42Å; F167-F197 HydrophobicContact CD1-CB 3.89Å; F167-F197 AromaticContact CD1-CD1 3.67Å; F167-F197 HydrophobicContact CD1-CD1 3.67Å; F167-F197 HydrophobicContact CD1-CG 4.15Å; F167-F197 HydrophobicContact CE1-CB 3.86Å; F167-F197 AromaticContact CE1-CD1 3.73Å; F167-F197 HydrophobicContact CE1-CD1 3.73Å; F167-F197 AromaticContact CE1-CG 3.99Å; F167-F197 HydrophobicContact CE1-CG 3.99Å; V168-F197 PolarHBondContact N-O 3.01Å; V168-F197 VanDerWaalsContact N-O 3.16Å; F197-V199 HydrophobicContact CD1-CG2 3.65Å; F197-V199 HydrophobicContact CE1-CG2 3.86Å; F197-G234 VanDerWaalsContact CE2-C 3.48Å; F197-G234 VanDerWaalsContact CZ-CA 3.43Å; F197-D235 CarbonylContact C-O 3.59Å; F197-D235 VanDerWaalsContact CA-O 3.29Å; F197-D235 WeakPolarHBondContact CA-O 3.32Å; F197-I236 HydrophobicContact CD2-CG1 3.82Å; F197-I236 HydrophobicContact CE2-CG1 4.39Å; F197-M252 HydrophobicContact CE2-CG 3.7Å; F197-M252 HydrophobicContact CE2-SD 4.13Å; F197-M252 HydrophobicContact CZ-CG 4.03Å
198L98.8Very high98.2Very high0 Ų035.1 Ų35.10%020%0.203CC..EExtended strand (participates in β ladder)trans-88.6107.9-177.1-173.558.2000110V168 L173 E186 I201 G234 D235 L237V168-L198 WeakPolarHBondContact O-CA 3.33Å; V168-L198 WeakPolarHBondContact O-CD1 3.36Å; L173-L198 HydrophobicContact CB-CD1 4.31Å; L173-L198 HydrophobicContact CD1-CD1 3.42Å; L173-L198 VanDerWaalsContact CD1-CD1 3.42Å; L173-L198 HydrophobicContact CD1-CD2 3.83Å; L173-L198 HydrophobicContact CD1-CG 4.29Å; L173-L198 HydrophobicContact CG-CD1 4.45Å; E186-L198 HydrophobicContact CG-CD2 4.16Å; L198-I201 HydrophobicContact CD2-CD1 3.86Å; L198-I201 HydrophobicContact CG-CD1 3.8Å; L198-G234 CarbonylContact O-C 3.5Å; L198-G234 WeakPolarHBondContact O-CA 3.48Å; L198-D235 PolarHBondContact N-O 2.83Å; L198-D235 PolarHBondContact O-N 3.16Å; L198-L237 HydrophobicContact CB-CD1 3.99Å; L198-L237 HydrophobicContact CD2-CD1 3.86Å
199V98.8Very high98.1Very high0 Ų040.3 Ų40.30%023%0.225CC..EExtended strand (participates in β ladder)trans-86145.7-172.2-172.80000111.4F130 V168 S170 F197 L227 N233F130-V199 HydrophobicContact CE2-CG1 4.13Å; F130-V199 HydrophobicContact CE2-CG2 3.77Å; F130-V199 HydrophobicContact CZ-CG2 4.28Å; V168-V199 PolarHBondContact O-N 2.73Å; S170-V199 WeakPolarHBondContact CB-O 3.22Å; S170-V199 PolarHBondContact N-O 2.93Å; S170-V199 PolarHBondContact OG-O 3.34Å; F197-V199 HydrophobicContact CD1-CG2 3.65Å; F197-V199 HydrophobicContact CE1-CG2 3.86Å; V199-L227 HydrophobicContact CB-CD1 4.11Å; V199-L227 HydrophobicContact CG1-CD1 3.99Å; V199-L227 HydrophobicContact CG2-CD1 3.93Å; V199-N233 WeakPolarHBondContact CA-O 3.39Å
200G98.4Very high98.1Very high3 Ų346.2 Ų46.23%0.03125%0.247CC..  trans78.363.9169.100000112.5S170 N233S170-G200 WeakPolarHBondContact CB-O 3.47Å; S170-G200 PolarHBondContact OG-O 3.04Å; G200-N233 PolarHBondContact N-O 3.46Å
201I98.5Very high98Very high0 Ų046.6 Ų46.60%025%0.248CC..  trans-107.1116.1179.3-50.3-61.1000109.7L198 H211 D212 R214 W221 N233L198-I201 HydrophobicContact CD2-CD1 3.86Å; L198-I201 HydrophobicContact CG-CD1 3.8Å; I201-H211 HydrophobicContact CD1-CB 4.12Å; I201-D212 HydrophobicContact CG2-CB 3.78Å; I201-R214 WeakPolarHBondContact O-CB 3.45Å; I201-W221 WeakPolarHBondContact O-CB 3.38Å; I201-N233 PolarHBondContact N-OD1 3.11Å; I201-N233 VanDerWaalsContact N-OD1 3.16Å; I201-N233 PolarHBondContact O-ND2 3.04Å
202G98Very high98Very high9 Ų942.9 Ų42.99%0.09324%0.235CC..SBendtrans132.9-42.4-178.900000112.3R210G202-R210 VanDerWaalsContact O-CB 3.32Å; G202-R210 WeakPolarHBondContact O-CB 3.39Å
203G97.7Very high97.8Very high15 Ų1540 Ų4016%0.15522%0.221CC..SBendtrans-69.7151.5177.700000113.6R210 W221G203-R210 WeakPolarHBondContact O-CA 3.27Å; G203-W221 VanDerWaalsContact CA-CE3 3.48Å; G203-W221 VanDerWaalsContact N-CE3 3.35Å
204K97.6Very high97.7Very high172 Ų17239.3 Ų39.375%0.74822%0.216SC*.BIsolated β-bridgetrans-69.7134.6174-67.5179.9-179.2176.90110.5
205L97.9Very high97.5Very high14 Ų1438.6 Ų38.67%0.07321%0.208CC..  trans-85.3179.1171.8-52.3-175.4000110.7S170 Q171 L174 D207 G208 H209 H211S170-L205 WeakPolarHBondContact OG-CD2 2.95Å; Q171-L205 HydrophobicContact CB-CD2 4.29Å; L174-L205 HydrophobicContact CB-CD1 4.2Å; L174-L205 HydrophobicContact CD2-CB 3.85Å; L174-L205 HydrophobicContact CD2-CD1 4.1Å; L205-D207 PolarHBondContact O-N 3.09Å; L205-D207 VanDerWaalsContact O-N 3.09Å; L205-G208 PolarHBondContact O-N 2.84Å; L205-H209 WeakPolarHBondContact CB-O 3.45Å; L205-H209 PolarHBondContact N-O 3.41Å; L205-H211 HydrophobicContact CD1-CB 4.17Å
206S97.3Very high97.4Very high94 Ų9438.8 Ų38.866%0.65721%0.209SC*.THydrogen-bonded Turntrans-59.5-19.4-179.460.10000115Q171 L174 G208Q171-S206 PolarHBondContact NE2-OG 3.26Å; L174-S206 WeakPolarHBondContact CD2-OG 3.41Å; S206-G208 VanDerWaalsContact C-N 3.32Å
207D96.5Very high97.3Very high67 Ų6738.8 Ų38.836%0.35821%0.209SC..THydrogen-bonded Turntrans-87.61.7176.263.76.4000113.4L174 L205 H209L174-D207 HydrophobicContact CD2-CB 4.05Å; L205-D207 PolarHBondContact O-N 3.09Å; L205-D207 VanDerWaalsContact O-N 3.09Å; D207-H209 VanDerWaalsContact C-N 3.3Å; D207-H209 PolarHBondContact O-CE1 3Å; D207-H209 PolarHBondContact O-ND1 3.43Å; D207-H209 PolarHBondContact OD1-N 2.95Å; D207-H209 IonicContact OD1-ND1 2.7Å
208G96.1Very high97.2Very high45 Ų4539.9 Ų39.946%0.46421%0.213SC..SBendtrans84-2.6-178.600000114.8L205 S206L205-G208 PolarHBondContact O-N 2.84Å; S206-G208 VanDerWaalsContact C-N 3.32Å
209H96.9Very high97.1Very high128 Ų12840 Ų4059%0.59321%0.214SC*.SBendtrans-106.3147.8179.7-54.585.7000110.4L205 D207L205-H209 WeakPolarHBondContact CB-O 3.45Å; L205-H209 PolarHBondContact N-O 3.41Å; D207-H209 VanDerWaalsContact C-N 3.3Å; D207-H209 PolarHBondContact O-CE1 3Å; D207-H209 PolarHBondContact O-ND1 3.43Å; D207-H209 PolarHBondContact OD1-N 2.95Å; D207-H209 IonicContact OD1-ND1 2.7Å
210R97.2Very high97.1Very high124 Ų12440 Ų4047%0.46821%0.214SC..BIsolated β-bridgetrans-76.1149.8167.660.6-168.3176.9-1512110.1G202 G203 D212G202-R210 VanDerWaalsContact O-CB 3.32Å; G202-R210 WeakPolarHBondContact O-CB 3.39Å; G203-R210 WeakPolarHBondContact O-CA 3.27Å; R210-D212 WeakPolarHBondContact CG-O 3.35Å
211H98.1Very high97.1Very high7 Ų740.4 Ų40.43%0.03222%0.215CC..SBendtrans-60.9-50.8174.9-17784.3000111.3A182 E186 I201 L205A182-H211 WeakPolarHBondContact CB-O 3.46Å; E186-H211 IonicContact OE1-CD2 3.29Å; E186-H211 IonicContact OE1-CE1 3.67Å; E186-H211 IonicContact OE1-NE2 2.77Å; E186-H211 PolarHBondContact OE1-NE2 3.4Å; I201-H211 HydrophobicContact CD1-CB 4.12Å; L205-H211 HydrophobicContact CD1-CB 4.17Å
212D96.8Very high97.1Very high56 Ų5641.4 Ų41.430%0.29922%0.221SC..SBendtrans-146.5167.8169.7-151.8-17.5000109K183 I201 R210K183-D212 IonicContact NZ-OD2 3.66Å; K183-D212 PolarHBondContact NZ-OD2 3.13Å; I201-D212 HydrophobicContact CG2-CB 3.78Å; R210-D212 WeakPolarHBondContact CG-O 3.35Å
213V95Very high97.2Very high45 Ų4542.6 Ų42.627%0.27323%0.227SC..  trans-73140.3177.1-163.40000110.6
214R95.9Very high97.2Very high31 Ų3146.9 Ų46.912%0.11725%0.252CS..  trans-141.8145.3171.3-157.270.575.3-174.314.7110.1I201 D219 D235 S251I201-R214 WeakPolarHBondContact O-CB 3.45Å; R214-D219 HydrophobicContact CG-CB 4.12Å; R214-D219 IonicContact NE-OD2 2.89Å; R214-D235 IonicContact CZ-OD1 3.64Å; R214-D235 IonicContact CZ-OD2 2.83Å; R214-D235 IonicContact NH1-OD1 3.91Å; R214-D235 IonicContact NH1-OD2 3.08Å; R214-D235 IonicContact NH2-OD1 3.26Å; R214-D235 PolarHBondContact NH2-OD1 3.08Å; R214-D235 IonicContact NH2-OD2 3.9Å; R214-D235 PolarHBondContact NH2-OD2 3.16Å; R214-S251 PolarHBondContact NH1-OG 3.19Å
215A95.2Very high97.1Very high1 Ų139.6 Ų39.61%0.00822%0.223CC..  trans-66147.8175.400000110.8L48 D217 Y218 W221L48-A215 WeakPolarHBondContact O-CB 3.45Å; A215-D217 WeakPolarHBondContact CB-OD1 3.29Å; A215-Y218 HydrophobicContact CB-CD1 4.02Å; A215-Y218 HydrophobicContact CB-CE1 3.26Å; A215-W221 PolarHBondContact O-NE1 2.7Å; A215-W221 VanDerWaalsContact O-NE1 3.09Å
216P97.2Very high96.9Very high3 Ų345.1 Ų45.12%0.01925%0.248CC..SBendtrans-82.1-12.2-177.132.3-37.2000114.6W221 Q264 L265 T268 D270P216-W221 HydrophobicContact CB-CZ2 4.38Å; P216-Q264 HydrophobicContact CB-CB 3.86Å; P216-Q264 PolarHBondContact O-NE2 3.3Å; P216-L265 HydrophobicContact CB-CD2 3.94Å; P216-L265 HydrophobicContact CB-CG 4.37Å; P216-L265 HydrophobicContact CG-CD2 3.51Å; P216-L265 HydrophobicContact CG-CG 4.45Å; P216-T268 HydrophobicContact CB-CG2 4.04Å; P216-T268 WeakPolarHBondContact CB-OG1 3.13Å; P216-T268 HydrophobicContact CG-CG2 4.37Å; P216-T268 WeakPolarHBondContact CG-OG1 3.5Å; P216-D270 HydrophobicContact CG-CB 4.28Å
217D96.9Very high96.7Very high0 Ų043.8 Ų43.80%023%0.233CC..SBendtrans-106.7-8.1-158.553.1-4.4000115.5K75 A215 V256 L261 R273 W278 H279K75-D217 HydrophobicContact CD-CB 4.36Å; K75-D217 WeakPolarHBondContact CE-OD2 3.31Å; K75-D217 IonicContact NZ-OD2 3.86Å; K75-D217 PolarHBondContact NZ-OD2 3.21Å; A215-D217 WeakPolarHBondContact CB-OD1 3.29Å; D217-V256 VanDerWaalsContact O-CG2 3.3Å; D217-V256 WeakPolarHBondContact O-CG2 3.41Å; D217-L261 HydrophobicContact CB-CD1 3.99Å; D217-R273 IonicContact OD2-NH1 2.95Å; D217-R273 PolarHBondContact OD2-NH1 3.4Å; D217-W278 WeakPolarHBondContact O-CH2 3.45Å; D217-W278 WeakPolarHBondContact O-CZ3 3.28Å; D217-H279 WeakPolarHBondContact CB-NE2 3.44Å; D217-H279 IonicContact OD2-NE2 3.79Å
218Y96.7Very high96.6Very high24 Ų2443.6 Ų43.69%0.09425%0.248CC..SBendtrans-128.4-44.7174.855.4-99.1000114.1D46 A74 K75 A215 R255 V256D46-Y218 WeakPolarHBondContact OD1-CE1 3.32Å; A74-Y218 HydrophobicContact CB-CD1 3.83Å; A74-Y218 HydrophobicContact CB-CD2 4.18Å; A74-Y218 HydrophobicContact CB-CE1 4.08Å; A74-Y218 HydrophobicContact CB-CE2 4.46Å; A74-Y218 HydrophobicContact CB-CG 3.88Å; K75-Y218 HydrophobicContact CG-CD1 4.44Å; A215-Y218 HydrophobicContact CB-CD1 4.02Å; A215-Y218 HydrophobicContact CB-CE1 3.26Å; Y218-R255 CarbonylContact O-C 3.47Å; Y218-R255 WeakPolarHBondContact O-CA 3.46Å; Y218-R255 WeakPolarHBondContact O-CB 3.43Å; Y218-R255 WeakPolarHBondContact O-CD 3.24Å; Y218-V256 PolarHBondContact O-N 3.45Å
219D97.3Very high96.7Very high2 Ų245.1 Ų45.11%0.01124%0.242CC..BIsolated β-bridgetrans-88.5134.6-179-87.3-14.9000112.2R214 W221 N233 R255 V256 Q264R214-D219 HydrophobicContact CG-CB 4.12Å; R214-D219 IonicContact NE-OD2 2.89Å; D219-W221 VanDerWaalsContact O-CD1 3.25Å; D219-W221 PolarHBondContact O-N 2.78Å; D219-N233 HydrophobicContact CB-CB 4.02Å; D219-N233 PolarHBondContact OD2-ND2 3.03Å; D219-R255 IonicContact OD1-CZ 2.68Å; D219-R255 IonicContact OD1-NH1 3.27Å; D219-R255 PolarHBondContact OD1-NH1 3.49Å; D219-V256 VanDerWaalsContact O-CG1 3.25Å; D219-V256 WeakPolarHBondContact O-CG1 3.4Å; D219-Q264 PolarHBondContact O-NE2 3.46Å; D219-Q264 PolarHBondContact O-OE1 2.85Å
220D98.7Very high96.7Very high0 Ų041 Ų410%023%0.23CC..  trans-85.6105.7167.6-175.9-15000110.9R128 S222 T223 L232 N233 I254 V256 T260R128-D220 IonicContact CZ-OD2 3.78Å; R128-D220 VanDerWaalsContact CZ-OD2 3.29Å; R128-D220 IonicContact NH1-OD2 2.95Å; R128-D220 PolarHBondContact NH1-OD2 2.75Å; R128-D220 VanDerWaalsContact NH1-OD2 3.12Å; R128-D220 IonicContact NH2-OD2 3.2Å; R128-D220 PolarHBondContact NH2-OD2 2.83Å; D220-S222 PolarHBondContact OD1-N 3.37Å; D220-T223 WeakPolarHBondContact OD1-CB 3.06Å; D220-T223 PolarHBondContact OD1-N 2.89Å; D220-T223 PolarHBondContact OD1-OG1 3.28Å; D220-T223 WeakPolarHBondContact OD2-CB 3.37Å; D220-T223 PolarHBondContact OD2-OG1 3.06Å; D220-L232 HydrophobicContact CB-CB 4.27Å; D220-L232 CarbonylContact O-C 3.5Å; D220-L232 VanDerWaalsContact O-C 3.3Å; D220-L232 WeakPolarHBondContact O-CA 3.15Å; D220-L232 PolarHBondContact O-N 3.01Å; D220-N233 PolarHBondContact O-N 3.13Å; D220-I254 WeakPolarHBondContact CB-O 3.2Å; D220-I254 PolarHBondContact N-O 2.98Å; D220-I254 VanDerWaalsContact N-O 3.14Å; D220-V256 HydrophobicContact CB-CG1 4.38Å; D220-T260 HydrophobicContact CB-CG2 4.21Å
221W98.5Very high96.8Very high12 Ų1235 Ų355%0.04521%0.208CC..  trans-111.910.3175.645.2-99.2000112.6I201 G203 A215 P216 D219 N233 Q264 L267 T268I201-W221 WeakPolarHBondContact O-CB 3.38Å; G203-W221 VanDerWaalsContact CA-CE3 3.48Å; G203-W221 VanDerWaalsContact N-CE3 3.35Å; A215-W221 PolarHBondContact O-NE1 2.7Å; A215-W221 VanDerWaalsContact O-NE1 3.09Å; P216-W221 HydrophobicContact CB-CZ2 4.38Å; D219-W221 VanDerWaalsContact O-CD1 3.25Å; D219-W221 PolarHBondContact O-N 2.78Å; W221-N233 WeakPolarHBondContact CB-OD1 3.42Å; W221-Q264 HydrophobicContact CD2-CG 4.27Å; W221-Q264 HydrophobicContact CE3-CG 4.38Å; W221-Q264 HydrophobicContact CH2-CB 3.95Å; W221-Q264 HydrophobicContact CH2-CG 3.8Å; W221-Q264 HydrophobicContact CZ2-CB 3.62Å; W221-Q264 HydrophobicContact CZ2-CG 3.64Å; W221-Q264 HydrophobicContact CZ3-CG 4.17Å; W221-L267 HydrophobicContact CH2-CB 4.06Å; W221-L267 HydrophobicContact CH2-CD1 3.82Å; W221-L267 HydrophobicContact CZ3-CD1 3.68Å; W221-T268 HydrophobicContact CH2-CG2 4.33Å; W221-T268 HydrophobicContact CZ2-CG2 4.12Å
222S98.5Very high96.8Very high20 Ų2034.9 Ų34.914%0.1421%0.207CC..SBendtrans-124-20.4-170.859.30000114.8D220 P224 A230 T260 Q264D220-S222 PolarHBondContact OD1-N 3.37Å; S222-P224 WeakPolarHBondContact O-CD 3.45Å; S222-A230 WeakPolarHBondContact O-CB 3.45Å; S222-T260 WeakPolarHBondContact OG-CG2 3.47Å; S222-Q264 WeakPolarHBondContact OG-CG 3.31Å; S222-Q264 PolarHBondContact OG-OE1 3.37Å
223T98.5Very high96.9Very high35 Ų3532.2 Ų32.222%0.21519%0.193CC..SBendtrans-69.6125.2176-680000111.1R128 D220 S225 A230 G231 L232R128-T223 PolarHBondContact NH1-OG1 2.95Å; D220-T223 WeakPolarHBondContact OD1-CB 3.06Å; D220-T223 PolarHBondContact OD1-N 2.89Å; D220-T223 PolarHBondContact OD1-OG1 3.28Å; D220-T223 WeakPolarHBondContact OD2-CB 3.37Å; D220-T223 PolarHBondContact OD2-OG1 3.06Å; T223-S225 PolarHBondContact O-N 3.24Å; T223-A230 WeakPolarHBondContact O-CA 3.26Å; T223-G231 PolarHBondContact O-N 2.91Å; T223-L232 HydrophobicContact CG2-CD1 3.88Å; T223-L232 HydrophobicContact CG2-CG 4.37Å
224P97.9Very high97.1Very high105 Ų10530 Ų3068%0.68218%0.18SC*.BIsolated β-bridgetrans-57.6134171.1-24.335.2000112S222S222-P224 WeakPolarHBondContact O-CD 3.45Å
225S95.7Very high97.2Very high18 Ų1828.8 Ų28.813%0.12618%0.176CC..  trans-113172.7-179.4720000112.7T223 L227 G228 H229T223-S225 PolarHBondContact O-N 3.24Å; S225-L227 PolarHBondContact O-N 2.8Å; S225-L227 WeakPolarHBondContact OG-CB 3.1Å; S225-L227 PolarHBondContact OG-N 2.78Å; S225-G228 PolarHBondContact O-N 3.14Å; S225-H229 PolarHBondContact N-O 3.21Å; S225-H229 PolarHBondContact OG-O 2.73Å
226E93.2Very high97.4Very high131 Ų13128.8 Ų28.861%0.61218%0.175SC*.THydrogen-bonded Turntrans-59.4-14.4173.4-60.3169.8-118.100113.3G228E226-G228 PolarHBondContact O-N 2.63Å
227L92.9Very high97.5Very high65 Ų6528.7 Ų28.734%0.3418%0.175SC..THydrogen-bonded Turntrans-74.7-4.9172.1-67.8177.1000113.6F130 V199 S225 H229F130-L227 HydrophobicContact CD1-CD1 4.44Å; F130-L227 HydrophobicContact CD1-CD2 4.42Å; F130-L227 HydrophobicContact CD1-CG 4.04Å; F130-L227 HydrophobicContact CD2-CD1 4.01Å; F130-L227 HydrophobicContact CD2-CG 4.34Å; F130-L227 HydrophobicContact CE1-CD1 3.99Å; F130-L227 HydrophobicContact CE1-CD2 3.89Å; F130-L227 HydrophobicContact CE1-CG 3.83Å; F130-L227 HydrophobicContact CE2-CD1 3.52Å; F130-L227 HydrophobicContact CE2-CG 4.17Å; F130-L227 HydrophobicContact CG-CD1 4.46Å; F130-L227 HydrophobicContact CG-CG 4.3Å; F130-L227 HydrophobicContact CZ-CD1 3.51Å; F130-L227 HydrophobicContact CZ-CD2 4.15Å; F130-L227 HydrophobicContact CZ-CG 3.91Å; V199-L227 HydrophobicContact CB-CD1 4.11Å; V199-L227 HydrophobicContact CG1-CD1 3.99Å; V199-L227 HydrophobicContact CG2-CD1 3.93Å; S225-L227 PolarHBondContact O-N 2.8Å; S225-L227 WeakPolarHBondContact OG-CB 3.1Å; S225-L227 PolarHBondContact OG-N 2.78Å; L227-H229 VanDerWaalsContact C-N 3.29Å; L227-H229 PolarHBondContact O-N 3.07Å
228G95Very high97.5Very high64 Ų6428.7 Ų28.766%0.6618%0.175SC*.SBendtrans82.33.5-178.900000114.5S225 E226S225-G228 PolarHBondContact O-N 3.14Å; E226-G228 PolarHBondContact O-N 2.63Å
229H97.6Very high97.7Very high76 Ų7630.3 Ų30.335%0.35218%0.18SC..SBendtrans-133.1163.5177.8-59.4-54.1000111.2H169 S225 L227H169-H229 WeakPolarHBondContact CE1-CB 3.27Å; H169-H229 AromaticContact CG-CD2 3.81Å; H169-H229 AromaticContact ND1-CD2 3.76Å; H169-H229 AromaticContact ND1-CG 3.84Å; H169-H229 VanDerWaalsContact NE2-CB 3.31Å; H169-H229 WeakPolarHBondContact NE2-CB 3.37Å; S225-H229 PolarHBondContact N-O 3.21Å; S225-H229 PolarHBondContact OG-O 2.73Å; L227-H229 VanDerWaalsContact C-N 3.29Å; L227-H229 PolarHBondContact O-N 3.07Å
230A98Very high97.7Very high41 Ų4130.3 Ų30.334%0.33918%0.18SC..BIsolated β-bridgetrans-78.9133.2-178.300000112.7H169 S222 T223H169-A230 PolarHBondContact NE2-O 3.48Å; S222-A230 WeakPolarHBondContact O-CB 3.45Å; T223-A230 WeakPolarHBondContact O-CA 3.26Å
231G98.2Very high97.7Very high0 Ų033.1 Ų33.10%020%0.199CC..  trans138.2127.4173.600000113.1T223T223-G231 PolarHBondContact O-N 2.91Å
232L98.7Very high97.7Very high3 Ų335.2 Ų35.22%0.01621%0.213CC..SBendtrans-116.128.5168.8-61.9175.9000111.1R128 F130 L133 D220 T223 G253 I254R128-L232 HydrophobicContact CG-CD1 4.49Å; F130-L232 HydrophobicContact CB-CD2 4.29Å; L133-L232 WeakPolarHBondContact CD2-O 3.42Å; D220-L232 HydrophobicContact CB-CB 4.27Å; D220-L232 CarbonylContact O-C 3.5Å; D220-L232 VanDerWaalsContact O-C 3.3Å; D220-L232 WeakPolarHBondContact O-CA 3.15Å; D220-L232 PolarHBondContact O-N 3.01Å; T223-L232 HydrophobicContact CG2-CD1 3.88Å; T223-L232 HydrophobicContact CG2-CG 4.37Å; L232-G253 CarbonylContact O-C 3.53Å; L232-G253 WeakPolarHBondContact O-CA 3.46Å; L232-I254 HydrophobicContact CB-CB 3.93Å; L232-I254 HydrophobicContact CB-CD1 4.28Å; L232-I254 HydrophobicContact CB-CG1 4.48Å; L232-I254 HydrophobicContact CD1-CB 4.47Å; L232-I254 HydrophobicContact CD1-CD1 4.32Å; L232-I254 HydrophobicContact CD1-CG2 4.31Å; L232-I254 HydrophobicContact CD2-CD1 4.47Å; L232-I254 PolarHBondContact O-N 2.98Å
233N98.9Very high97.7Very high0 Ų036.4 Ų36.40%022%0.217CC..EExtended strand (participates in β ladder)trans-132.8174.6174.680.1-29.7000111.2V199 G200 I201 D219 D220 W221 M252V199-N233 WeakPolarHBondContact CA-O 3.39Å; G200-N233 PolarHBondContact N-O 3.46Å; I201-N233 PolarHBondContact N-OD1 3.11Å; I201-N233 VanDerWaalsContact N-OD1 3.16Å; I201-N233 PolarHBondContact O-ND2 3.04Å; D219-N233 HydrophobicContact CB-CB 4.02Å; D219-N233 PolarHBondContact OD2-ND2 3.03Å; D220-N233 PolarHBondContact O-N 3.13Å; W221-N233 WeakPolarHBondContact CB-OD1 3.42Å; N233-M252 CarbonylContact C-O 3.6Å; N233-M252 VanDerWaalsContact CA-O 3.31Å; N233-M252 WeakPolarHBondContact CA-O 3.32Å; N233-M252 WeakPolarHBondContact CB-O 3.43Å
234G98.7Very high97.7Very high0 Ų041.8 Ų41.80%024%0.24CC..EExtended strand (participates in β ladder)trans173.4-178.1174.100000114.3F197 L198 M252F197-G234 VanDerWaalsContact CE2-C 3.48Å; F197-G234 VanDerWaalsContact CZ-CA 3.43Å; L198-G234 CarbonylContact O-C 3.5Å; L198-G234 WeakPolarHBondContact O-CA 3.48Å; G234-M252 PolarHBondContact N-O 3.44Å; G234-M252 PolarHBondContact O-N 2.9Å; G234-M252 VanDerWaalsContact O-O 3.09Å
235D98.8Very high97.8Very high5 Ų539 Ų393%0.02722%0.219CC..EExtended strand (participates in β ladder)trans-119.1141.5-178.9-63.4-37.8000111.9F197 L198 R214 E248 S250 S251F197-D235 CarbonylContact C-O 3.59Å; F197-D235 VanDerWaalsContact CA-O 3.29Å; F197-D235 WeakPolarHBondContact CA-O 3.32Å; L198-D235 PolarHBondContact N-O 2.83Å; L198-D235 PolarHBondContact O-N 3.16Å; R214-D235 IonicContact CZ-OD1 3.64Å; R214-D235 IonicContact CZ-OD2 2.83Å; R214-D235 IonicContact NH1-OD1 3.91Å; R214-D235 IonicContact NH1-OD2 3.08Å; R214-D235 IonicContact NH2-OD1 3.26Å; R214-D235 PolarHBondContact NH2-OD1 3.08Å; R214-D235 IonicContact NH2-OD2 3.9Å; R214-D235 PolarHBondContact NH2-OD2 3.16Å; D235-E248 HydrophobicContact CB-CG 4.46Å; D235-S250 CarbonylContact C-O 3.3Å; D235-S250 WeakPolarHBondContact CA-O 3.31Å; D235-S251 VanDerWaalsContact OD1-CA 3.28Å; D235-S251 WeakPolarHBondContact OD1-CA 3.27Å; D235-S251 WeakPolarHBondContact OD1-CB 3.3Å; D235-S251 PolarHBondContact OD1-OG 3.31Å
236I98.9Very high97.9Very high0 Ų038.7 Ų38.70%022%0.218CC..EExtended strand (participates in β ladder)trans-84.8114.4166.9-64177.6000108.3I140 W141 I165 F197 V238 E248 L249 S250 M252I140-I236 HydrophobicContact CG2-CD1 4.05Å; W141-I236 HydrophobicContact CZ3-CG2 4.34Å; I165-I236 HydrophobicContact CD1-CG1 4.13Å; I165-I236 HydrophobicContact CD1-CG2 4.01Å; F197-I236 HydrophobicContact CD2-CG1 3.82Å; F197-I236 HydrophobicContact CE2-CG1 4.39Å; I236-V238 HydrophobicContact CG2-CG1 4.43Å; I236-E248 WeakPolarHBondContact O-CA 3.44Å; I236-L249 HydrophobicContact CB-CB 4.31Å; I236-L249 HydrophobicContact CG2-CB 4.05Å; I236-L249 HydrophobicContact CG2-CD1 4.06Å; I236-L249 PolarHBondContact O-N 3.21Å; I236-S250 PolarHBondContact N-O 3.4Å; I236-M252 HydrophobicContact CD1-CE 3.56Å; I236-M252 HydrophobicContact CG1-CE 4.1Å
237L98.9Very high98.2Very high2 Ų232.5 Ų32.51%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-114.4133.8174.5-64.8164.9000109.7E186 V196 L198 F247 E248E186-L237 HydrophobicContact CB-CD1 4.16Å; E186-L237 HydrophobicContact CG-CD1 3.81Å; V196-L237 HydrophobicContact CG1-CB 3.79Å; V196-L237 HydrophobicContact CG1-CD1 4.38Å; V196-L237 PolarHBondContact N-O 3.04Å; V196-L237 PolarHBondContact O-N 2.63Å; V196-L237 VanDerWaalsContact O-O 3.14Å; L198-L237 HydrophobicContact CB-CD1 3.99Å; L198-L237 HydrophobicContact CD2-CD1 3.86Å; L237-F247 WeakPolarHBondContact CA-O 3.33Å; L237-E248 HydrophobicContact CD2-CB 3.67Å; L237-E248 HydrophobicContact CD2-CG 4.13Å
238V98.9Very high98.4Very high0 Ų032 Ų320%019%0.186CC..EExtended strand (participates in β ladder)trans-125.3156.2172.7-56.80000110.8W141 L161 G194 A195 I236 A246 F247 L249 L303W141-V238 HydrophobicContact CH2-CG1 3.64Å; W141-V238 HydrophobicContact CZ3-CG1 3.68Å; L161-V238 HydrophobicContact CD2-CB 4.13Å; L161-V238 HydrophobicContact CD2-CG1 4.2Å; L161-V238 HydrophobicContact CD2-CG2 4.26Å; G194-V238 CarbonylContact O-C 3.57Å; G194-V238 VanDerWaalsContact O-CA 3.26Å; G194-V238 WeakPolarHBondContact O-CA 3.47Å; A195-V238 HydrophobicContact CB-CG1 4.19Å; I236-V238 HydrophobicContact CG2-CG1 4.43Å; V238-A246 CarbonylContact O-C 3.56Å; V238-F247 HydrophobicContact CG2-CB 3.89Å; V238-F247 HydrophobicContact CG2-CD1 4.25Å; V238-F247 HydrophobicContact CG2-CG 4.44Å; V238-F247 PolarHBondContact N-O 2.95Å; V238-F247 WeakPolarHBondContact O-CB 3.38Å; V238-F247 PolarHBondContact O-N 3.39Å; V238-L249 HydrophobicContact CG1-CD1 3.83Å; V238-L249 HydrophobicContact CG2-CD1 4.05Å; V238-L249 HydrophobicContact CG2-CG 4.42Å; V238-L303 HydrophobicContact CG2-CD1 3.99Å; V238-L303 HydrophobicContact CG2-CD2 3.76Å
239W98.9Very high98.6Very high57 Ų5729.1 Ų29.122%0.21616%0.155CC..EExtended strand (participates in β ladder)trans-77.4120165.2-176.5-105.4000109.5R187 A190 K191 G194 P241 E244R187-W239 HydrophobicContact CG-CZ3 3.99Å; A190-W239 WeakPolarHBondContact O-CB 3.36Å; K191-W239 HydrophobicContact CB-CD2 4.16Å; K191-W239 HydrophobicContact CB-CE3 3.59Å; K191-W239 HydrophobicContact CB-CH2 4.24Å; K191-W239 HydrophobicContact CB-CZ3 3.64Å; K191-W239 HydrophobicContact CD-CH2 3.85Å; K191-W239 HydrophobicContact CD-CZ2 4.25Å; K191-W239 HydrophobicContact CD-CZ3 4.08Å; K191-W239 HydrophobicContact CG-CD2 4.24Å; K191-W239 HydrophobicContact CG-CE3 4.06Å; K191-W239 HydrophobicContact CG-CH2 4.03Å; K191-W239 HydrophobicContact CG-CZ2 4.21Å; K191-W239 HydrophobicContact CG-CZ3 3.96Å; G194-W239 PolarHBondContact O-N 3.44Å; W239-P241 WeakPolarHBondContact O-CD 3.4Å; W239-E244 WeakPolarHBondContact CH2-O 3.31Å; W239-E244 HydrophobicContact CZ2-CB 4.23Å
240N98.9Very high98.7Very high2 Ų225.6 Ų25.61%0.01114%0.139CC..EExtended strand (participates in β ladder)trans-95.9108.1173.5-176.6-27.6000109.4V242 L243 E244 D245 F247 L303N240-V242 PolarHBondContact O-N 3.13Å; N240-V242 WeakPolarHBondContact OD1-CA 3.46Å; N240-V242 VanDerWaalsContact OD1-CB 3.32Å; N240-V242 WeakPolarHBondContact OD1-CB 3.29Å; N240-V242 PolarHBondContact OD1-N 2.89Å; N240-L243 HydrophobicContact CB-CB 4.33Å; N240-L243 PolarHBondContact O-N 3.09Å; N240-L243 PolarHBondContact OD1-N 3.4Å; N240-E244 WeakPolarHBondContact O-CA 3.38Å; N240-E244 PolarHBondContact O-N 3.15Å; N240-D245 PolarHBondContact N-O 2.92Å; N240-D245 PolarHBondContact O-N 3.06Å; N240-F247 HydrophobicContact CB-CB 3.77Å; N240-F247 HydrophobicContact CB-CD2 3.93Å; N240-F247 HydrophobicContact CB-CG 4.12Å; N240-F247 VanDerWaalsContact ND2-CD2 3.31Å; N240-F247 WeakPolarHBondContact ND2-CD2 3.44Å; N240-L303 HydrophobicContact CB-CD1 4.04Å
241P98.5Very high98.7Very high60 Ų6025 Ų2539%0.3913%0.132SC..THydrogen-bonded Turntrans-68.9-18.4-177.529.3-35.6000113.5F160 W239F160-P241 HydrophobicContact CD2-CG 3.63Å; F160-P241 HydrophobicContact CE2-CG 3.94Å; F160-P241 HydrophobicContact CG-CG 4.07Å; W239-P241 WeakPolarHBondContact O-CD 3.4Å
242V98.6Very high98.7Very high56 Ų5625 Ų2534%0.33913%0.132SC..THydrogen-bonded Turntrans-77.6-36.2176.7-1790000111.1N240 Q306 P308N240-V242 PolarHBondContact O-N 3.13Å; N240-V242 WeakPolarHBondContact OD1-CA 3.46Å; N240-V242 VanDerWaalsContact OD1-CB 3.32Å; N240-V242 WeakPolarHBondContact OD1-CB 3.29Å; N240-V242 PolarHBondContact OD1-N 2.89Å; V242-Q306 HydrophobicContact CG2-CB 3.95Å; V242-P308 HydrophobicContact CG1-CB 3.93Å
243L98.5Very high98.7Very high44 Ų4424.8 Ų24.823%0.2313%0.131CC..THydrogen-bonded Turntrans-93.9-13.8178.5-63.2-178.2000113.3P108 L109 N240 D245 F247 M302 P308P108-L243 HydrophobicContact CB-CD2 4.14Å; L109-L243 HydrophobicContact CD2-CD1 3.38Å; L109-L243 HydrophobicContact CG-CD1 4.15Å; N240-L243 HydrophobicContact CB-CB 4.33Å; N240-L243 PolarHBondContact O-N 3.09Å; N240-L243 PolarHBondContact OD1-N 3.4Å; L243-D245 PolarHBondContact O-N 3.35Å; L243-F247 HydrophobicContact CD1-CD2 3.92Å; L243-F247 HydrophobicContact CD1-CE2 4.05Å; L243-M302 HydrophobicContact CD1-CE 4.14Å; L243-P308 VanDerWaalsContact CD2-O 3.31Å; L243-P308 WeakPolarHBondContact CD2-O 3.08Å
244E98.5Very high98.7Very high148 Ų14824.8 Ų24.869%0.69213%0.131SC*.THydrogen-bonded Turntrans53.640.8-173-57.4-176.4-178.900112.5W239 N240W239-E244 WeakPolarHBondContact CH2-O 3.31Å; W239-E244 HydrophobicContact CZ2-CB 4.23Å; N240-E244 WeakPolarHBondContact O-CA 3.38Å; N240-E244 PolarHBondContact O-N 3.15Å
245D98.6Very high98.7Very high46 Ų4625.1 Ų25.125%0.24613%0.132CC..EExtended strand (participates in β ladder)trans-147.7166.9-178.1-148.3-17.4000112.3R187 N240 L243R187-D245 WeakPolarHBondContact CG-OD1 3.34Å; R187-D245 IonicContact CZ-OD1 3.35Å; R187-D245 IonicContact CZ-OD2 3.62Å; R187-D245 VanDerWaalsContact NE-CG 3.34Å; R187-D245 IonicContact NE-OD1 3.64Å; R187-D245 PolarHBondContact NE-OD1 2.87Å; R187-D245 IonicContact NE-OD2 2.78Å; R187-D245 PolarHBondContact NE-OD2 2.58Å; R187-D245 IonicContact NH2-OD1 2.88Å; R187-D245 PolarHBondContact NH2-OD1 3.17Å; R187-D245 IonicContact NH2-OD2 3.92Å; R187-D245 PolarHBondContact NH2-OD2 3.21Å; N240-D245 PolarHBondContact N-O 2.92Å; N240-D245 PolarHBondContact O-N 3.06Å; L243-D245 PolarHBondContact O-N 3.35Å
246A98.5Very high98.7Very high13 Ų1324.9 Ų24.911%0.10713%0.131CC..EExtended strand (participates in β ladder)trans-61.6141.7164.800000110.6E186 A190 V238E186-A246 HydrophobicContact CB-CB 4.47Å; A190-A246 HydrophobicContact CB-CB 3.73Å; V238-A246 CarbonylContact O-C 3.56Å
247F98.7Very high98.7Very high0 Ų027.1 Ų27.10%014%0.143CC..EExtended strand (participates in β ladder)trans-134.2108.8-174.9-168.2-79.2000109.7L109 L237 V238 N240 L243 L249 R299 M302 L303L109-F247 HydrophobicContact CD2-CD2 3.33Å; L109-F247 HydrophobicContact CD2-CE2 3.11Å; L109-F247 HydrophobicContact CD2-CG 4.42Å; L109-F247 HydrophobicContact CD2-CZ 4.07Å; L237-F247 WeakPolarHBondContact CA-O 3.33Å; V238-F247 HydrophobicContact CG2-CB 3.89Å; V238-F247 HydrophobicContact CG2-CD1 4.25Å; V238-F247 HydrophobicContact CG2-CG 4.44Å; V238-F247 PolarHBondContact N-O 2.95Å; V238-F247 WeakPolarHBondContact O-CB 3.38Å; V238-F247 PolarHBondContact O-N 3.39Å; N240-F247 HydrophobicContact CB-CB 3.77Å; N240-F247 HydrophobicContact CB-CD2 3.93Å; N240-F247 HydrophobicContact CB-CG 4.12Å; N240-F247 VanDerWaalsContact ND2-CD2 3.31Å; N240-F247 WeakPolarHBondContact ND2-CD2 3.44Å; L243-F247 HydrophobicContact CD1-CD2 3.92Å; L243-F247 HydrophobicContact CD1-CE2 4.05Å; F247-L249 HydrophobicContact CD1-CD2 3.86Å; F247-L249 HydrophobicContact CD1-CG 3.98Å; F247-L249 HydrophobicContact CE1-CD2 3.56Å; F247-L249 HydrophobicContact CE1-CG 4.19Å; F247-R299 HydrophobicContact CE1-CB 3.76Å; F247-R299 HydrophobicContact CE1-CG 4.33Å; F247-R299 WeakPolarHBondContact CE1-O 3.4Å; F247-R299 HydrophobicContact CZ-CB 3.83Å; F247-R299 HydrophobicContact CZ-CG 4.13Å; F247-R299 VanDerWaalsContact CZ-O 3.22Å; F247-R299 WeakPolarHBondContact CZ-O 3.36Å; F247-M302 HydrophobicContact CE2-CE 4.03Å; F247-M302 HydrophobicContact CE2-CG 4.08Å; F247-M302 HydrophobicContact CE2-SD 3.79Å; F247-M302 HydrophobicContact CZ-CG 3.73Å; F247-M302 HydrophobicContact CZ-SD 3.79Å; F247-L303 HydrophobicContact CD1-CD1 4.37Å; F247-L303 HydrophobicContact CD1-CD2 4.47Å; F247-L303 HydrophobicContact CE1-CB 4.09Å; F247-L303 HydrophobicContact CG-CD1 4.44Å; F247-L303 HydrophobicContact CZ-CB 4.26Å
248E98.6Very high98.6Very high56 Ų5628.4 Ų28.426%0.26215%0.154SC..EExtended strand (participates in β ladder)trans-81.8117.2179.7-175.9-143.8151.100110.8D235 I236 L237 S251 R299D235-E248 HydrophobicContact CB-CG 4.46Å; I236-E248 WeakPolarHBondContact O-CA 3.44Å; L237-E248 HydrophobicContact CD2-CB 3.67Å; L237-E248 HydrophobicContact CD2-CG 4.13Å; E248-S251 PolarHBondContact OE1-OG 3.28Å; E248-R299 VanDerWaalsContact CD-NH1 3.31Å; E248-R299 WeakPolarHBondContact O-CD 3.14Å; E248-R299 PolarHBondContact O-NH1 3.05Å; E248-R299 IonicContact OE1-NH1 3.23Å; E248-R299 IonicContact OE2-CZ 2.63Å; E248-R299 IonicContact OE2-NH1 3.12Å; E248-R299 PolarHBondContact OE2-NH1 3.45Å
249L98.6Very high98.6Very high2 Ų234.1 Ų34.11%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-95.1-34.4-178.2-76.8170.8000113.6I144 I236 V238 F247 G296 L300 L303I144-L249 HydrophobicContact CD1-CD1 4.23Å; I236-L249 HydrophobicContact CB-CB 4.31Å; I236-L249 HydrophobicContact CG2-CB 4.05Å; I236-L249 HydrophobicContact CG2-CD1 4.06Å; I236-L249 PolarHBondContact O-N 3.21Å; V238-L249 HydrophobicContact CG1-CD1 3.83Å; V238-L249 HydrophobicContact CG2-CD1 4.05Å; V238-L249 HydrophobicContact CG2-CG 4.42Å; F247-L249 HydrophobicContact CD1-CD2 3.86Å; F247-L249 HydrophobicContact CD1-CG 3.98Å; F247-L249 HydrophobicContact CE1-CD2 3.56Å; F247-L249 HydrophobicContact CE1-CG 4.19Å; L249-G296 PolarHBondContact O-N 3Å; L249-L300 HydrophobicContact CD1-CD1 4.44Å; L249-L300 HydrophobicContact CD2-CB 4.15Å; L249-L300 HydrophobicContact CD2-CD1 3.94Å; L249-L303 HydrophobicContact CD1-CD2 3.7Å; L249-L303 HydrophobicContact CD2-CD2 3.75Å; L249-L303 HydrophobicContact CG-CD2 4.12Å
250S98.7Very high98.6Very high2 Ų231.9 Ų31.91%0.01418%0.177CC..EExtended strand (participates in β ladder)trans-156.5147.6-169.3-172.10000111.9D235 I236 M252 G294 I295D235-S250 CarbonylContact C-O 3.3Å; D235-S250 WeakPolarHBondContact CA-O 3.31Å; I236-S250 PolarHBondContact N-O 3.4Å; S250-M252 WeakPolarHBondContact OG-CE 3.42Å; S250-G294 WeakPolarHBondContact CA-O 3.31Å; S250-G294 WeakPolarHBondContact CB-O 3.3Å; S250-G294 PolarHBondContact OG-O 3.17Å; S250-I295 WeakPolarHBondContact OG-CG1 3.46Å
251S98Very high98.6Very high28 Ų2831.8 Ų31.820%0.19618%0.177CC..EExtended strand (participates in β ladder)trans-116.9133.4161.6-58.50000109R214 D235 E248 G293 G294R214-S251 PolarHBondContact NH1-OG 3.19Å; D235-S251 VanDerWaalsContact OD1-CA 3.28Å; D235-S251 WeakPolarHBondContact OD1-CA 3.27Å; D235-S251 WeakPolarHBondContact OD1-CB 3.3Å; D235-S251 PolarHBondContact OD1-OG 3.31Å; E248-S251 PolarHBondContact OE1-OG 3.28Å; S251-G293 CarbonylContact O-C 3.52Å; S251-G293 WeakPolarHBondContact O-CA 3.44Å; S251-G294 PolarHBondContact N-O 3.3Å; S251-G294 PolarHBondContact O-N 3.07Å
252M98.8Very high98.6Very high0 Ų033.7 Ų33.70%018%0.179CC..EExtended strand (participates in β ladder)trans-154.4162.2-178.765.1-175.772.100112.1W119 V137 I140 F197 N233 G234 I236 S250 G292W119-M252 HydrophobicContact CZ2-CB 4.19Å; W119-M252 HydrophobicContact CZ2-CE 4.48Å; W119-M252 HydrophobicContact CZ2-SD 4.15Å; V137-M252 HydrophobicContact CG2-CG 4.48Å; V137-M252 HydrophobicContact CG2-SD 3.59Å; V137-M252 VanDerWaalsContact CG2-SD 3.59Å; I140-M252 HydrophobicContact CD1-CE 3.59Å; I140-M252 HydrophobicContact CD1-SD 3.74Å; F197-M252 HydrophobicContact CE2-CG 3.7Å; F197-M252 HydrophobicContact CE2-SD 4.13Å; F197-M252 HydrophobicContact CZ-CG 4.03Å; N233-M252 CarbonylContact C-O 3.6Å; N233-M252 VanDerWaalsContact CA-O 3.31Å; N233-M252 WeakPolarHBondContact CA-O 3.32Å; N233-M252 WeakPolarHBondContact CB-O 3.43Å; G234-M252 PolarHBondContact N-O 3.44Å; G234-M252 PolarHBondContact O-N 2.9Å; G234-M252 VanDerWaalsContact O-O 3.09Å; I236-M252 HydrophobicContact CD1-CE 3.56Å; I236-M252 HydrophobicContact CG1-CE 4.1Å; S250-M252 WeakPolarHBondContact OG-CE 3.42Å; M252-G292 CarbonylContact C-O 3.57Å; M252-G292 WeakPolarHBondContact CA-O 3.17Å; M252-G292 VanDerWaalsContact CB-O 3.24Å; M252-G292 WeakPolarHBondContact CB-O 3.3Å
253G98.8Very high98.6Very high0 Ų035.7 Ų35.70%018%0.184CC..EExtended strand (participates in β ladder)trans-172.9161.6176.100000113.4L232 G292L232-G253 CarbonylContact O-C 3.53Å; L232-G253 WeakPolarHBondContact O-CA 3.46Å; G253-G292 PolarHBondContact N-O 2.63Å; G253-G292 PolarHBondContact O-N 2.97Å
254I98.8Very high98.6Very high0 Ų033.6 Ų33.60%017%0.173CC..EExtended strand (participates in β ladder)trans-64.2132.8159.2-67.3173.8000106.7M123 R128 Q129 L133 D220 L232 I291M123-I254 HydrophobicContact CE-CD1 4Å; M123-I254 HydrophobicContact CE-CG1 4.08Å; M123-I254 HydrophobicContact CE-CG2 4.24Å; M123-I254 HydrophobicContact SD-CG1 4.17Å; M123-I254 HydrophobicContact SD-CG2 3.97Å; R128-I254 HydrophobicContact CG-CG2 3.87Å; Q129-I254 WeakPolarHBondContact O-CD1 3.25Å; L133-I254 HydrophobicContact CB-CD1 4.23Å; L133-I254 HydrophobicContact CB-CG1 4.45Å; D220-I254 WeakPolarHBondContact CB-O 3.2Å; D220-I254 PolarHBondContact N-O 2.98Å; D220-I254 VanDerWaalsContact N-O 3.14Å; L232-I254 HydrophobicContact CB-CB 3.93Å; L232-I254 HydrophobicContact CB-CD1 4.28Å; L232-I254 HydrophobicContact CB-CG1 4.48Å; L232-I254 HydrophobicContact CD1-CB 4.47Å; L232-I254 HydrophobicContact CD1-CD1 4.32Å; L232-I254 HydrophobicContact CD1-CG2 4.31Å; L232-I254 HydrophobicContact CD2-CD1 4.47Å; L232-I254 PolarHBondContact O-N 2.98Å; I254-I291 HydrophobicContact CG1-CB 4.4Å; I254-I291 HydrophobicContact CG1-CD1 4.07Å; I254-I291 HydrophobicContact CG1-CG1 4.26Å
255R98.8Very high98.6Very high7 Ų726.5 Ų26.53%0.02614%0.14CC..BIsolated β-bridgetrans-77.3152-173.9-55.3-46-175.617412.8112.3R78 E120 R128 Y218 D219 D257 Q289 T290 G292 G293R78-R255 VanDerWaalsContact NH1-CB 3.34Å; E120-R255 WeakPolarHBondContact OE1-CG 3.38Å; E120-R255 IonicContact OE1-CZ 3.58Å; E120-R255 IonicContact OE1-NE 2.72Å; E120-R255 PolarHBondContact OE1-NE 2.85Å; E120-R255 IonicContact OE1-NH2 3.75Å; E120-R255 IonicContact OE2-CZ 3.96Å; E120-R255 IonicContact OE2-NE 3.91Å; E120-R255 PolarHBondContact OE2-NE 2.85Å; E120-R255 IonicContact OE2-NH2 3.27Å; E120-R255 PolarHBondContact OE2-NH2 2.96Å; R128-R255 PolarHBondContact NH2-O 2.91Å; Y218-R255 CarbonylContact O-C 3.47Å; Y218-R255 WeakPolarHBondContact O-CA 3.46Å; Y218-R255 WeakPolarHBondContact O-CB 3.43Å; Y218-R255 WeakPolarHBondContact O-CD 3.24Å; D219-R255 IonicContact OD1-CZ 2.68Å; D219-R255 IonicContact OD1-NH1 3.27Å; D219-R255 PolarHBondContact OD1-NH1 3.49Å; R255-D257 PolarHBondContact O-N 2.79Å; R255-Q289 PolarHBondContact O-NE2 3.34Å; R255-T290 WeakPolarHBondContact CB-O 3.32Å; R255-T290 WeakPolarHBondContact CG-O 3.48Å; R255-T290 WeakPolarHBondContact CG-OG1 3.25Å; R255-T290 PolarHBondContact N-O 3.38Å; R255-G292 VanDerWaalsContact CZ-O 3.24Å; R255-G292 PolarHBondContact NH1-O 2.82Å; R255-G292 PolarHBondContact NH2-O 3.12Å; R255-G293 VanDerWaalsContact NH2-N 3.14Å
256V98.7Very high98.6Very high0 Ų026.9 Ų26.90%015%0.15CC..PPolyproline II helixtrans-52.6139.2173.3-61.80000110.9R78 D217 Y218 D219 D220 T260 L261 Q264 L282R78-V256 PolarHBondContact NH1-O 2.8Å; R78-V256 PolarHBondContact NH2-O 3.06Å; D217-V256 VanDerWaalsContact O-CG2 3.3Å; D217-V256 WeakPolarHBondContact O-CG2 3.41Å; Y218-V256 PolarHBondContact O-N 3.45Å; D219-V256 VanDerWaalsContact O-CG1 3.25Å; D219-V256 WeakPolarHBondContact O-CG1 3.4Å; D220-V256 HydrophobicContact CB-CG1 4.38Å; V256-T260 HydrophobicContact CB-CG2 4.2Å; V256-T260 HydrophobicContact CG1-CG2 3.94Å; V256-L261 HydrophobicContact CB-CB 4.4Å; V256-L261 HydrophobicContact CG2-CB 4.15Å; V256-L261 HydrophobicContact CG2-CD1 4.08Å; V256-Q264 VanDerWaalsContact CG1-NE2 3.27Å; V256-L282 HydrophobicContact CG2-CD2 4.08Å
257D98.5Very high98.5Very high46 Ų4631.1 Ų31.125%0.24617%0.17CC..  trans-90.6-177.3162.658.527.5000109.9R128 R255 D259 T260 L261R128-D257 IonicContact CZ-OD2 2.67Å; R128-D257 IonicContact NE-OD2 3.3Å; R128-D257 PolarHBondContact NE-OD2 2.91Å; R128-D257 IonicContact NH1-OD2 2.71Å; R128-D257 IonicContact NH2-OD2 3.51Å; R255-D257 PolarHBondContact O-N 2.79Å; D257-D259 VanDerWaalsContact C-N 3.3Å; D257-D259 PolarHBondContact O-N 3.2Å; D257-D259 PolarHBondContact OD1-N 3.14Å; D257-T260 PolarHBondContact O-N 2.85Å; D257-T260 WeakPolarHBondContact OD1-CB 3.27Å; D257-T260 PolarHBondContact OD1-N 3.49Å; D257-T260 PolarHBondContact OD1-OG1 2.68Å; D257-L261 WeakPolarHBondContact O-CB 3.25Å; D257-L261 PolarHBondContact O-N 3.06Å
258A98.3Very high98.4Very high29 Ų2933.4 Ų33.424%0.2418%0.184CC..Hα-helixtrans-60.9-36-176.500000113.4K262 L283A258-K262 WeakPolarHBondContact O-CG 3.44Å; A258-K262 PolarHBondContact O-N 3.04Å; A258-L283 HydrophobicContact CB-CD2 3.91Å
259D98.5Very high98.4Very high120 Ų12033.2 Ų33.264%0.64220%0.197SC*.Hα-helixtrans-79.6-42.9-178.6-70-30.9000111.1D257 L261 K262 H263D257-D259 VanDerWaalsContact C-N 3.3Å; D257-D259 PolarHBondContact O-N 3.2Å; D257-D259 PolarHBondContact OD1-N 3.14Å; D259-L261 VanDerWaalsContact C-N 3.3Å; D259-L261 PolarHBondContact O-N 2.9Å; D259-K262 PolarHBondContact O-N 2.93Å; D259-H263 WeakPolarHBondContact O-CB 3.41Å; D259-H263 PolarHBondContact O-N 3.23Å
260T98.6Very high98.3Very high11 Ų1134.9 Ų34.97%0.06721%0.206CC..Hα-helixtrans-61.1-40.1174.3-51.80000111D220 S222 V256 D257 H263 Q264D220-T260 HydrophobicContact CB-CG2 4.21Å; S222-T260 WeakPolarHBondContact OG-CG2 3.47Å; V256-T260 HydrophobicContact CB-CG2 4.2Å; V256-T260 HydrophobicContact CG1-CG2 3.94Å; D257-T260 PolarHBondContact O-N 2.85Å; D257-T260 WeakPolarHBondContact OD1-CB 3.27Å; D257-T260 PolarHBondContact OD1-N 3.49Å; D257-T260 PolarHBondContact OD1-OG1 2.68Å; T260-H263 PolarHBondContact O-N 3.27Å; T260-Q264 HydrophobicContact CG2-CG 4.12Å; T260-Q264 WeakPolarHBondContact O-CB 3.4Å; T260-Q264 WeakPolarHBondContact O-CG 3.41Å; T260-Q264 PolarHBondContact O-N 2.92Å
261L98.6Very high98.2Very high0 Ų039 Ų390%023%0.225CC..Hα-helixtrans-56.7-53.8175.4177.469.9000111D217 V256 D257 D259 H263 Q264 L265 L274 L282 L283D217-L261 HydrophobicContact CB-CD1 3.99Å; V256-L261 HydrophobicContact CB-CB 4.4Å; V256-L261 HydrophobicContact CG2-CB 4.15Å; V256-L261 HydrophobicContact CG2-CD1 4.08Å; D257-L261 WeakPolarHBondContact O-CB 3.25Å; D257-L261 PolarHBondContact O-N 3.06Å; D259-L261 VanDerWaalsContact C-N 3.3Å; D259-L261 PolarHBondContact O-N 2.9Å; L261-H263 VanDerWaalsContact C-N 3.28Å; L261-H263 PolarHBondContact O-N 3.38Å; L261-Q264 PolarHBondContact O-N 2.93Å; L261-L265 HydrophobicContact CD1-CD1 3.83Å; L261-L265 HydrophobicContact CD1-CG 4.18Å; L261-L265 HydrophobicContact CG-CD1 3.82Å; L261-L265 HydrophobicContact CG-CG 4.48Å; L261-L265 WeakPolarHBondContact O-CB 3.33Å; L261-L265 VanDerWaalsContact O-CG 3.27Å; L261-L265 WeakPolarHBondContact O-CG 3.22Å; L261-L265 PolarHBondContact O-N 3.39Å; L261-L274 HydrophobicContact CD2-CD2 4.38Å; L261-L282 HydrophobicContact CD2-CD2 3.91Å; L261-L282 HydrophobicContact CD2-CG 4.37Å; L261-L283 HydrophobicContact CD2-CD2 4.02Å; L261-L283 HydrophobicContact CD2-CG 4.38Å
262K98.7Very high98.2Very high100 Ų10043.2 Ų43.244%0.43525%0.245SC..Hα-helixtrans-59.4-42.2178.8-69.6173.3-169.7166.40111.3A258 D259 A266 L274 L283A258-K262 WeakPolarHBondContact O-CG 3.44Å; A258-K262 PolarHBondContact O-N 3.04Å; D259-K262 PolarHBondContact O-N 2.93Å; K262-A266 WeakPolarHBondContact O-CB 3.3Å; K262-A266 PolarHBondContact O-N 3.32Å; K262-A266 VanDerWaalsContact O-N 3.17Å; K262-L274 HydrophobicContact CG-CD2 4.35Å; K262-L283 HydrophobicContact CD-CD2 4.45Å; K262-L283 VanDerWaalsContact CE-CD2 3.5Å; K262-L283 HydrophobicContact CG-CD2 4.2Å
263H98.6Very high98.1Very high97 Ų9744 Ų4445%0.44925%0.248SC..Hα-helixtrans-62.1-51.4179.1179.752.4000112D259 T260 L261 A266 L267D259-H263 WeakPolarHBondContact O-CB 3.41Å; D259-H263 PolarHBondContact O-N 3.23Å; T260-H263 PolarHBondContact O-N 3.27Å; L261-H263 VanDerWaalsContact C-N 3.28Å; L261-H263 PolarHBondContact O-N 3.38Å; H263-A266 PolarHBondContact O-N 3.1Å; H263-L267 WeakPolarHBondContact O-CG 3.18Å; H263-L267 PolarHBondContact O-N 2.93Å
264Q98.7Very high98Very high0 Ų045.6 Ų45.60%026%0.257CS..Hα-helixtrans-69.9-36-176.7-69.9-172.6168.500112.9P216 D219 W221 S222 V256 T260 L261 A266 L267 T268P216-Q264 HydrophobicContact CB-CB 3.86Å; P216-Q264 PolarHBondContact O-NE2 3.3Å; D219-Q264 PolarHBondContact O-NE2 3.46Å; D219-Q264 PolarHBondContact O-OE1 2.85Å; W221-Q264 HydrophobicContact CD2-CG 4.27Å; W221-Q264 HydrophobicContact CE3-CG 4.38Å; W221-Q264 HydrophobicContact CH2-CB 3.95Å; W221-Q264 HydrophobicContact CH2-CG 3.8Å; W221-Q264 HydrophobicContact CZ2-CB 3.62Å; W221-Q264 HydrophobicContact CZ2-CG 3.64Å; W221-Q264 HydrophobicContact CZ3-CG 4.17Å; S222-Q264 WeakPolarHBondContact OG-CG 3.31Å; S222-Q264 PolarHBondContact OG-OE1 3.37Å; V256-Q264 VanDerWaalsContact CG1-NE2 3.27Å; T260-Q264 HydrophobicContact CG2-CG 4.12Å; T260-Q264 WeakPolarHBondContact O-CB 3.4Å; T260-Q264 WeakPolarHBondContact O-CG 3.41Å; T260-Q264 PolarHBondContact O-N 2.92Å; L261-Q264 PolarHBondContact O-N 2.93Å; Q264-A266 VanDerWaalsContact C-N 3.32Å; Q264-A266 PolarHBondContact O-N 3.43Å; Q264-L267 PolarHBondContact O-N 3.49Å; Q264-T268 PolarHBondContact O-N 2.9Å; Q264-T268 VanDerWaalsContact O-N 3.1Å; Q264-T268 PolarHBondContact O-OG1 3.41Å
265L98.3Very high97.9Very high0 Ų053.1 Ų53.10%029%0.292CS..Hα-helixtrans-61.2-42.6172.8-70.9171.7000111.1P216 L261 L267 T268 G269 D270 E271 R273 L274P216-L265 HydrophobicContact CB-CD2 3.94Å; P216-L265 HydrophobicContact CB-CG 4.37Å; P216-L265 HydrophobicContact CG-CD2 3.51Å; P216-L265 HydrophobicContact CG-CG 4.45Å; L261-L265 HydrophobicContact CD1-CD1 3.83Å; L261-L265 HydrophobicContact CD1-CG 4.18Å; L261-L265 HydrophobicContact CG-CD1 3.82Å; L261-L265 HydrophobicContact CG-CG 4.48Å; L261-L265 WeakPolarHBondContact O-CB 3.33Å; L261-L265 VanDerWaalsContact O-CG 3.27Å; L261-L265 WeakPolarHBondContact O-CG 3.22Å; L261-L265 PolarHBondContact O-N 3.39Å; L265-L267 VanDerWaalsContact C-N 3.31Å; L265-L267 PolarHBondContact O-N 3.02Å; L265-T268 WeakPolarHBondContact CA-OG1 3.38Å; L265-T268 PolarHBondContact O-N 3.41Å; L265-T268 PolarHBondContact O-OG1 3.08Å; L265-T268 VanDerWaalsContact O-OG1 3.09Å; L265-G269 PolarHBondContact O-N 2.71Å; L265-D270 HydrophobicContact CD2-CB 3.68Å; L265-D270 WeakPolarHBondContact CD2-O 3.41Å; L265-D270 PolarHBondContact O-N 2.8Å; L265-E271 HydrophobicContact CB-CG 4.49Å; L265-R273 HydrophobicContact CD2-CB 4.22Å; L265-L274 HydrophobicContact CD1-CD2 3.46Å; L265-L274 VanDerWaalsContact CD1-CD2 3.46Å; L265-L274 HydrophobicContact CD1-CG 3.75Å
266A98.4Very high97.8Very high54 Ų5455 Ų5545%0.44630%0.302SS..Hα-helixtrans-64.9-33.2175.100000113.4K262 H263 Q264 T268 E271K262-A266 WeakPolarHBondContact O-CB 3.3Å; K262-A266 PolarHBondContact O-N 3.32Å; K262-A266 VanDerWaalsContact O-N 3.17Å; H263-A266 PolarHBondContact O-N 3.1Å; Q264-A266 VanDerWaalsContact C-N 3.32Å; Q264-A266 PolarHBondContact O-N 3.43Å; A266-T268 VanDerWaalsContact C-N 3.29Å; A266-T268 PolarHBondContact O-N 3.28Å; A266-E271 WeakPolarHBondContact CA-OE1 3.28Å; A266-E271 HydrophobicContact CB-CG 4.25Å
267L97.8Very high97.8Very high101 Ų10161.2 Ų61.253%0.52933%0.331SS..Hα-helixtrans-70.1-26.3175.4-70.5-179.7000113.4W221 H263 Q264 L265W221-L267 HydrophobicContact CH2-CB 4.06Å; W221-L267 HydrophobicContact CH2-CD1 3.82Å; W221-L267 HydrophobicContact CZ3-CD1 3.68Å; H263-L267 WeakPolarHBondContact O-CG 3.18Å; H263-L267 PolarHBondContact O-N 2.93Å; Q264-L267 PolarHBondContact O-N 3.49Å; L265-L267 VanDerWaalsContact C-N 3.31Å; L265-L267 PolarHBondContact O-N 3.02Å
268T96.6Very high97.7Very high49 Ų4959.1 Ų59.130%0.30132%0.32SS..Hα-helixtrans-100.5-13-17646.90000113P216 W221 Q264 L265 A266 D270P216-T268 HydrophobicContact CB-CG2 4.04Å; P216-T268 WeakPolarHBondContact CB-OG1 3.13Å; P216-T268 HydrophobicContact CG-CG2 4.37Å; P216-T268 WeakPolarHBondContact CG-OG1 3.5Å; W221-T268 HydrophobicContact CH2-CG2 4.33Å; W221-T268 HydrophobicContact CZ2-CG2 4.12Å; Q264-T268 PolarHBondContact O-N 2.9Å; Q264-T268 VanDerWaalsContact O-N 3.1Å; Q264-T268 PolarHBondContact O-OG1 3.41Å; L265-T268 WeakPolarHBondContact CA-OG1 3.38Å; L265-T268 PolarHBondContact O-N 3.41Å; L265-T268 PolarHBondContact O-OG1 3.08Å; L265-T268 VanDerWaalsContact O-OG1 3.09Å; A266-T268 VanDerWaalsContact C-N 3.29Å; A266-T268 PolarHBondContact O-N 3.28Å; T268-D270 WeakPolarHBondContact CB-OD2 3.39Å; T268-D270 PolarHBondContact OG1-OD2 2.77Å
269G96.9Very high97.7Very high52 Ų5257.7 Ų57.754%0.53631%0.308SS..THydrogen-bonded Turntrans76.526.1-177.300000112.8L265 E271L265-G269 PolarHBondContact O-N 2.71Å; G269-E271 VanDerWaalsContact C-OE2 3.23Å; G269-E271 VanDerWaalsContact CA-OE2 3.29Å; G269-E271 WeakPolarHBondContact CA-OE2 3.32Å
270D96.7Very high97.7Very high36 Ų3654.9 Ų54.919%0.19329%0.291CS..  trans-107.723.1-174.9-76.9-64.4000111.5P216 L265 T268 D272 R273P216-D270 HydrophobicContact CG-CB 4.28Å; L265-D270 HydrophobicContact CD2-CB 3.68Å; L265-D270 WeakPolarHBondContact CD2-O 3.41Å; L265-D270 PolarHBondContact O-N 2.8Å; T268-D270 WeakPolarHBondContact CB-OD2 3.39Å; T268-D270 PolarHBondContact OG1-OD2 2.77Å; D270-D272 VanDerWaalsContact C-OD1 3.3Å; D270-D272 PolarHBondContact O-N 3.26Å; D270-D272 VanDerWaalsContact O-N 3.11Å; D270-R273 HydrophobicContact CB-CG 4.34Å; D270-R273 WeakPolarHBondContact O-CB 3.11Å; D270-R273 WeakPolarHBondContact O-CG 3.13Å; D270-R273 PolarHBondContact O-N 2.89Å; D270-R273 IonicContact OD1-CZ 3.32Å; D270-R273 IonicContact OD1-NE 3.19Å; D270-R273 PolarHBondContact OD1-NE 3.19Å; D270-R273 IonicContact OD1-NH2 3.52Å; D270-R273 PolarHBondContact OD1-NH2 3.03Å; D270-R273 IonicContact OD2-CZ 2.73Å; D270-R273 IonicContact OD2-NH2 2.89Å; D270-R273 PolarHBondContact OD2-NH2 3.3Å
271E97.6Very high97.7Very high90 Ų9054.7 Ų54.742%0.42129%0.291SS..G310 helixtrans-62.8-18.6-176.1-61.4102.6129.100114L265 A266 G269 R273 L274L265-E271 HydrophobicContact CB-CG 4.49Å; A266-E271 WeakPolarHBondContact CA-OE1 3.28Å; A266-E271 HydrophobicContact CB-CG 4.25Å; G269-E271 VanDerWaalsContact C-OE2 3.23Å; G269-E271 VanDerWaalsContact CA-OE2 3.29Å; G269-E271 WeakPolarHBondContact CA-OE2 3.32Å; E271-R273 PolarHBondContact O-N 3.49Å; E271-L274 HydrophobicContact CB-CD1 4.38Å; E271-L274 VanDerWaalsContact O-CB 3.25Å; E271-L274 WeakPolarHBondContact O-CB 3.13Å; E271-L274 WeakPolarHBondContact O-CG 3.49Å; E271-L274 PolarHBondContact O-N 3.27Å
272D96.9Very high97.7Very high116 Ų11655.1 Ų55.162%0.6229%0.293SS*.G310 helixtrans-59.5-28.7172.967.3-55000112.3D270 L274 E275D270-D272 VanDerWaalsContact C-OD1 3.3Å; D270-D272 PolarHBondContact O-N 3.26Å; D270-D272 VanDerWaalsContact O-N 3.11Å; D272-L274 PolarHBondContact O-N 2.93Å; D272-E275 PolarHBondContact O-N 3.27Å; D272-E275 VanDerWaalsContact O-N 3.13Å
273R96.8Very high97.6Very high15 Ų1552.6 Ų52.66%0.05728%0.284CS..G310 helixtrans-63.4-21.7175.9-60-175.3-167.5-177.39.9113.1D217 L265 D270 E271 E275 L276 H279D217-R273 IonicContact OD2-NH1 2.95Å; D217-R273 PolarHBondContact OD2-NH1 3.4Å; L265-R273 HydrophobicContact CD2-CB 4.22Å; D270-R273 HydrophobicContact CB-CG 4.34Å; D270-R273 WeakPolarHBondContact O-CB 3.11Å; D270-R273 WeakPolarHBondContact O-CG 3.13Å; D270-R273 PolarHBondContact O-N 2.89Å; D270-R273 IonicContact OD1-CZ 3.32Å; D270-R273 IonicContact OD1-NE 3.19Å; D270-R273 PolarHBondContact OD1-NE 3.19Å; D270-R273 IonicContact OD1-NH2 3.52Å; D270-R273 PolarHBondContact OD1-NH2 3.03Å; D270-R273 IonicContact OD2-CZ 2.73Å; D270-R273 IonicContact OD2-NH2 2.89Å; D270-R273 PolarHBondContact OD2-NH2 3.3Å; E271-R273 PolarHBondContact O-N 3.49Å; R273-E275 PolarHBondContact O-N 3.14Å; R273-E275 VanDerWaalsContact O-N 3.13Å; R273-L276 HydrophobicContact CB-CD1 4.08Å; R273-L276 HydrophobicContact CG-CD1 4.27Å; R273-L276 VanDerWaalsContact O-CB 3.31Å; R273-L276 WeakPolarHBondContact O-CB 3.38Å; R273-L276 WeakPolarHBondContact O-CG 3.5Å; R273-L276 PolarHBondContact O-N 3.29Å; R273-H279 VanDerWaalsContact O-CB 3.28Å; R273-H279 WeakPolarHBondContact O-CB 3.49Å; R273-H279 PolarHBondContact O-ND1 3.48Å
274L97.3Very high97.6Very high35 Ų3554.5 Ų54.518%0.18329%0.287CS..G310 helixtrans-59.1-23.6175.5-68.1173.3000111.8L261 K262 L265 E271 D272 L276 Q280 L283L261-L274 HydrophobicContact CD2-CD2 4.38Å; K262-L274 HydrophobicContact CG-CD2 4.35Å; L265-L274 HydrophobicContact CD1-CD2 3.46Å; L265-L274 VanDerWaalsContact CD1-CD2 3.46Å; L265-L274 HydrophobicContact CD1-CG 3.75Å; E271-L274 HydrophobicContact CB-CD1 4.38Å; E271-L274 VanDerWaalsContact O-CB 3.25Å; E271-L274 WeakPolarHBondContact O-CB 3.13Å; E271-L274 WeakPolarHBondContact O-CG 3.49Å; E271-L274 PolarHBondContact O-N 3.27Å; D272-L274 PolarHBondContact O-N 2.93Å; L274-L276 VanDerWaalsContact C-N 3.3Å; L274-L276 PolarHBondContact O-N 3.04Å; L274-Q280 VanDerWaalsContact O-CD 3.31Å; L274-Q280 VanDerWaalsContact O-CG 3.22Å; L274-Q280 WeakPolarHBondContact O-CG 3.43Å; L274-Q280 PolarHBondContact O-NE2 3.47Å; L274-L283 HydrophobicContact CD2-CD1 4Å
275E97.2Very high97.5Very high157 Ų15757.3 Ų57.373%0.73432%0.316SS*.G310 helixtrans-78.4-12.7177.2-61.1-58.7137.300113.5D272 R273D272-E275 PolarHBondContact O-N 3.27Å; D272-E275 VanDerWaalsContact O-N 3.13Å; R273-E275 PolarHBondContact O-N 3.14Å; R273-E275 VanDerWaalsContact O-N 3.13Å
276L97.1Very high97.5Very high48 Ų4862.2 Ų62.225%0.25134%0.339SS..SBendtrans-75.8147.6-178-57.4172.8000111.5G41 R273 L274 W278 H279 Q280G41-L276 WeakPolarHBondContact O-CD2 3.35Å; R273-L276 HydrophobicContact CB-CD1 4.08Å; R273-L276 HydrophobicContact CG-CD1 4.27Å; R273-L276 VanDerWaalsContact O-CB 3.31Å; R273-L276 WeakPolarHBondContact O-CB 3.38Å; R273-L276 WeakPolarHBondContact O-CG 3.5Å; R273-L276 PolarHBondContact O-N 3.29Å; L274-L276 VanDerWaalsContact C-N 3.3Å; L274-L276 PolarHBondContact O-N 3.04Å; L276-W278 PolarHBondContact O-N 2.88Å; L276-H279 PolarHBondContact O-N 3.09Å; L276-H279 VanDerWaalsContact O-N 3.08Å; L276-Q280 PolarHBondContact O-N 2.96Å
277E97Very high97.5Very high129 Ų12960.3 Ų60.360%0.60332%0.321SS*.Hα-helixtrans-54.7-47.2-173.9-175.4177.6177.200112.8H279 Q280 A281E277-H279 VanDerWaalsContact C-N 3.35Å; E277-H279 PolarHBondContact O-N 3.44Å; E277-Q280 PolarHBondContact O-N 3.06Å; E277-A281 WeakPolarHBondContact O-CB 3.46Å; E277-A281 PolarHBondContact O-N 3.09Å
278W98.2Very high97.5Very high2 Ų257 Ų571%0.00831%0.306CS..Hα-helixtrans-59.4-44178.6-172.495.1000112.6D42 T44 K75 D217 L276 A281 L282 M287D42-W278 WeakPolarHBondContact O-CB 3.44Å; D42-W278 PolarHBondContact O-N 2.99Å; T44-W278 HydrophobicContact CG2-CB 4.49Å; K75-W278 HydrophobicContact CB-CD2 4.1Å; K75-W278 HydrophobicContact CB-CG 4.47Å; K75-W278 HydrophobicContact CB-CH2 4.48Å; K75-W278 HydrophobicContact CB-CZ2 3.8Å; K75-W278 HydrophobicContact CD-CD2 3.97Å; K75-W278 HydrophobicContact CD-CE3 3.85Å; K75-W278 HydrophobicContact CD-CH2 4.18Å; K75-W278 HydrophobicContact CD-CZ2 4.28Å; K75-W278 HydrophobicContact CD-CZ3 3.96Å; K75-W278 HydrophobicContact CG-CD2 4.18Å; K75-W278 HydrophobicContact CG-CE3 4.33Å; K75-W278 HydrophobicContact CG-CH2 3.9Å; K75-W278 HydrophobicContact CG-CZ2 3.7Å; K75-W278 HydrophobicContact CG-CZ3 4.21Å; K75-W278 PolarHBondContact O-NE1 3.02Å; D217-W278 WeakPolarHBondContact O-CH2 3.45Å; D217-W278 WeakPolarHBondContact O-CZ3 3.28Å; L276-W278 PolarHBondContact O-N 2.88Å; W278-A281 PolarHBondContact O-N 2.92Å; W278-L282 HydrophobicContact CH2-CD2 3.7Å; W278-L282 HydrophobicContact CZ3-CB 4.43Å; W278-L282 HydrophobicContact CZ3-CD2 3.79Å; W278-L282 PolarHBondContact O-N 3.12Å; W278-L282 VanDerWaalsContact O-N 3.1Å; W278-M287 HydrophobicContact CD2-CE 3.93Å; W278-M287 HydrophobicContact CG-CE 4.11Å; W278-M287 HydrophobicContact CZ2-CE 4.18Å; W278-M287 HydrophobicContact CZ2-SD 3.89Å; W278-M287 WeakPolarHBondContact O-CE 3.24Å
279H98.3Very high97.7Very high0 Ų056.7 Ų56.70%030%0.301CS..Hα-helixtrans-68-43.8-177.6-65.276.4000110.4D217 R273 L276 E277 A281 L282 L283D217-H279 WeakPolarHBondContact CB-NE2 3.44Å; D217-H279 IonicContact OD2-NE2 3.79Å; R273-H279 VanDerWaalsContact O-CB 3.28Å; R273-H279 WeakPolarHBondContact O-CB 3.49Å; R273-H279 PolarHBondContact O-ND1 3.48Å; L276-H279 PolarHBondContact O-N 3.09Å; L276-H279 VanDerWaalsContact O-N 3.08Å; E277-H279 VanDerWaalsContact C-N 3.35Å; E277-H279 PolarHBondContact O-N 3.44Å; H279-A281 VanDerWaalsContact C-N 3.32Å; H279-A281 PolarHBondContact O-N 2.99Å; H279-L282 PolarHBondContact O-N 2.93Å; H279-L283 WeakPolarHBondContact O-CG 3.42Å; H279-L283 PolarHBondContact O-N 3.32Å
280Q98.3Very high97.7Very high61 Ų6154.2 Ų54.229%0.28528%0.275SS..Hα-helixtrans-61.3-39.6175.3-72.2-68.4-26.300112.3L274 L276 E277 L282 L283 R284L274-Q280 VanDerWaalsContact O-CD 3.31Å; L274-Q280 VanDerWaalsContact O-CG 3.22Å; L274-Q280 WeakPolarHBondContact O-CG 3.43Å; L274-Q280 PolarHBondContact O-NE2 3.47Å; L276-Q280 PolarHBondContact O-N 2.96Å; E277-Q280 PolarHBondContact O-N 3.06Å; Q280-L282 VanDerWaalsContact C-N 3.34Å; Q280-L282 PolarHBondContact O-N 3.37Å; Q280-L283 PolarHBondContact O-N 3.45Å; Q280-R284 VanDerWaalsContact CB-NH1 3.29Å; Q280-R284 WeakPolarHBondContact O-CG 3.33Å; Q280-R284 PolarHBondContact O-N 3.34Å
281A97.8Very high97.9Very high7 Ų752.5 Ų52.56%0.05827%0.266CS..Hα-helixtrans-61.3-41174.800000112.1E277 W278 H279 R284 G285 E286 M287E277-A281 WeakPolarHBondContact O-CB 3.46Å; E277-A281 PolarHBondContact O-N 3.09Å; W278-A281 PolarHBondContact O-N 2.92Å; H279-A281 VanDerWaalsContact C-N 3.32Å; H279-A281 PolarHBondContact O-N 2.99Å; A281-R284 PolarHBondContact O-N 2.95Å; A281-G285 PolarHBondContact O-N 3.37Å; A281-E286 HydrophobicContact CB-CB 4.27Å; A281-E286 VanDerWaalsContact CB-OE2 3.25Å; A281-E286 WeakPolarHBondContact CB-OE2 3.48Å; A281-E286 WeakPolarHBondContact O-CB 3.48Å; A281-E286 PolarHBondContact O-N 3.28Å; A281-M287 HydrophobicContact CB-CE 3.68Å
282L98.1Very high97.9Very high8 Ų848.2 Ų48.24%0.04225%0.246CC..Hα-helixtrans-64.6-42.8175.8179.255.5000111.4V256 L261 W278 H279 Q280 R284 G285 M287V256-L282 HydrophobicContact CG2-CD2 4.08Å; L261-L282 HydrophobicContact CD2-CD2 3.91Å; L261-L282 HydrophobicContact CD2-CG 4.37Å; W278-L282 HydrophobicContact CH2-CD2 3.7Å; W278-L282 HydrophobicContact CZ3-CB 4.43Å; W278-L282 HydrophobicContact CZ3-CD2 3.79Å; W278-L282 PolarHBondContact O-N 3.12Å; W278-L282 VanDerWaalsContact O-N 3.1Å; H279-L282 PolarHBondContact O-N 2.93Å; Q280-L282 VanDerWaalsContact C-N 3.34Å; Q280-L282 PolarHBondContact O-N 3.37Å; L282-R284 VanDerWaalsContact C-N 3.26Å; L282-R284 PolarHBondContact O-N 3.31Å; L282-G285 PolarHBondContact O-N 2.59Å; L282-G285 VanDerWaalsContact O-N 3.1Å; L282-M287 HydrophobicContact CB-CE 3.78Å; L282-M287 HydrophobicContact CD1-CB 4.33Å
283L98Very high98Very high47 Ų4742.8 Ų42.825%0.24622%0.218CC..Hα-helixtrans-64.6-29.3177.1-65.1-178.8000113.5A258 L261 K262 L274 H279 Q280 G285A258-L283 HydrophobicContact CB-CD2 3.91Å; L261-L283 HydrophobicContact CD2-CD2 4.02Å; L261-L283 HydrophobicContact CD2-CG 4.38Å; K262-L283 HydrophobicContact CD-CD2 4.45Å; K262-L283 VanDerWaalsContact CE-CD2 3.5Å; K262-L283 HydrophobicContact CG-CD2 4.2Å; L274-L283 HydrophobicContact CD2-CD1 4Å; H279-L283 WeakPolarHBondContact O-CG 3.42Å; H279-L283 PolarHBondContact O-N 3.32Å; Q280-L283 PolarHBondContact O-N 3.45Å; L283-G285 VanDerWaalsContact C-N 3.28Å
284R98.1Very high98.1Very high137 Ų13742.5 Ų42.552%0.51722%0.219SC..THydrogen-bonded Turntrans-82.9-2.7175.9-68.7-171.4-51.9-94.7-5.8113.5Q280 A281 L282 E286Q280-R284 VanDerWaalsContact CB-NH1 3.29Å; Q280-R284 WeakPolarHBondContact O-CG 3.33Å; Q280-R284 PolarHBondContact O-N 3.34Å; A281-R284 PolarHBondContact O-N 2.95Å; L282-R284 VanDerWaalsContact C-N 3.26Å; L282-R284 PolarHBondContact O-N 3.31Å; R284-E286 HydrophobicContact CB-CG 4.15Å; R284-E286 IonicContact CZ-OE1 3.49Å; R284-E286 VanDerWaalsContact CZ-OE1 3.26Å; R284-E286 IonicContact CZ-OE2 2.91Å; R284-E286 IonicContact NE-OE1 3.13Å; R284-E286 PolarHBondContact NE-OE1 2.83Å; R284-E286 IonicContact NE-OE2 2.62Å; R284-E286 VanDerWaalsContact NH2-CD 3.32Å; R284-E286 IonicContact NH2-OE1 2.7Å; R284-E286 PolarHBondContact NH2-OE1 3.3Å; R284-E286 IonicContact NH2-OE2 3Å; R284-E286 PolarHBondContact NH2-OE2 3.43Å
285G97.2Very high98.2Very high59 Ų5940.9 Ų40.961%0.60821%0.21SC*.THydrogen-bonded Turntrans75.123.9-179.800000113.9A281 L282 L283 M287A281-G285 PolarHBondContact O-N 3.37Å; L282-G285 PolarHBondContact O-N 2.59Å; L282-G285 VanDerWaalsContact O-N 3.1Å; L283-G285 VanDerWaalsContact C-N 3.28Å; G285-M287 PolarHBondContact O-N 3.37Å
286E97.9Very high98.2Very high103 Ų10333.9 Ų33.948%0.48118%0.181SC..  trans-80.3-3.6179.1-63.6171.7-171.300113A281 R284A281-E286 HydrophobicContact CB-CB 4.27Å; A281-E286 VanDerWaalsContact CB-OE2 3.25Å; A281-E286 WeakPolarHBondContact CB-OE2 3.48Å; A281-E286 WeakPolarHBondContact O-CB 3.48Å; A281-E286 PolarHBondContact O-N 3.28Å; R284-E286 HydrophobicContact CB-CG 4.15Å; R284-E286 IonicContact CZ-OE1 3.49Å; R284-E286 VanDerWaalsContact CZ-OE1 3.26Å; R284-E286 IonicContact CZ-OE2 2.91Å; R284-E286 IonicContact NE-OE1 3.13Å; R284-E286 PolarHBondContact NE-OE1 2.83Å; R284-E286 IonicContact NE-OE2 2.62Å; R284-E286 VanDerWaalsContact NH2-CD 3.32Å; R284-E286 IonicContact NH2-OE1 2.7Å; R284-E286 PolarHBondContact NH2-OE1 3.3Å; R284-E286 IonicContact NH2-OE2 3Å; R284-E286 PolarHBondContact NH2-OE2 3.43Å
287M98.3Very high98.3Very high14 Ų1432.1 Ų32.17%0.06917%0.171CC..SBendtrans-125.4138.9179.2-75-177.2-101.200110.4R78 Q79 W278 A281 L282 G285R78-M287 HydrophobicContact CB-SD 4.49Å; R78-M287 HydrophobicContact CG-CB 4.21Å; R78-M287 HydrophobicContact CG-SD 4.14Å; Q79-M287 HydrophobicContact CB-SD 4.01Å; W278-M287 HydrophobicContact CD2-CE 3.93Å; W278-M287 HydrophobicContact CG-CE 4.11Å; W278-M287 HydrophobicContact CZ2-CE 4.18Å; W278-M287 HydrophobicContact CZ2-SD 3.89Å; W278-M287 WeakPolarHBondContact O-CE 3.24Å; A281-M287 HydrophobicContact CB-CE 3.68Å; L282-M287 HydrophobicContact CB-CE 3.78Å; L282-M287 HydrophobicContact CD1-CB 4.33Å; G285-M287 PolarHBondContact O-N 3.37Å
288P98.5Very high98.4Very high32 Ų3226 Ų2621%0.20814%0.143CC..  trans-68.8165.2179.728-34.2000111.9R78 L81 G82 V122 T290R78-P288 VanDerWaalsContact CZ-O 3.27Å; R78-P288 PolarHBondContact NE-O 2.86Å; R78-P288 PolarHBondContact NH2-O 3.48Å; L81-P288 HydrophobicContact CB-CG 4.19Å; G82-P288 VanDerWaalsContact CA-CD 3.49Å; V122-P288 HydrophobicContact CG1-CB 3.99Å; V122-P288 HydrophobicContact CG2-CB 4.42Å; V122-P288 HydrophobicContact CG2-CG 4.06Å; P288-T290 HydrophobicContact CG-CG2 3.99Å
289Q98.8Very high98.4Very high43 Ų4327.7 Ų27.720%0.20115%0.149CC..  trans-70.1129.5161.8179.759.75900108.7M123 R255M123-Q289 HydrophobicContact CB-CB 4.46Å; M123-Q289 HydrophobicContact CB-CG 4.08Å; M123-Q289 HydrophobicContact CG-CG 4.44Å; M123-Q289 PolarHBondContact N-O 2.81Å; M123-Q289 HydrophobicContact SD-CG 3.83Å; R255-Q289 PolarHBondContact O-NE2 3.34Å
290T98.9Very high98.5Very high0 Ų027.7 Ų27.70%015%0.149CC..EExtended strand (participates in β ladder)trans-131.1162.1-178.661.30000111.9R78 L81 E120 R121 V122 M123 R255 P288R78-T290 WeakPolarHBondContact CD-OG1 3.5Å; R78-T290 HydrophobicContact CG-CG2 3.95Å; L81-T290 HydrophobicContact CD1-CG2 3.8Å; E120-T290 HydrophobicContact CG-CG2 4.19Å; E120-T290 WeakPolarHBondContact OE1-CB 3.45Å; E120-T290 PolarHBondContact OE1-OG1 3.48Å; R121-T290 CarbonylContact O-C 3.58Å; R121-T290 WeakPolarHBondContact O-CA 3.16Å; R121-T290 VanDerWaalsContact O-CB 3.25Å; R121-T290 WeakPolarHBondContact O-CB 3.39Å; V122-T290 HydrophobicContact CG2-CG2 4.5Å; M123-T290 VanDerWaalsContact SD-O 3.33Å; R255-T290 WeakPolarHBondContact CB-O 3.32Å; R255-T290 WeakPolarHBondContact CG-O 3.48Å; R255-T290 WeakPolarHBondContact CG-OG1 3.25Å; R255-T290 PolarHBondContact N-O 3.38Å; P288-T290 HydrophobicContact CG-CG2 3.99Å
291I98.9Very high98.5Very high0 Ų024.8 Ų24.80%014%0.136CC..EExtended strand (participates in β ladder)trans-119.5139.4161.7-177.6170.7000107W119 R121 M123 L133 T136 I254W119-I291 HydrophobicContact CH2-CG1 4.13Å; W119-I291 HydrophobicContact CZ3-CG2 4.37Å; W119-I291 WeakPolarHBondContact CZ3-O 3.22Å; R121-I291 HydrophobicContact CB-CG2 4.07Å; R121-I291 PolarHBondContact N-O 2.67Å; R121-I291 PolarHBondContact O-N 3.3Å; M123-I291 HydrophobicContact CG-CB 4.21Å; M123-I291 HydrophobicContact CG-CG2 4Å; M123-I291 HydrophobicContact SD-CB 3.89Å; M123-I291 HydrophobicContact SD-CG2 4.33Å; L133-I291 HydrophobicContact CD1-CD1 4.01Å; T136-I291 HydrophobicContact CG2-CD1 3.85Å; I254-I291 HydrophobicContact CG1-CB 4.4Å; I254-I291 HydrophobicContact CG1-CD1 4.07Å; I254-I291 HydrophobicContact CG1-CG1 4.26Å
292G98.8Very high98.5Very high0 Ų024.5 Ų24.50%013%0.133CC..EExtended strand (participates in β ladder)trans-161.5179178.700000113.3W119 M252 G253 R255W119-G292 VanDerWaalsContact O-CA 3.26Å; W119-G292 WeakPolarHBondContact O-CA 3.48Å; M252-G292 CarbonylContact C-O 3.57Å; M252-G292 WeakPolarHBondContact CA-O 3.17Å; M252-G292 VanDerWaalsContact CB-O 3.24Å; M252-G292 WeakPolarHBondContact CB-O 3.3Å; G253-G292 PolarHBondContact N-O 2.63Å; G253-G292 PolarHBondContact O-N 2.97Å; R255-G292 VanDerWaalsContact CZ-O 3.24Å; R255-G292 PolarHBondContact NH1-O 2.82Å; R255-G292 PolarHBondContact NH2-O 3.12Å
293G98.7Very high98.6Very high2 Ų224.1 Ų24.12%0.02113%0.131CC..EExtended strand (participates in β ladder)trans-176.3-177.2177.700000112.7K77 W119 S251 R255K77-G293 PolarHBondContact NZ-O 3.41Å; W119-G293 PolarHBondContact N-O 3.15Å; W119-G293 PolarHBondContact NE1-O 3.31Å; W119-G293 PolarHBondContact O-N 3.46Å; S251-G293 CarbonylContact O-C 3.52Å; S251-G293 WeakPolarHBondContact O-CA 3.44Å; R255-G293 VanDerWaalsContact NH2-N 3.14Å
294G98.5Very high98.6Very high8 Ų822 Ų228%0.08212%0.12CC..EExtended strand (participates in β ladder)trans-126.6133.217200000109.7W117 S250 S251W117-G294 WeakPolarHBondContact O-CA 3.34Å; S250-G294 WeakPolarHBondContact CA-O 3.31Å; S250-G294 WeakPolarHBondContact CB-O 3.3Å; S250-G294 PolarHBondContact OG-O 3.17Å; S251-G294 PolarHBondContact N-O 3.3Å; S251-G294 PolarHBondContact O-N 3.07Å
295I98.9Very high98.7Very high1 Ų116 Ų161%0.00510%0.098CC..EExtended strand (participates in β ladder)trans-113.6121.1174-56.9161.5000107.4F19 L23 Q116 W117 I140 S250 Q297 L300F19-I295 HydrophobicContact CE1-CB 4.45Å; F19-I295 HydrophobicContact CE1-CD1 3.7Å; F19-I295 HydrophobicContact CE1-CG2 4.03Å; F19-I295 HydrophobicContact CZ-CD1 3.78Å; L23-I295 HydrophobicContact CD2-CD1 4.02Å; Q116-I295 CarbonylContact C-O 3.56Å; Q116-I295 WeakPolarHBondContact CA-O 3.31Å; W117-I295 HydrophobicContact CB-CB 4.47Å; W117-I295 HydrophobicContact CE3-CB 4.03Å; W117-I295 HydrophobicContact CE3-CG2 3.89Å; W117-I295 HydrophobicContact CZ3-CG2 4.2Å; W117-I295 PolarHBondContact N-O 3.1Å; W117-I295 PolarHBondContact O-N 2.85Å; I140-I295 HydrophobicContact CG2-CD1 3.78Å; S250-I295 WeakPolarHBondContact OG-CG1 3.46Å; I295-Q297 PolarHBondContact O-N 3.02Å; I295-L300 HydrophobicContact CG2-CD2 4.5Å
296G98.7Very high98.7Very high11 Ų1116.2 Ų16.211%0.1138%0.083CC..EExtended strand (participates in β ladder)trans-65116.5-176.200000111.6D115 L249 R299 L300D115-G296 CarbonylContact O-C 3.5Å; D115-G296 WeakPolarHBondContact O-CA 3.41Å; L249-G296 PolarHBondContact O-N 3Å; G296-R299 PolarHBondContact O-N 3.24Å; G296-L300 WeakPolarHBondContact O-CB 3.5Å; G296-L300 PolarHBondContact O-N 2.87Å
297Q98.9Very high98.8Very high10 Ų1013 Ų135%0.0477%0.069CC..Hα-helixtrans-67.2-49.7-176.2-56.517835.700111.5K16 H95 D115 Q116 W117 I295 R299 L300 T301K16-Q297 VanDerWaalsContact NZ-CB 3.27Å; H95-Q297 PolarHBondContact ND1-NE2 3.42Å; D115-Q297 HydrophobicContact CB-CB 4.32Å; D115-Q297 HydrophobicContact CB-CG 4.43Å; D115-Q297 PolarHBondContact O-N 3.24Å; Q116-Q297 VanDerWaalsContact C-CG 3.49Å; Q116-Q297 VanDerWaalsContact C-NE2 3.32Å; Q116-Q297 PolarHBondContact O-NE2 3.19Å; W117-Q297 HydrophobicContact CD2-CG 3.67Å; W117-Q297 HydrophobicContact CE3-CB 4.17Å; W117-Q297 HydrophobicContact CE3-CG 3.65Å; W117-Q297 HydrophobicContact CG-CG 4.28Å; W117-Q297 HydrophobicContact CH2-CB 4.06Å; W117-Q297 HydrophobicContact CH2-CG 4.16Å; W117-Q297 HydrophobicContact CZ2-CB 4.44Å; W117-Q297 HydrophobicContact CZ2-CG 4.18Å; W117-Q297 HydrophobicContact CZ3-CB 3.94Å; W117-Q297 HydrophobicContact CZ3-CG 3.93Å; I295-Q297 PolarHBondContact O-N 3.02Å; Q297-R299 VanDerWaalsContact C-N 3.3Å; Q297-R299 PolarHBondContact O-N 2.89Å; Q297-L300 PolarHBondContact O-N 3.02Å; Q297-T301 VanDerWaalsContact O-CB 3.3Å; Q297-T301 WeakPolarHBondContact O-CB 3.22Å; Q297-T301 PolarHBondContact O-N 2.68Å; Q297-T301 PolarHBondContact O-OG1 3.29Å
298S98.8Very high98.8Very high1 Ų115.2 Ų15.21%0.0078%0.084CC..Hα-helixtrans-65.5-35.7176.8-62.70000111.5D115 T301 M302 V313 Q314D115-S298 WeakPolarHBondContact OD1-CB 3.45Å; D115-S298 PolarHBondContact OD1-N 3.25Å; D115-S298 PolarHBondContact OD1-OG 3.01Å; D115-S298 PolarHBondContact OD2-OG 2.86Å; S298-T301 PolarHBondContact O-N 3.5Å; S298-M302 WeakPolarHBondContact O-CG 3.43Å; S298-M302 PolarHBondContact O-N 2.7Å; S298-V313 WeakPolarHBondContact O-CG2 3.43Å; S298-Q314 PolarHBondContact OG-NE2 3.34Å
299R98.8Very high98.8Very high38 Ų3814 Ų1414%0.1438%0.076CC..Hα-helixtrans-63.3-50.7175.6-78.2-162.5176.4173.1-1.5111.8L109 H110 F247 E248 G296 Q297 T301 M302 L303 I310L109-R299 PolarHBondContact O-NE 2.76Å; L109-R299 PolarHBondContact O-NH2 3.12Å; H110-R299 PolarHBondContact NE2-NH2 2.77Å; F247-R299 HydrophobicContact CE1-CB 3.76Å; F247-R299 HydrophobicContact CE1-CG 4.33Å; F247-R299 WeakPolarHBondContact CE1-O 3.4Å; F247-R299 HydrophobicContact CZ-CB 3.83Å; F247-R299 HydrophobicContact CZ-CG 4.13Å; F247-R299 VanDerWaalsContact CZ-O 3.22Å; F247-R299 WeakPolarHBondContact CZ-O 3.36Å; E248-R299 VanDerWaalsContact CD-NH1 3.31Å; E248-R299 WeakPolarHBondContact O-CD 3.14Å; E248-R299 PolarHBondContact O-NH1 3.05Å; E248-R299 IonicContact OE1-NH1 3.23Å; E248-R299 IonicContact OE2-CZ 2.63Å; E248-R299 IonicContact OE2-NH1 3.12Å; E248-R299 PolarHBondContact OE2-NH1 3.45Å; G296-R299 PolarHBondContact O-N 3.24Å; Q297-R299 VanDerWaalsContact C-N 3.3Å; Q297-R299 PolarHBondContact O-N 2.89Å; R299-T301 VanDerWaalsContact C-N 3.31Å; R299-T301 PolarHBondContact O-N 3.01Å; R299-M302 WeakPolarHBondContact O-CG 3.49Å; R299-M302 PolarHBondContact O-N 3.1Å; R299-L303 WeakPolarHBondContact O-CB 3.43Å; R299-L303 PolarHBondContact O-N 3.03Å; R299-L303 VanDerWaalsContact O-N 3.08Å; R299-I310 HydrophobicContact CG-CD1 3.97Å
300L98.9Very high98.8Very high0 Ų012.3 Ų12.30%07%0.068CC..Hα-helixtrans-63.3-39.5176.1-174.563.3000111.6F19 W117 I144 L249 I295 G296 Q297 L303 L304F19-L300 HydrophobicContact CB-CD2 4.17Å; F19-L300 HydrophobicContact CD1-CD2 3.52Å; F19-L300 HydrophobicContact CD2-CD2 3.92Å; F19-L300 HydrophobicContact CE1-CD2 3.79Å; F19-L300 HydrophobicContact CE2-CD2 4.19Å; F19-L300 HydrophobicContact CG-CD2 3.57Å; F19-L300 HydrophobicContact CZ-CD2 4.12Å; W117-L300 HydrophobicContact CH2-CB 4.37Å; W117-L300 HydrophobicContact CH2-CD2 3.81Å; W117-L300 HydrophobicContact CZ3-CB 3.88Å; W117-L300 HydrophobicContact CZ3-CD2 3.55Å; W117-L300 HydrophobicContact CZ3-CG 4.32Å; I144-L300 HydrophobicContact CG1-CD1 4.19Å; I144-L300 HydrophobicContact CG2-CD1 4.12Å; L249-L300 HydrophobicContact CD1-CD1 4.44Å; L249-L300 HydrophobicContact CD2-CB 4.15Å; L249-L300 HydrophobicContact CD2-CD1 3.94Å; I295-L300 HydrophobicContact CG2-CD2 4.5Å; G296-L300 WeakPolarHBondContact O-CB 3.5Å; G296-L300 PolarHBondContact O-N 2.87Å; Q297-L300 PolarHBondContact O-N 3.02Å; L300-L303 HydrophobicContact CD1-CD2 4.47Å; L300-L303 PolarHBondContact O-N 3.29Å; L300-L304 HydrophobicContact CD1-CD1 3.95Å; L300-L304 HydrophobicContact CD1-CG 4Å; L300-L304 HydrophobicContact CG-CD1 4.01Å; L300-L304 HydrophobicContact CG-CG 4.32Å; L300-L304 WeakPolarHBondContact O-CG 3.42Å; L300-L304 PolarHBondContact O-N 3Å
301T98.9Very high98.8Very high0 Ų012.3 Ų12.30%07%0.068CC..Hα-helixtrans-63.6-47.9179.1-53.80000111.7I12 V15 Q297 S298 R299 L303 L305 V313I12-T301 HydrophobicContact CB-CG2 4.26Å; I12-T301 HydrophobicContact CG1-CG2 3.97Å; I12-T301 HydrophobicContact CG2-CG2 4.24Å; V15-T301 HydrophobicContact CB-CG2 4.32Å; Q297-T301 VanDerWaalsContact O-CB 3.3Å; Q297-T301 WeakPolarHBondContact O-CB 3.22Å; Q297-T301 PolarHBondContact O-N 2.68Å; Q297-T301 PolarHBondContact O-OG1 3.29Å; S298-T301 PolarHBondContact O-N 3.5Å; R299-T301 VanDerWaalsContact C-N 3.31Å; R299-T301 PolarHBondContact O-N 3.01Å; T301-L303 VanDerWaalsContact C-N 3.29Å; T301-L303 PolarHBondContact O-N 3.3Å; T301-L305 HydrophobicContact CG2-CD1 3.7Å; T301-L305 HydrophobicContact CG2-CG 4.25Å; T301-L305 VanDerWaalsContact O-CB 3.27Å; T301-L305 WeakPolarHBondContact O-CB 3.18Å; T301-L305 VanDerWaalsContact O-CG 3.28Å; T301-L305 WeakPolarHBondContact O-CG 3.34Å; T301-L305 PolarHBondContact O-N 3.47Å; T301-V313 HydrophobicContact CG2-CB 4.02Å; T301-V313 HydrophobicContact CG2-CG1 3.84Å
302M98.8Very high98.8Very high0 Ų013 Ų130%07%0.072CC..Hα-helixtrans-65.3-35.4178.770.3176.3-68.500112P108 L109 L243 F247 S298 R299 Q306 L307 I310 V313P108-M302 WeakPolarHBondContact O-CE 3.38Å; L109-M302 HydrophobicContact CD2-CE 4.46Å; L243-M302 HydrophobicContact CD1-CE 4.14Å; F247-M302 HydrophobicContact CE2-CE 4.03Å; F247-M302 HydrophobicContact CE2-CG 4.08Å; F247-M302 HydrophobicContact CE2-SD 3.79Å; F247-M302 HydrophobicContact CZ-CG 3.73Å; F247-M302 HydrophobicContact CZ-SD 3.79Å; S298-M302 WeakPolarHBondContact O-CG 3.43Å; S298-M302 PolarHBondContact O-N 2.7Å; R299-M302 WeakPolarHBondContact O-CG 3.49Å; R299-M302 PolarHBondContact O-N 3.1Å; M302-Q306 PolarHBondContact O-N 3.35Å; M302-Q306 VanDerWaalsContact O-N 3.1Å; M302-L307 HydrophobicContact CB-CB 4.28Å; M302-L307 WeakPolarHBondContact CE-O 3.45Å; M302-L307 PolarHBondContact O-N 2.9Å; M302-I310 VanDerWaalsContact SD-CA 3.56Å; M302-I310 HydrophobicContact SD-CB 3.56Å; M302-I310 VanDerWaalsContact SD-CB 3.56Å; M302-I310 HydrophobicContact SD-CG1 3.99Å; M302-V313 HydrophobicContact CB-CG1 4.33Å; M302-V313 HydrophobicContact CB-CG2 4.01Å
303L98.9Very high98.8Very high0 Ų013.4 Ų13.40%07%0.074CC..Hα-helixtrans-62.9-54.9177.3178.372.8000110.8F160 L161 V238 N240 F247 L249 R299 L300 T301 L305 Q306F160-L303 HydrophobicContact CE2-CD1 3.94Å; F160-L303 HydrophobicContact CZ-CD1 3.61Å; F160-L303 HydrophobicContact CZ-CG 3.9Å; L161-L303 HydrophobicContact CD1-CD2 4.4Å; L161-L303 HydrophobicContact CD2-CD2 4.24Å; V238-L303 HydrophobicContact CG2-CD1 3.99Å; V238-L303 HydrophobicContact CG2-CD2 3.76Å; N240-L303 HydrophobicContact CB-CD1 4.04Å; F247-L303 HydrophobicContact CD1-CD1 4.37Å; F247-L303 HydrophobicContact CD1-CD2 4.47Å; F247-L303 HydrophobicContact CE1-CB 4.09Å; F247-L303 HydrophobicContact CG-CD1 4.44Å; F247-L303 HydrophobicContact CZ-CB 4.26Å; L249-L303 HydrophobicContact CD1-CD2 3.7Å; L249-L303 HydrophobicContact CD2-CD2 3.75Å; L249-L303 HydrophobicContact CG-CD2 4.12Å; R299-L303 WeakPolarHBondContact O-CB 3.43Å; R299-L303 PolarHBondContact O-N 3.03Å; R299-L303 VanDerWaalsContact O-N 3.08Å; L300-L303 HydrophobicContact CD1-CD2 4.47Å; L300-L303 PolarHBondContact O-N 3.29Å; T301-L303 VanDerWaalsContact C-N 3.29Å; T301-L303 PolarHBondContact O-N 3.3Å; L303-L305 VanDerWaalsContact C-N 3.32Å; L303-L305 PolarHBondContact O-N 2.93Å; L303-Q306 PolarHBondContact O-N 2.8Å; L303-Q306 VanDerWaalsContact O-N 3.12Å
304L98.9Very high98.7Very high4 Ų413.6 Ų13.62%0.0217%0.074CC..Hα-helixtrans-71.2-27.2-176.1-64.2-174.9000112.9V15 T147 E148 L161 L300 Q306V15-L304 HydrophobicContact CG1-CD1 4.02Å; T147-L304 HydrophobicContact CG2-CD1 3.67Å; E148-L304 HydrophobicContact CB-CD2 3.84Å; E148-L304 HydrophobicContact CG-CD2 4.15Å; L161-L304 HydrophobicContact CD1-CD2 3.92Å; L300-L304 HydrophobicContact CD1-CD1 3.95Å; L300-L304 HydrophobicContact CD1-CG 4Å; L300-L304 HydrophobicContact CG-CD1 4.01Å; L300-L304 HydrophobicContact CG-CG 4.32Å; L300-L304 WeakPolarHBondContact O-CG 3.42Å; L300-L304 PolarHBondContact O-N 3Å; L304-Q306 VanDerWaalsContact C-N 3.3Å
305L98.9Very high98.7Very high9 Ų917.2 Ų17.25%0.04710%0.098CC..THydrogen-bonded Turntrans-87.43.1173.4-61.1-175.6000113.7Q11 I12 V15 V151 L157 T301 L303 L307 V313Q11-L305 HydrophobicContact CB-CD1 3.78Å; Q11-L305 HydrophobicContact CB-CD2 3.87Å; Q11-L305 HydrophobicContact CG-CD2 4.43Å; I12-L305 HydrophobicContact CG1-CD1 4.11Å; V15-L305 HydrophobicContact CG2-CD2 3.81Å; V15-L305 HydrophobicContact CG2-CG 4.06Å; V151-L305 HydrophobicContact CG1-CD2 4.12Å; L157-L305 HydrophobicContact CD1-CD2 4.06Å; T301-L305 HydrophobicContact CG2-CD1 3.7Å; T301-L305 HydrophobicContact CG2-CG 4.25Å; T301-L305 VanDerWaalsContact O-CB 3.27Å; T301-L305 WeakPolarHBondContact O-CB 3.18Å; T301-L305 VanDerWaalsContact O-CG 3.28Å; T301-L305 WeakPolarHBondContact O-CG 3.34Å; T301-L305 PolarHBondContact O-N 3.47Å; L303-L305 VanDerWaalsContact C-N 3.32Å; L303-L305 PolarHBondContact O-N 2.93Å; L305-L307 VanDerWaalsContact C-N 3.25Å; L305-L307 HydrophobicContact CB-CD1 3.89Å; L305-L307 HydrophobicContact CB-CG 3.94Å; L305-L307 HydrophobicContact CD1-CD1 4.28Å; L305-L307 PolarHBondContact O-N 3.2Å; L305-V313 HydrophobicContact CD1-CG1 4.48Å
306Q98.7Very high98.6Very high65 Ų6518 Ų1830%0.30411%0.106SC..THydrogen-bonded Turntrans55.140.2178.5-56.9175.19.800112.7A158 F160 V242 M302 L303 L304A158-Q306 PolarHBondContact O-NE2 2.97Å; F160-Q306 HydrophobicContact CE1-CG 4.17Å; V242-Q306 HydrophobicContact CG2-CB 3.95Å; M302-Q306 PolarHBondContact O-N 3.35Å; M302-Q306 VanDerWaalsContact O-N 3.1Å; L303-Q306 PolarHBondContact O-N 2.8Å; L303-Q306 VanDerWaalsContact O-N 3.12Å; L304-Q306 VanDerWaalsContact C-N 3.3Å
307L98.6Very high98.6Very high34 Ų3421.6 Ų21.618%0.17813%0.126CC..  trans-96.3132.7-177.2-67.8174000111.1M302 L305 H309 Q312 V313M302-L307 HydrophobicContact CB-CB 4.28Å; M302-L307 WeakPolarHBondContact CE-O 3.45Å; M302-L307 PolarHBondContact O-N 2.9Å; L305-L307 VanDerWaalsContact C-N 3.25Å; L305-L307 HydrophobicContact CB-CD1 3.89Å; L305-L307 HydrophobicContact CB-CG 3.94Å; L305-L307 HydrophobicContact CD1-CD1 4.28Å; L305-L307 PolarHBondContact O-N 3.2Å; L307-H309 PolarHBondContact O-N 2.95Å; L307-Q312 HydrophobicContact CD1-CB 4.33Å; L307-V313 HydrophobicContact CD1-CG1 3.29Å
308P98.5Very high98.5Very high61 Ų6122 Ų2240%0.39613%0.127SC..SBendtrans-75.7-3.4-174.230.7-39.4000114.6P108 V242 L243P108-P308 WeakPolarHBondContact CB-O 3.37Å; V242-P308 HydrophobicContact CG1-CB 3.93Å; L243-P308 VanDerWaalsContact CD2-O 3.31Å; L243-P308 WeakPolarHBondContact CD2-O 3.08Å
309H98.7Very high98.5Very high6 Ų625.1 Ų25.13%0.02815%0.147CC..  trans-152.2131.1-177.7-162.5-78.4000112.6L307 G311 Q312 W318 V326 L329L307-H309 PolarHBondContact O-N 2.95Å; H309-G311 PolarHBondContact ND1-N 3Å; H309-G311 PolarHBondContact O-N 2.86Å; H309-Q312 HydrophobicContact CB-CG 4.24Å; H309-Q312 VanDerWaalsContact O-CB 3.32Å; H309-Q312 WeakPolarHBondContact O-CB 3.36Å; H309-Q312 PolarHBondContact O-N 2.95Å; H309-W318 AromaticContact CE1-CD2 3.82Å; H309-W318 AromaticContact CE1-CE2 3.78Å; H309-W318 AromaticContact CE1-CE3 3.63Å; H309-W318 AromaticContact CE1-CH2 3.49Å; H309-W318 VanDerWaalsContact CE1-CH2 3.49Å; H309-W318 WeakPolarHBondContact CE1-CH2 3.01Å; H309-W318 AromaticContact CE1-CZ2 3.65Å; H309-W318 AromaticContact CE1-CZ3 3.46Å; H309-W318 VanDerWaalsContact CE1-CZ3 3.46Å; H309-W318 WeakPolarHBondContact CE1-CZ3 3.25Å; H309-V326 HydrophobicContact CB-CG1 3.77Å; H309-L329 WeakPolarHBondContact ND1-CD2 3.39Å
310I98.8Very high98.4Very high8 Ų826.3 Ų26.34%0.04117%0.165CC..G310 helixtrans-56.9-36.6-178.9-164.3169.5000112.8P108 R299 M302 Q312 V313 Q314 W318P108-I310 VanDerWaalsContact O-CB 3.25Å; P108-I310 WeakPolarHBondContact O-CB 3.46Å; P108-I310 WeakPolarHBondContact O-CG2 3.48Å; P108-I310 PolarHBondContact O-N 3.23Å; R299-I310 HydrophobicContact CG-CD1 3.97Å; M302-I310 VanDerWaalsContact SD-CA 3.56Å; M302-I310 HydrophobicContact SD-CB 3.56Å; M302-I310 VanDerWaalsContact SD-CB 3.56Å; M302-I310 HydrophobicContact SD-CG1 3.99Å; I310-Q312 PolarHBondContact O-N 3Å; I310-V313 HydrophobicContact CG1-CG2 4.49Å; I310-V313 WeakPolarHBondContact O-CG2 3.15Å; I310-V313 PolarHBondContact O-N 3.43Å; I310-Q314 WeakPolarHBondContact O-CB 3.47Å; I310-Q314 PolarHBondContact O-N 2.98Å; I310-Q314 VanDerWaalsContact O-N 3.12Å; I310-W318 HydrophobicContact CG2-CH2 3.44Å; I310-W318 VanDerWaalsContact CG2-CH2 3.44Å; I310-W318 HydrophobicContact CG2-CZ2 3.87Å
311G98.6Very high98.4Very high0 Ų029.5 Ų29.50%019%0.191CC..G310 helixtrans-63.3-6.5174.700000115.6H309 Q314 W318 L329 L330H309-G311 PolarHBondContact ND1-N 3Å; H309-G311 PolarHBondContact O-N 2.86Å; G311-Q314 CarbonylContact C-O 3.42Å; G311-Q314 WeakPolarHBondContact CA-O 3.25Å; G311-W318 VanDerWaalsContact CA-CZ2 3.5Å; G311-L329 WeakPolarHBondContact O-CA 3.29Å; G311-L330 PolarHBondContact O-N 3.49Å
312Q98.7Very high98.3Very high16 Ų1630.9 Ų30.98%0.07520%0.199CC..G310 helixtrans-83.8-18.2171-66176.7-3200112.7K8 L307 H309 I310 P327 L329K8-Q312 WeakPolarHBondContact CD-O 3.34Å; K8-Q312 WeakPolarHBondContact CE-O 3.44Å; K8-Q312 PolarHBondContact NZ-O 2.78Å; L307-Q312 HydrophobicContact CD1-CB 4.33Å; H309-Q312 HydrophobicContact CB-CG 4.24Å; H309-Q312 VanDerWaalsContact O-CB 3.32Å; H309-Q312 WeakPolarHBondContact O-CB 3.36Å; H309-Q312 PolarHBondContact O-N 2.95Å; I310-Q312 PolarHBondContact O-N 3Å; Q312-P327 PolarHBondContact NE2-O 3.48Å; Q312-L329 HydrophobicContact CG-CD2 4.33Å
313V98.7Very high98.2Very high8 Ų838.2 Ų38.25%0.04823%0.227CC..THydrogen-bonded Turntrans-110.5-5175-590000113.2I12 S298 T301 M302 L305 L307 I310I12-V313 HydrophobicContact CD1-CB 4.1Å; I12-V313 HydrophobicContact CD1-CG1 4.28Å; I12-V313 HydrophobicContact CG1-CB 4.12Å; I12-V313 HydrophobicContact CG1-CG1 4.08Å; S298-V313 WeakPolarHBondContact O-CG2 3.43Å; T301-V313 HydrophobicContact CG2-CB 4.02Å; T301-V313 HydrophobicContact CG2-CG1 3.84Å; M302-V313 HydrophobicContact CB-CG1 4.33Å; M302-V313 HydrophobicContact CB-CG2 4.01Å; L305-V313 HydrophobicContact CD1-CG1 4.48Å; L307-V313 HydrophobicContact CD1-CG1 3.29Å; I310-V313 HydrophobicContact CG1-CG2 4.49Å; I310-V313 WeakPolarHBondContact O-CG2 3.15Å; I310-V313 PolarHBondContact O-N 3.43Å
314Q97.8Very high98.1Very high5 Ų546.1 Ų46.12%0.02326%0.264CS..SBendtrans-137.9135.8-173.7-169.3-166.97000111.2S111 Y113 S298 I310 G311 G316S111-Q314 PolarHBondContact OG-OE1 3.17Å; Y113-Q314 HydrophobicContact CD1-CG 3.35Å; Y113-Q314 VanDerWaalsContact CD1-NE2 3.28Å; Y113-Q314 HydrophobicContact CE1-CG 3.67Å; Y113-Q314 HydrophobicContact CG-CG 4.46Å; Y113-Q314 PolarHBondContact O-NE2 2.86Å; Y113-Q314 PolarHBondContact O-OE1 3.16Å; S298-Q314 PolarHBondContact OG-NE2 3.34Å; I310-Q314 WeakPolarHBondContact O-CB 3.47Å; I310-Q314 PolarHBondContact O-N 2.98Å; I310-Q314 VanDerWaalsContact O-N 3.12Å; G311-Q314 CarbonylContact C-O 3.42Å; G311-Q314 WeakPolarHBondContact CA-O 3.25Å; Q314-G316 PolarHBondContact O-N 3.23Å
315C97.9Very high98.1Very high85 Ų8550 Ų5057%0.57429%0.291SS*.  trans-79.6102.5169.8-56.20000109.6
316G97.5Very high98Very high18 Ų1850.9 Ų50.919%0.18630%0.297CS..  trans-126.6-178.5-179.400000112.9Q314Q314-G316 PolarHBondContact O-N 3.23Å
317V97.7Very high97.9Very high86 Ų8652.1 Ų52.152%0.52131%0.311SS..  trans-105.5139.6172.3-64.30000109.7L106 V112L106-V317 WeakPolarHBondContact CD1-O 3.5Å; V112-V317 HydrophobicContact CB-CG2 4.44Å; V112-V317 HydrophobicContact CG2-CG2 4.13Å
318W98.2Very high97.8Very high18 Ų1854.6 Ų54.67%0.06833%0.331CS..  trans-141.3145-171.5-57.2105.6000110.5L106 H110 H309 I310 G311 V322 R323 L329L106-W318 HydrophobicContact CB-CE3 4.13Å; L106-W318 HydrophobicContact CB-CZ3 3.97Å; H110-W318 WeakPolarHBondContact O-CH2 3.26Å; H110-W318 WeakPolarHBondContact O-CZ3 3.36Å; H309-W318 AromaticContact CE1-CD2 3.82Å; H309-W318 AromaticContact CE1-CE2 3.78Å; H309-W318 AromaticContact CE1-CE3 3.63Å; H309-W318 AromaticContact CE1-CH2 3.49Å; H309-W318 VanDerWaalsContact CE1-CH2 3.49Å; H309-W318 WeakPolarHBondContact CE1-CH2 3.01Å; H309-W318 AromaticContact CE1-CZ2 3.65Å; H309-W318 AromaticContact CE1-CZ3 3.46Å; H309-W318 VanDerWaalsContact CE1-CZ3 3.46Å; H309-W318 WeakPolarHBondContact CE1-CZ3 3.25Å; I310-W318 HydrophobicContact CG2-CH2 3.44Å; I310-W318 VanDerWaalsContact CG2-CH2 3.44Å; I310-W318 HydrophobicContact CG2-CZ2 3.87Å; G311-W318 VanDerWaalsContact CA-CZ2 3.5Å; W318-V322 HydrophobicContact CB-CB 4.23Å; W318-V322 HydrophobicContact CB-CG1 4.19Å; W318-V322 HydrophobicContact CD2-CG1 4.49Å; W318-V322 HydrophobicContact CE3-CG1 4.34Å; W318-V322 HydrophobicContact CG-CG1 4.43Å; W318-R323 HydrophobicContact CB-CG 4.04Å; W318-R323 PolarHBondContact O-NE 3.37Å; W318-L329 HydrophobicContact CB-CD1 4.48Å; W318-L329 HydrophobicContact CG-CD1 4.16Å
319P97.4Very high97.7Very high66 Ų6653.4 Ų53.443%0.42932%0.321SS..  trans-56.4151.1170.4-23.434000111.7A321 V322 R323P319-A321 VanDerWaalsContact C-N 3.25Å; P319-A321 PolarHBondContact O-N 3.3Å; P319-V322 HydrophobicContact CB-CG2 4.46Å; P319-V322 HydrophobicContact CG-CG2 4.42Å; P319-V322 PolarHBondContact O-N 2.82Å; P319-R323 PolarHBondContact O-N 2.64Å; P319-R323 VanDerWaalsContact O-N 3.08Å
320A97.8Very high97.6Very high63 Ų6356.3 Ų56.352%0.52134%0.336SS..Hα-helixtrans-53.5-42.7179.900000112.4V322 R323 E324A320-V322 VanDerWaalsContact C-N 3.25Å; A320-V322 PolarHBondContact O-N 3.24Å; A320-R323 CarbonylContact O-C 3.59Å; A320-R323 WeakPolarHBondContact O-CA 3.18Å; A320-R323 WeakPolarHBondContact O-CB 3.42Å; A320-R323 PolarHBondContact O-N 3.12Å; A320-E324 WeakPolarHBondContact O-CG 3.36Å; A320-E324 PolarHBondContact O-N 3.37Å
321A97.6Very high97.5Very high67 Ų6758.7 Ų58.755%0.55435%0.351SS*.Hα-helixtrans-57.8-34.5177.300000113.6P319 S325P319-A321 VanDerWaalsContact C-N 3.25Å; P319-A321 PolarHBondContact O-N 3.3Å; A321-S325 WeakPolarHBondContact O-CB 3.27Å; A321-S325 PolarHBondContact O-N 3.27Å; A321-S325 VanDerWaalsContact O-N 3.12Å; A321-S325 PolarHBondContact O-OG 2.83Å
322V97.4Very high97.5Very high29 Ų2961.8 Ų61.818%0.17637%0.37CS..Hα-helixtrans-75.5-41.1175.3178.20000110.2W318 P319 A320 E324 S325 V326 L329W318-V322 HydrophobicContact CB-CB 4.23Å; W318-V322 HydrophobicContact CB-CG1 4.19Å; W318-V322 HydrophobicContact CD2-CG1 4.49Å; W318-V322 HydrophobicContact CE3-CG1 4.34Å; W318-V322 HydrophobicContact CG-CG1 4.43Å; P319-V322 HydrophobicContact CB-CG2 4.46Å; P319-V322 HydrophobicContact CG-CG2 4.42Å; P319-V322 PolarHBondContact O-N 2.82Å; A320-V322 VanDerWaalsContact C-N 3.25Å; A320-V322 PolarHBondContact O-N 3.24Å; V322-E324 VanDerWaalsContact C-N 3.25Å; V322-E324 PolarHBondContact O-N 3.36Å; V322-S325 PolarHBondContact O-N 3.42Å; V322-V326 HydrophobicContact CG1-CB 4.4Å; V322-V326 HydrophobicContact CG1-CG2 3.98Å; V322-V326 WeakPolarHBondContact O-CB 3.34Å; V322-V326 PolarHBondContact O-N 3.32Å; V322-L329 HydrophobicContact CG1-CD1 4.22Å
323R96.7Very high97.4Very high155 Ų15564.3 Ų64.359%0.58539%0.386SS*.Hα-helixtrans-62.5-32.3175.7-68-178.7171-170.1-4.5113.1W318 P319 A320 L329W318-R323 HydrophobicContact CB-CG 4.04Å; W318-R323 PolarHBondContact O-NE 3.37Å; P319-R323 PolarHBondContact O-N 2.64Å; P319-R323 VanDerWaalsContact O-N 3.08Å; A320-R323 CarbonylContact O-C 3.59Å; A320-R323 WeakPolarHBondContact O-CA 3.18Å; A320-R323 WeakPolarHBondContact O-CB 3.42Å; A320-R323 PolarHBondContact O-N 3.12Å; R323-L329 HydrophobicContact CG-CD1 4.31Å
324E97.4Very high97.3Very high165 Ų16567.6 Ų67.677%0.77141%0.406SS*.Hα-helixtrans-77.4-38.9177-73171.6-167.100112.3A320 V322A320-E324 WeakPolarHBondContact O-CG 3.36Å; A320-E324 PolarHBondContact O-N 3.37Å; V322-E324 VanDerWaalsContact C-N 3.25Å; V322-E324 PolarHBondContact O-N 3.36Å
325S97.6Very high97.3Very high85 Ų8571.6 Ų71.659%0.59443%0.43SS*.Hα-helixtrans-91.4-24.6-173.860.80000114.7A321 V322 P327A321-S325 WeakPolarHBondContact O-CB 3.27Å; A321-S325 PolarHBondContact O-N 3.27Å; A321-S325 VanDerWaalsContact O-N 3.12Å; A321-S325 PolarHBondContact O-OG 2.83Å; V322-S325 PolarHBondContact O-N 3.42Å; S325-P327 WeakPolarHBondContact O-CD 3.39Å
326V97.8Very high97.3Very high29 Ų2970.7 Ų70.718%0.17642%0.42CS..SBendtrans-109105.6-178.3-175.40000110.1H309 V322 L329H309-V326 HydrophobicContact CB-CG1 3.77Å; V322-V326 HydrophobicContact CG1-CB 4.4Å; V322-V326 HydrophobicContact CG1-CG2 3.98Å; V322-V326 WeakPolarHBondContact O-CB 3.34Å; V322-V326 PolarHBondContact O-N 3.32Å; V326-L329 HydrophobicContact CB-CD1 4.27Å; V326-L329 HydrophobicContact CB-CD2 4.31Å; V326-L329 HydrophobicContact CB-CG 4.24Å; V326-L329 HydrophobicContact CG1-CD2 3.78Å; V326-L329 HydrophobicContact CG1-CG 4.04Å
327P96.4Very high97.3Very high91 Ų9174.4 Ų74.459%0.59144%0.437SS*.THydrogen-bonded Turntrans-71.8158.5177.630.9-35.3000111.3Q312 S325 L329Q312-P327 PolarHBondContact NE2-O 3.48Å; S325-P327 WeakPolarHBondContact O-CD 3.39Å; P327-L329 VanDerWaalsContact C-N 3.25Å; P327-L329 PolarHBondContact O-N 2.85Å
328S95.6Very high97.2Very high85 Ų8573.5 Ų73.559%0.59443%0.431SS*.THydrogen-bonded Turntrans62.923.4171.3-480000115.7K8K8-S328 PolarHBondContact NZ-O 3.26Å
329L97.3Very high97.1Very high36 Ų3678.2 Ų78.219%0.18846%0.461CS..  trans-55.7142.2158.8-61.1173.3000109.2H309 G311 Q312 W318 V322 R323 V326 P327H309-L329 WeakPolarHBondContact ND1-CD2 3.39Å; G311-L329 WeakPolarHBondContact O-CA 3.29Å; Q312-L329 HydrophobicContact CG-CD2 4.33Å; W318-L329 HydrophobicContact CB-CD1 4.48Å; W318-L329 HydrophobicContact CG-CD1 4.16Å; V322-L329 HydrophobicContact CG1-CD1 4.22Å; R323-L329 HydrophobicContact CG-CD1 4.31Å; V326-L329 HydrophobicContact CB-CD1 4.27Å; V326-L329 HydrophobicContact CB-CD2 4.31Å; V326-L329 HydrophobicContact CB-CG 4.24Å; V326-L329 HydrophobicContact CG1-CD2 3.78Å; V326-L329 HydrophobicContact CG1-CG 4.04Å; P327-L329 VanDerWaalsContact C-N 3.25Å; P327-L329 PolarHBondContact O-N 2.85Å
330L96.6Very high97.1Very high67 Ų6779.3 Ų79.335%0.35146%0.464SS..  trans-79.50-177.1-68.6179.5000113.7Y5 K8 I12 G311Y5-L330 HydrophobicContact CD2-CD2 4.11Å; Y5-L330 HydrophobicContact CE2-CD2 3.61Å; K8-L330 VanDerWaalsContact NZ-CD2 3.31Å; I12-L330 HydrophobicContact CD1-CD1 4.23Å; G311-L330 PolarHBondContact O-N 3.49Å

Retrieved 330 of 330 residues in 244 ms (Link to these results)

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