G4VJE6_SCHMA Loading...

pseudouridine 5'-phosphatase

AlphaFold DB , UniProt , Accession G4VJE6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 238 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
1M60.9Low92.2Very high192 Ų19240.5 Ų40.595%0.94620%0.201SC*.  0120.20-168174.7-145.100106.6K3 E227M1-K3 PolarHBondContact O-N 3.39Å; M1-E227 WeakPolarHBondContact CE-O 3.12Å
2T73.3Confident92.4Very high46 Ų4639.1 Ų39.128%0.28220%0.195SC..  trans-64.3127.4173.4-55.70000108V4 D168 H189 F229T2-V4 HydrophobicContact CG2-CG2 4.15Å; T2-D168 WeakPolarHBondContact CG2-O 3.22Å; T2-H189 WeakPolarHBondContact CG2-CD2 3.38Å; T2-H189 WeakPolarHBondContact CG2-NE2 3.4Å; T2-H189 PolarHBondContact OG1-CE1 3.28Å; T2-H189 VanDerWaalsContact OG1-CE1 3.25Å; T2-H189 PolarHBondContact OG1-NE2 3.35Å; T2-H189 VanDerWaalsContact OG1-NE2 3.11Å; T2-F229 CarbonylContact O-C 3.56Å; T2-F229 VanDerWaalsContact O-C 3.31Å; T2-F229 VanDerWaalsContact O-O 3.05Å
3K92.5Very high92.7Very high146 Ų14636.9 Ų36.964%0.63519%0.189SC*.  trans-98.992.3173.9-173.3-178.7180-174.70108.3M1 N169M1-K3 PolarHBondContact O-N 3.39Å; K3-N169 PolarHBondContact O-ND2 2.93Å
4V98.2Very high93Very high4 Ų434.4 Ų34.42%0.02418%0.176CC..  trans-67.6135.9173.6174.60000108.7T2 H6 V7 N169 L171 F229 L231T2-V4 HydrophobicContact CG2-CG2 4.15Å; V4-H6 VanDerWaalsContact CG1-O 3.3Å; V4-H6 WeakPolarHBondContact CG1-O 3.08Å; V4-V7 HydrophobicContact CG1-CG2 4.19Å; V4-N169 WeakPolarHBondContact CA-O 3.37Å; V4-L171 HydrophobicContact CB-CB 4.41Å; V4-L171 HydrophobicContact CG1-CB 3.6Å; V4-L171 HydrophobicContact CG2-CB 3.92Å; V4-F229 HydrophobicContact CB-CB 4.21Å; V4-F229 WeakPolarHBondContact CB-O 3.22Å; V4-F229 HydrophobicContact CG2-CB 3.78Å; V4-F229 HydrophobicContact CG2-CD1 3.92Å; V4-F229 HydrophobicContact CG2-CG 4.32Å; V4-F229 PolarHBondContact N-O 2.85Å; V4-L231 HydrophobicContact CB-CD1 4.42Å; V4-L231 HydrophobicContact CB-CD2 4.22Å; V4-L231 HydrophobicContact CB-CG 4.18Å; V4-L231 HydrophobicContact CG1-CD1 4.13Å; V4-L231 HydrophobicContact CG1-CD2 4.04Å; V4-L231 HydrophobicContact CG1-CG 4.25Å
5T98.2Very high93.4Very high41 Ų4132.1 Ų32.125%0.25217%0.165SC..  trans-122.1-19.117558.80000112.3P105 N169T5-P105 WeakPolarHBondContact O-CD 3.43Å; T5-N169 HydrophobicContact CG2-CB 4.5Å; T5-N169 PolarHBondContact N-O 3.32Å; T5-N169 WeakPolarHBondContact OG1-CB 3.42Å
6H98.8Very high93.6Very high11 Ų1130.1 Ų30.15%0.05115%0.154CC..EExtended strand (participates in β ladder)trans-133.3143-179-63.571.8000110V4 F160 V162 N169 V170 L171V4-H6 VanDerWaalsContact CG1-O 3.3Å; V4-H6 WeakPolarHBondContact CG1-O 3.08Å; H6-F160 HydrophobicContact CB-CD2 4.44Å; H6-F160 HydrophobicContact CB-CE2 4.06Å; H6-F160 HydrophobicContact CB-CZ 4.42Å; H6-F160 AromaticContact CD2-CD1 3.94Å; H6-F160 AromaticContact CD2-CD2 3.49Å; H6-F160 VanDerWaalsContact CD2-CD2 3.49Å; H6-F160 WeakPolarHBondContact CD2-CD2 3.47Å; H6-F160 AromaticContact CD2-CE2 3.86Å; H6-F160 AromaticContact CD2-CG 3.55Å; H6-V162 PolarHBondContact NE2-O 3.26Å; H6-N169 PolarHBondContact N-O 2.92Å; H6-N169 VanDerWaalsContact N-O 3.14Å; H6-V170 HydrophobicContact CB-CG2 4.35Å; H6-V170 WeakPolarHBondContact O-CA 3.36Å; H6-L171 PolarHBondContact O-N 2.91Å
7V98.8Very high93.8Very high0 Ų031.3 Ų31.30%016%0.161CC..EExtended strand (participates in β ladder)trans-122.5137.9176.4-1750000110.1V4 F9 L99 I104 P105 M106 A107 L171 F173 L231V4-V7 HydrophobicContact CG1-CG2 4.19Å; V7-F9 HydrophobicContact CB-CE2 4.11Å; V7-F9 HydrophobicContact CG1-CD2 3.98Å; V7-F9 HydrophobicContact CG1-CE1 4.18Å; V7-F9 HydrophobicContact CG1-CE2 3.37Å; V7-F9 HydrophobicContact CG1-CZ 3.48Å; V7-F9 VanDerWaalsContact CG1-CZ 3.48Å; V7-L99 HydrophobicContact CB-CD1 4.42Å; V7-L99 HydrophobicContact CG1-CD1 4.41Å; V7-L99 HydrophobicContact CG2-CD1 4.06Å; V7-I104 HydrophobicContact CG2-CG2 4.07Å; V7-P105 PolarHBondContact N-O 3.45Å; V7-M106 HydrophobicContact CB-CG 4.12Å; V7-M106 WeakPolarHBondContact O-CA 3.4Å; V7-A107 PolarHBondContact O-N 3.5Å; V7-A107 VanDerWaalsContact O-N 3.13Å; V7-L171 CarbonylContact C-O 3.51Å; V7-L171 VanDerWaalsContact CA-O 3.29Å; V7-L171 WeakPolarHBondContact CA-O 3.41Å; V7-L171 WeakPolarHBondContact CG1-O 3.22Å; V7-L171 HydrophobicContact CG2-CB 4.45Å; V7-F173 HydrophobicContact CG1-CD2 3.59Å; V7-F173 HydrophobicContact CG1-CE2 3.52Å; V7-L231 HydrophobicContact CG2-CD1 4.08Å
8I98.9Very high93.9Very high0 Ų029.6 Ų29.60%015%0.152CC..EExtended strand (participates in β ladder)trans-122.8130.8174.8-58.9171.2000107.6A107 A109 F153 T156 A157 F160 V170 L171 V172 F173 M188I8-A107 WeakPolarHBondContact CA-O 3.38Å; I8-A109 HydrophobicContact CG2-CB 3.51Å; I8-F153 HydrophobicContact CG2-CD1 3.95Å; I8-F153 HydrophobicContact CG2-CE1 4.11Å; I8-T156 HydrophobicContact CD1-CG2 3.81Å; I8-T156 HydrophobicContact CG1-CG2 3.93Å; I8-T156 HydrophobicContact CG2-CG2 3.83Å; I8-A157 HydrophobicContact CD1-CB 4.27Å; I8-F160 HydrophobicContact CD1-CE2 4.46Å; I8-F160 HydrophobicContact CG1-CE2 4.13Å; I8-F160 HydrophobicContact CG1-CZ 4.37Å; I8-V170 HydrophobicContact CD1-CG1 3.66Å; I8-V170 HydrophobicContact CG1-CG1 3.98Å; I8-L171 PolarHBondContact N-O 3.24Å; I8-V172 HydrophobicContact CB-CG2 4.42Å; I8-V172 CarbonylContact O-C 3.57Å; I8-V172 VanDerWaalsContact O-CA 3.28Å; I8-V172 WeakPolarHBondContact O-CA 3.36Å; I8-F173 PolarHBondContact O-N 3.48Å; I8-M188 HydrophobicContact CD1-SD 4.4Å
9F98.8Very high93.9Very high0 Ų030.1 Ų30.10%015%0.154CC..EExtended strand (participates in β ladder)trans-110133.6176.8-63.8-90.9000109.8V7 I15 L95 I96 L99 M106 A107 L108 A109 F173 M221V7-F9 HydrophobicContact CB-CE2 4.11Å; V7-F9 HydrophobicContact CG1-CD2 3.98Å; V7-F9 HydrophobicContact CG1-CE1 4.18Å; V7-F9 HydrophobicContact CG1-CE2 3.37Å; V7-F9 HydrophobicContact CG1-CZ 3.48Å; V7-F9 VanDerWaalsContact CG1-CZ 3.48Å; F9-I15 HydrophobicContact CB-CD1 3.7Å; F9-I15 HydrophobicContact CB-CG1 4.25Å; F9-I15 HydrophobicContact CG-CD1 4.28Å; F9-L95 HydrophobicContact CE1-CD2 3.93Å; F9-L95 HydrophobicContact CE1-CG 4.49Å; F9-L95 HydrophobicContact CZ-CD2 4.15Å; F9-L95 HydrophobicContact CZ-CG 4.29Å; F9-I96 HydrophobicContact CD2-CG1 4.44Å; F9-I96 HydrophobicContact CE1-CG1 4.41Å; F9-I96 HydrophobicContact CE2-CG1 4.04Å; F9-I96 HydrophobicContact CZ-CG1 4.03Å; F9-L99 HydrophobicContact CE2-CD1 4.41Å; F9-L99 HydrophobicContact CZ-CD1 3.99Å; F9-M106 HydrophobicContact CE2-CB 4.43Å; F9-M106 HydrophobicContact CE2-CG 4.18Å; F9-M106 HydrophobicContact CE2-SD 3.81Å; F9-A107 PolarHBondContact N-O 2.94Å; F9-L108 HydrophobicContact CB-CD2 4.05Å; F9-L108 CarbonylContact O-C 3.49Å; F9-L108 WeakPolarHBondContact O-CA 3.41Å; F9-A109 PolarHBondContact O-N 3.46Å; F9-F173 HydrophobicContact CD1-CB 3.66Å; F9-F173 AromaticContact CD1-CD2 3.88Å; F9-F173 HydrophobicContact CD1-CD2 3.88Å; F9-F173 AromaticContact CD1-CG 3.8Å; F9-F173 HydrophobicContact CD1-CG 3.8Å; F9-F173 HydrophobicContact CE1-CB 4.08Å; F9-F173 HydrophobicContact CE1-CD1 4.18Å; F9-F173 AromaticContact CE1-CD2 3.51Å; F9-F173 HydrophobicContact CE1-CD2 3.51Å; F9-F173 AromaticContact CE1-CE2 3.93Å; F9-F173 HydrophobicContact CE1-CE2 3.93Å; F9-F173 AromaticContact CE1-CG 3.66Å; F9-F173 HydrophobicContact CE1-CG 3.66Å; F9-F173 HydrophobicContact CE1-CZ 4.42Å; F9-F173 HydrophobicContact CZ-CD2 4.06Å; F9-F173 HydrophobicContact CZ-CE2 4.18Å; F9-M221 HydrophobicContact CD1-SD 4.3Å; F9-M221 HydrophobicContact CE1-SD 4.11Å
10D98.1Very high93.9Very high5 Ų531.7 Ų31.73%0.02717%0.167CC..  trans-63.7170.5152.3-17163.8000110.5D12 L14 I15 K147 F173 E174D10-D12 PolarHBondContact OD2-N 3.13Å; D10-D12 VanDerWaalsContact OD2-N 3.11Å; D10-D12 VanDerWaalsContact OD2-O 3.07Å; D10-L14 HydrophobicContact CB-CB 4.42Å; D10-L14 HydrophobicContact CB-CD2 3.78Å; D10-L14 WeakPolarHBondContact O-CD2 3.4Å; D10-I15 WeakPolarHBondContact O-CD1 3.09Å; D10-I15 WeakPolarHBondContact O-CG1 3.38Å; D10-K147 IonicContact OD1-NZ 2.86Å; D10-K147 PolarHBondContact OD1-NZ 2.69Å; D10-F173 PolarHBondContact N-O 2.96Å; D10-E174 HydrophobicContact CB-CG 4.31Å
11V97.6Very high94Very high0 Ų030.7 Ų30.70%016%0.162CC..  trans-117-52.7-177.6-178.80000111.4L14 I15 L16 L108 L117 M121V11-L14 PolarHBondContact O-N 3.25Å; V11-I15 PolarHBondContact O-N 3.11Å; V11-L16 HydrophobicContact CG1-CD1 4.09Å; V11-L16 HydrophobicContact CG1-CG 4.21Å; V11-L16 PolarHBondContact O-N 3.25Å; V11-L108 HydrophobicContact CG2-CB 4.02Å; V11-L108 HydrophobicContact CG2-CD1 4.06Å; V11-L108 HydrophobicContact CG2-CD2 4.32Å; V11-L108 HydrophobicContact CG2-CG 4.36Å; V11-L117 HydrophobicContact CB-CD1 4.43Å; V11-L117 HydrophobicContact CG1-CD1 4Å; V11-L117 HydrophobicContact CG2-CD1 4.04Å; V11-M121 HydrophobicContact CG1-SD 4.18Å
12D95.3Very high95.6Very high24 Ų2423.9 Ų23.913%0.12813%0.126CC..BIsolated β-bridgetrans-79.7121.5-169-83-61000110.5D10 L14 T18 K120D10-D12 PolarHBondContact OD2-N 3.13Å; D10-D12 VanDerWaalsContact OD2-N 3.11Å; D10-D12 VanDerWaalsContact OD2-O 3.07Å; D12-L14 PolarHBondContact O-N 2.81Å; D12-T18 WeakPolarHBondContact CA-OG1 3.46Å; D12-T18 WeakPolarHBondContact CB-OG1 3.33Å; D12-T18 VanDerWaalsContact OD1-CB 3.27Å; D12-T18 WeakPolarHBondContact OD1-CB 3.3Å; D12-T18 WeakPolarHBondContact OD1-CG2 3.36Å; D12-T18 PolarHBondContact OD1-OG1 3.06Å; D12-K120 WeakPolarHBondContact OD1-CE 3.41Å; D12-K120 IonicContact OD1-NZ 2.65Å; D12-K120 PolarHBondContact OD1-NZ 3.14Å; D12-K120 IonicContact OD2-NZ 3.62Å; D12-K120 PolarHBondContact OD2-NZ 3.12Å
13G95.3Very high96.6Very high11 Ų1123 Ų2311%0.11312%0.121CC..THydrogen-bonded Turntrans74.13.3-175.700000114.4L16 T18 L89G13-L16 WeakPolarHBondContact CA-O 3.22Å; G13-L16 PolarHBondContact N-O 2.97Å; G13-T18 PolarHBondContact N-OG1 3.09Å; G13-L89 VanDerWaalsContact C-CD1 3.44Å; G13-L89 WeakPolarHBondContact O-CD1 3.33Å
14L97.6Very high96.8Very high2 Ų220.1 Ų20.11%0.0111%0.11CC..THydrogen-bonded Turntrans-124.3-66.4179.1-178.873.7000112.9D10 V11 D12 L89 F173 D175 I193 M221D10-L14 HydrophobicContact CB-CB 4.42Å; D10-L14 HydrophobicContact CB-CD2 3.78Å; D10-L14 WeakPolarHBondContact O-CD2 3.4Å; V11-L14 PolarHBondContact O-N 3.25Å; D12-L14 PolarHBondContact O-N 2.81Å; L14-L89 WeakPolarHBondContact O-CB 3.44Å; L14-L89 VanDerWaalsContact O-CD1 3.28Å; L14-L89 WeakPolarHBondContact O-CD1 3.49Å; L14-F173 HydrophobicContact CD1-CB 4.38Å; L14-F173 HydrophobicContact CD2-CB 3.62Å; L14-F173 WeakPolarHBondContact CD2-O 3.5Å; L14-D175 HydrophobicContact CB-CB 4.43Å; L14-I193 HydrophobicContact CD1-CB 4.1Å; L14-I193 HydrophobicContact CD1-CD1 3.99Å; L14-I193 HydrophobicContact CD1-CG1 4.39Å; L14-M221 HydrophobicContact CD1-CE 4.13Å; L14-M221 HydrophobicContact CG-CE 4.06Å; L14-M221 WeakPolarHBondContact O-CE 3.42Å
15I98.2Very high96.7Very high0 Ų020.3 Ų20.30%011%0.11CC..THydrogen-bonded Turntrans-75.9-50173.4-69.3175.5000108.4F9 D10 V11 C88 L89 A92 I96 L108 I127F9-I15 HydrophobicContact CB-CD1 3.7Å; F9-I15 HydrophobicContact CB-CG1 4.25Å; F9-I15 HydrophobicContact CG-CD1 4.28Å; D10-I15 WeakPolarHBondContact O-CD1 3.09Å; D10-I15 WeakPolarHBondContact O-CG1 3.38Å; V11-I15 PolarHBondContact O-N 3.11Å; I15-C88 CarbonylContact O-C 3.52Å; I15-C88 WeakPolarHBondContact O-CA 3.48Å; I15-L89 PolarHBondContact O-N 2.8Å; I15-A92 HydrophobicContact CG2-CB 4.4Å; I15-I96 HydrophobicContact CD1-CD1 3.77Å; I15-I96 HydrophobicContact CG1-CD1 4.16Å; I15-L108 HydrophobicContact CD1-CD2 3.47Å; I15-L108 VanDerWaalsContact CD1-CD2 3.47Å; I15-I127 HydrophobicContact CG2-CD1 3.96Å
16L97.8Very high96.6Very high0 Ų018.5 Ų18.50%010%0.099CC..BIsolated β-bridgetrans-105.7140-177.5-59.8-176.9000110.6V11 G13 T18 V86 K120 M121 H124V11-L16 HydrophobicContact CG1-CD1 4.09Å; V11-L16 HydrophobicContact CG1-CG 4.21Å; V11-L16 PolarHBondContact O-N 3.25Å; G13-L16 WeakPolarHBondContact CA-O 3.22Å; G13-L16 PolarHBondContact N-O 2.97Å; L16-T18 HydrophobicContact CB-CG2 3.86Å; L16-T18 HydrophobicContact CD1-CG2 4.43Å; L16-T18 PolarHBondContact O-N 3.26Å; L16-V86 HydrophobicContact CB-CG1 4.47Å; L16-V86 HydrophobicContact CB-CG2 4.18Å; L16-V86 HydrophobicContact CD1-CG1 4.08Å; L16-V86 HydrophobicContact CD2-CG1 4.31Å; L16-K120 HydrophobicContact CD1-CB 3.85Å; L16-K120 WeakPolarHBondContact CD1-O 3.43Å; L16-M121 HydrophobicContact CD1-SD 3.64Å; L16-M121 HydrophobicContact CD2-SD 4.28Å; L16-M121 HydrophobicContact CG-SD 4.07Å; L16-H124 HydrophobicContact CD2-CB 4.45Å; L16-H124 WeakPolarHBondContact CD2-CD2 3.38Å
17D96.8Very high96.5Very high50 Ų5019.8 Ų19.827%0.26711%0.109SC..  trans-77.255.1171.6-173.718.4000111.9E19 S20 V86 Q87 L89D17-E19 PolarHBondContact O-N 3.15Å; D17-S20 PolarHBondContact O-N 3.4Å; D17-S20 WeakPolarHBondContact OD1-CB 3.28Å; D17-S20 PolarHBondContact OD1-N 3.39Å; D17-S20 PolarHBondContact OD1-OG 3.06Å; D17-S20 VanDerWaalsContact OD2-CB 3.3Å; D17-S20 WeakPolarHBondContact OD2-CB 3.46Å; D17-S20 PolarHBondContact OD2-OG 3.38Å; D17-V86 VanDerWaalsContact C-CG2 3.47Å; D17-V86 WeakPolarHBondContact O-CG2 3.26Å; D17-Q87 PolarHBondContact N-O 3.05Å; D17-L89 HydrophobicContact CB-CD2 3.89Å; D17-L89 HydrophobicContact CB-CG 4.07Å
18T95.8Very high96.5Very high0 Ų023.8 Ų23.80%013%0.131CC..Hα-helixtrans-69-24.717651.90000111.8D12 G13 L16 S20 I21 Y22 W83 V86 K120D12-T18 WeakPolarHBondContact CA-OG1 3.46Å; D12-T18 WeakPolarHBondContact CB-OG1 3.33Å; D12-T18 VanDerWaalsContact OD1-CB 3.27Å; D12-T18 WeakPolarHBondContact OD1-CB 3.3Å; D12-T18 WeakPolarHBondContact OD1-CG2 3.36Å; D12-T18 PolarHBondContact OD1-OG1 3.06Å; G13-T18 PolarHBondContact N-OG1 3.09Å; L16-T18 HydrophobicContact CB-CG2 3.86Å; L16-T18 HydrophobicContact CD1-CG2 4.43Å; L16-T18 PolarHBondContact O-N 3.26Å; T18-S20 VanDerWaalsContact C-N 3.29Å; T18-S20 PolarHBondContact O-N 2.94Å; T18-I21 PolarHBondContact O-N 3.41Å; T18-I21 VanDerWaalsContact O-N 3.1Å; T18-Y22 VanDerWaalsContact O-CD2 3.23Å; T18-Y22 WeakPolarHBondContact O-CD2 3.18Å; T18-Y22 PolarHBondContact O-N 3.08Å; T18-Y22 VanDerWaalsContact O-N 3.14Å; T18-W83 HydrophobicContact CG2-CE3 4.06Å; T18-W83 HydrophobicContact CG2-CH2 4.49Å; T18-W83 HydrophobicContact CG2-CZ3 3.7Å; T18-V86 HydrophobicContact CG2-CG2 4Å; T18-K120 HydrophobicContact CG2-CD 4.18Å; T18-K120 HydrophobicContact CG2-CG 4.41Å
19E93.9Very high96.4Very high40 Ų4024.8 Ų24.819%0.18714%0.135CC..Hα-helixtrans-61.1-33.3177.2-73.1-60.3123.400113.1D17 I21 T23 K42D17-E19 PolarHBondContact O-N 3.15Å; E19-I21 VanDerWaalsContact C-N 3.34Å; E19-I21 PolarHBondContact O-N 3.12Å; E19-T23 WeakPolarHBondContact O-CB 3.32Å; E19-T23 PolarHBondContact O-N 2.77Å; E19-T23 PolarHBondContact O-OG1 3.34Å; E19-K42 WeakPolarHBondContact OE2-CE 3.29Å; E19-K42 IonicContact OE2-NZ 2.62Å; E19-K42 PolarHBondContact OE2-NZ 3.45Å
20S94.1Very high96.3Very high61 Ų6124.8 Ų24.843%0.42714%0.135SC..Hα-helixtrans-60.3-42.2172.6-79.10000112.3D17 T18 T23 E24D17-S20 PolarHBondContact O-N 3.4Å; D17-S20 WeakPolarHBondContact OD1-CB 3.28Å; D17-S20 PolarHBondContact OD1-N 3.39Å; D17-S20 PolarHBondContact OD1-OG 3.06Å; D17-S20 VanDerWaalsContact OD2-CB 3.3Å; D17-S20 WeakPolarHBondContact OD2-CB 3.46Å; D17-S20 PolarHBondContact OD2-OG 3.38Å; T18-S20 VanDerWaalsContact C-N 3.29Å; T18-S20 PolarHBondContact O-N 2.94Å; S20-T23 PolarHBondContact O-N 3.25Å; S20-E24 WeakPolarHBondContact O-CB 3.26Å; S20-E24 PolarHBondContact O-N 3.34Å
21I95.6Very high96.3Very high11 Ų1127.9 Ų27.96%0.05616%0.157CC..Hα-helixtrans-69.6-45.8179.7-65170.2000110.8T18 E19 T23 E24 F25 I78 R82 W83 V86T18-I21 PolarHBondContact O-N 3.41Å; T18-I21 VanDerWaalsContact O-N 3.1Å; E19-I21 VanDerWaalsContact C-N 3.34Å; E19-I21 PolarHBondContact O-N 3.12Å; I21-T23 VanDerWaalsContact C-N 3.31Å; I21-T23 PolarHBondContact O-N 2.89Å; I21-E24 PolarHBondContact O-N 3.1Å; I21-F25 PolarHBondContact O-N 2.71Å; I21-I78 HydrophobicContact CG2-CD1 4.25Å; I21-I78 HydrophobicContact CG2-CG1 4.15Å; I21-I78 HydrophobicContact CG2-CG2 4.09Å; I21-R82 WeakPolarHBondContact CD1-O 3.14Å; I21-W83 HydrophobicContact CB-CZ3 4.12Å; I21-W83 HydrophobicContact CD1-CE3 3.58Å; I21-W83 HydrophobicContact CD1-CZ3 3.67Å; I21-W83 HydrophobicContact CG1-CZ3 4.47Å; I21-W83 HydrophobicContact CG2-CH2 4.4Å; I21-W83 HydrophobicContact CG2-CZ3 4.15Å; I21-V86 HydrophobicContact CD1-CB 4.21Å; I21-V86 HydrophobicContact CD1-CG2 4.33Å
22Y94.3Very high96.2Very high50 Ų5031 Ų3120%0.19619%0.189CC..Hα-helixtrans-63.2-38.5176.5-71.7-64000112.1T18 T26 I78 W83 K120T18-Y22 VanDerWaalsContact O-CD2 3.23Å; T18-Y22 WeakPolarHBondContact O-CD2 3.18Å; T18-Y22 PolarHBondContact O-N 3.08Å; T18-Y22 VanDerWaalsContact O-N 3.14Å; Y22-T26 WeakPolarHBondContact O-CB 3.46Å; Y22-T26 PolarHBondContact O-N 3.28Å; Y22-T26 PolarHBondContact O-OG1 2.96Å; Y22-I78 HydrophobicContact CD1-CD1 3.41Å; Y22-I78 VanDerWaalsContact CD1-CD1 3.41Å; Y22-I78 HydrophobicContact CE1-CD1 3.58Å; Y22-I78 HydrophobicContact CG-CD1 4.37Å; Y22-W83 HydrophobicContact CE1-CH2 4.28Å; Y22-W83 AromaticContact CE2-CH2 3.83Å; Y22-W83 HydrophobicContact CE2-CH2 3.83Å; Y22-W83 AromaticContact CZ-CH2 3.68Å; Y22-K120 PolarHBondContact OH-NZ 3.46Å
23T94.6Very high96.3Very high28 Ų2833.9 Ų33.917%0.17220%0.199CC..Hα-helixtrans-67.5-41.9176.9-60.60000111.1E19 S20 I21 T26 S27 F37E19-T23 WeakPolarHBondContact O-CB 3.32Å; E19-T23 PolarHBondContact O-N 2.77Å; E19-T23 PolarHBondContact O-OG1 3.34Å; S20-T23 PolarHBondContact O-N 3.25Å; I21-T23 VanDerWaalsContact C-N 3.31Å; I21-T23 PolarHBondContact O-N 2.89Å; T23-T26 PolarHBondContact O-N 3.19Å; T23-S27 VanDerWaalsContact O-CB 3.22Å; T23-S27 WeakPolarHBondContact O-CB 3.15Å; T23-S27 PolarHBondContact O-N 2.6Å; T23-S27 PolarHBondContact O-OG 3.14Å; T23-F37 HydrophobicContact CG2-CD1 4.07Å; T23-F37 HydrophobicContact CG2-CE1 4.25Å
24E95.8Very high96.4Very high84 Ų8440.9 Ų40.939%0.39323%0.234SC..Hα-helixtrans-59.1-51.8175.1-171.8-164.2168.200110.7S20 I21 T26 S27 N28 Y77 R82S20-E24 WeakPolarHBondContact O-CB 3.26Å; S20-E24 PolarHBondContact O-N 3.34Å; I21-E24 PolarHBondContact O-N 3.1Å; E24-T26 PolarHBondContact O-N 3.04Å; E24-S27 PolarHBondContact O-N 3.3Å; E24-N28 WeakPolarHBondContact O-CB 3.38Å; E24-N28 VanDerWaalsContact O-CG 3.25Å; E24-N28 PolarHBondContact O-N 2.91Å; E24-N28 PolarHBondContact O-ND2 2.75Å; E24-Y77 WeakPolarHBondContact CG-OH 3.17Å; E24-Y77 PolarHBondContact OE1-OH 3.27Å; E24-R82 IonicContact OE1-NH1 3.69Å; E24-R82 PolarHBondContact OE1-NH1 3.44Å; E24-R82 IonicContact OE2-NH1 3.08Å; E24-R82 PolarHBondContact OE2-NH1 3.03Å
25F96.7Very high96.4Very high8 Ų843.2 Ų43.24%0.03525%0.246CC..Hα-helixtrans-55-53.8176.3167.5-107.3000111.5I21 S27 N28 F29 F70 K73 Q74 Y77 I78I21-F25 PolarHBondContact O-N 2.71Å; F25-S27 VanDerWaalsContact C-N 3.31Å; F25-S27 PolarHBondContact O-N 3.07Å; F25-N28 PolarHBondContact O-N 2.98Å; F25-F29 HydrophobicContact CE2-CB 4.37Å; F25-F29 HydrophobicContact CZ-CB 4.28Å; F25-F29 HydrophobicContact CZ-CG 4.46Å; F25-F29 VanDerWaalsContact O-CB 3.31Å; F25-F29 WeakPolarHBondContact O-CB 3.5Å; F25-F29 PolarHBondContact O-N 3.3Å; F25-F70 HydrophobicContact CE1-CD2 4.41Å; F25-F70 AromaticContact CE1-CE2 3.6Å; F25-F70 HydrophobicContact CE1-CE2 3.6Å; F25-F70 AromaticContact CE1-CZ 3.67Å; F25-F70 HydrophobicContact CE1-CZ 3.67Å; F25-F70 HydrophobicContact CZ-CD2 4.48Å; F25-F70 HydrophobicContact CZ-CE2 4.04Å; F25-F70 HydrophobicContact CZ-CZ 4.49Å; F25-K73 HydrophobicContact CE2-CB 4.41Å; F25-K73 WeakPolarHBondContact CE2-O 3.48Å; F25-K73 HydrophobicContact CZ-CB 4.25Å; F25-Q74 HydrophobicContact CD1-CB 4.07Å; F25-Q74 HydrophobicContact CD1-CG 3.74Å; F25-Q74 HydrophobicContact CE1-CB 3.44Å; F25-Q74 VanDerWaalsContact CE1-CB 3.44Å; F25-Q74 HydrophobicContact CE1-CG 3.63Å; F25-Q74 HydrophobicContact CE2-CB 4.25Å; F25-Q74 HydrophobicContact CG-CG 4.34Å; F25-Q74 HydrophobicContact CZ-CB 3.55Å; F25-Q74 HydrophobicContact CZ-CG 4.16Å; F25-Y77 HydrophobicContact CB-CD1 3.59Å; F25-Y77 HydrophobicContact CB-CE1 3.69Å; F25-Y77 HydrophobicContact CB-CG 4.39Å; F25-Y77 AromaticContact CD2-CD1 3.62Å; F25-Y77 HydrophobicContact CD2-CD1 3.62Å; F25-Y77 HydrophobicContact CD2-CD2 4.22Å; F25-Y77 HydrophobicContact CD2-CE1 4.32Å; F25-Y77 AromaticContact CD2-CG 3.54Å; F25-Y77 HydrophobicContact CD2-CG 3.54Å; F25-Y77 HydrophobicContact CE2-CG 4.34Å; F25-Y77 AromaticContact CG-CD1 4Å; F25-Y77 HydrophobicContact CG-CD1 4Å; F25-Y77 HydrophobicContact CG-CG 4.37Å; F25-I78 HydrophobicContact CB-CD1 4.27Å; F25-I78 HydrophobicContact CB-CG1 4.39Å
26T96.6Very high96.3Very high4 Ų451.4 Ų51.43%0.02528%0.284CS..Hα-helixtrans-65-38.6-173.9-53.20000111.3Y22 T23 E24 F29 L30 F37 L57Y22-T26 WeakPolarHBondContact O-CB 3.46Å; Y22-T26 PolarHBondContact O-N 3.28Å; Y22-T26 PolarHBondContact O-OG1 2.96Å; T23-T26 PolarHBondContact O-N 3.19Å; E24-T26 PolarHBondContact O-N 3.04Å; T26-F29 PolarHBondContact O-N 3.15Å; T26-L30 HydrophobicContact CG2-CD1 4.26Å; T26-L30 HydrophobicContact CG2-CG 4.46Å; T26-L30 WeakPolarHBondContact O-CB 3.27Å; T26-L30 WeakPolarHBondContact O-CG 3.4Å; T26-L30 PolarHBondContact O-N 3.24Å; T26-F37 HydrophobicContact CG2-CD1 3.93Å; T26-F37 HydrophobicContact CG2-CD2 3.64Å; T26-F37 HydrophobicContact CG2-CE1 3.91Å; T26-F37 HydrophobicContact CG2-CE2 3.62Å; T26-F37 HydrophobicContact CG2-CG 3.81Å; T26-F37 HydrophobicContact CG2-CZ 3.76Å; T26-L57 HydrophobicContact CG2-CD1 4.04Å; T26-L57 HydrophobicContact CG2-CD2 3.86Å
27S96.9Very high96.1Very high37 Ų3753 Ų5326%0.25929%0.291SS..Hα-helixtrans-65.7-43.2176.5-57.30000111.8T23 E24 F25 S31T23-S27 VanDerWaalsContact O-CB 3.22Å; T23-S27 WeakPolarHBondContact O-CB 3.15Å; T23-S27 PolarHBondContact O-N 2.6Å; T23-S27 PolarHBondContact O-OG 3.14Å; E24-S27 PolarHBondContact O-N 3.3Å; F25-S27 VanDerWaalsContact C-N 3.31Å; F25-S27 PolarHBondContact O-N 3.07Å; S27-S31 VanDerWaalsContact O-CB 3.31Å; S27-S31 WeakPolarHBondContact O-CB 3.46Å; S27-S31 PolarHBondContact O-N 2.83Å; S27-S31 PolarHBondContact O-OG 2.88Å
28N97.2Very high95.8Very high85 Ų8553.8 Ų53.846%0.45530%0.295SS..Hα-helixtrans-65.5-43.5176.3-73.2-27.2000111.6E24 F25 S31 G32 Y77E24-N28 WeakPolarHBondContact O-CB 3.38Å; E24-N28 VanDerWaalsContact O-CG 3.25Å; E24-N28 PolarHBondContact O-N 2.91Å; E24-N28 PolarHBondContact O-ND2 2.75Å; F25-N28 PolarHBondContact O-N 2.98Å; N28-S31 PolarHBondContact O-N 3.48Å; N28-G32 PolarHBondContact O-N 2.96Å; N28-Y77 PolarHBondContact ND2-OH 2.94Å
29F97.4Very high95.6Very high21 Ų2154.8 Ų54.89%0.09230%0.299CS..Hα-helixtrans-58.7-49.9176.3172.9-100.3000111.5F25 T26 S31 G32 Y33 L57 L58 L63 L65 F70 K73F25-F29 HydrophobicContact CE2-CB 4.37Å; F25-F29 HydrophobicContact CZ-CB 4.28Å; F25-F29 HydrophobicContact CZ-CG 4.46Å; F25-F29 VanDerWaalsContact O-CB 3.31Å; F25-F29 WeakPolarHBondContact O-CB 3.5Å; F25-F29 PolarHBondContact O-N 3.3Å; T26-F29 PolarHBondContact O-N 3.15Å; F29-S31 PolarHBondContact O-N 3.35Å; F29-G32 PolarHBondContact O-N 2.86Å; F29-Y33 HydrophobicContact CE1-CE2 4.38Å; F29-Y33 HydrophobicContact CE2-CE2 4.1Å; F29-Y33 AromaticContact CZ-CE2 3.96Å; F29-Y33 HydrophobicContact CZ-CE2 3.96Å; F29-Y33 WeakPolarHBondContact O-CD2 3.2Å; F29-L57 HydrophobicContact CD1-CD2 4.39Å; F29-L57 HydrophobicContact CE1-CD2 4.35Å; F29-L58 HydrophobicContact CE1-CD2 4.45Å; F29-L58 HydrophobicContact CZ-CD2 4.31Å; F29-L63 HydrophobicContact CE1-CD1 3.67Å; F29-L63 HydrophobicContact CZ-CD1 4.22Å; F29-L65 HydrophobicContact CE2-CD1 3.81Å; F29-L65 HydrophobicContact CZ-CD1 3.62Å; F29-F70 HydrophobicContact CD1-CD2 4.05Å; F29-F70 AromaticContact CD1-CE2 3.76Å; F29-F70 HydrophobicContact CD1-CE2 3.76Å; F29-F70 AromaticContact CE1-CD2 3.65Å; F29-F70 HydrophobicContact CE1-CD2 3.65Å; F29-F70 AromaticContact CE1-CE2 3.79Å; F29-F70 HydrophobicContact CE1-CE2 3.79Å; F29-F70 HydrophobicContact CE2-CD2 4.16Å; F29-F70 HydrophobicContact CG-CD2 4.45Å; F29-F70 HydrophobicContact CG-CE2 4.22Å; F29-F70 AromaticContact CZ-CD2 3.71Å; F29-F70 HydrophobicContact CZ-CD2 3.71Å; F29-F70 HydrophobicContact CZ-CE2 4.28Å; F29-K73 HydrophobicContact CD2-CD 4.2Å; F29-K73 HydrophobicContact CE2-CD 3.8Å
30L97.7Very high95.4Very high0 Ų058 Ų580%032%0.318CS..Hα-helixtrans-68.1-32.4178.4-71.6-178.4000113.2T26 G32 Y33 N34 L35 F37 L57 Y61 L63T26-L30 HydrophobicContact CG2-CD1 4.26Å; T26-L30 HydrophobicContact CG2-CG 4.46Å; T26-L30 WeakPolarHBondContact O-CB 3.27Å; T26-L30 WeakPolarHBondContact O-CG 3.4Å; T26-L30 PolarHBondContact O-N 3.24Å; L30-G32 PolarHBondContact O-N 3.4Å; L30-Y33 CarbonylContact O-C 3.55Å; L30-Y33 WeakPolarHBondContact O-CA 3.48Å; L30-Y33 WeakPolarHBondContact O-CB 3.49Å; L30-Y33 PolarHBondContact O-N 3.12Å; L30-N34 PolarHBondContact O-N 3.14Å; L30-L35 CarbonylContact C-O 3.49Å; L30-L35 HydrophobicContact CB-CB 4.06Å; L30-L35 HydrophobicContact CD2-CB 4.36Å; L30-L35 HydrophobicContact CD2-CD1 4.29Å; L30-L35 PolarHBondContact O-N 2.97Å; L30-F37 HydrophobicContact CD1-CB 3.8Å; L30-F37 HydrophobicContact CD1-CD2 3.94Å; L30-F37 HydrophobicContact CD1-CG 4.22Å; L30-L57 HydrophobicContact CD1-CD1 4.24Å; L30-Y61 HydrophobicContact CD1-CD2 4.19Å; L30-Y61 HydrophobicContact CD1-CE2 3.63Å; L30-Y61 HydrophobicContact CD2-CD2 3.83Å; L30-Y61 HydrophobicContact CD2-CE2 4.15Å; L30-Y61 HydrophobicContact CD2-CG 4.21Å; L30-L63 HydrophobicContact CD2-CD1 3.79Å
31S97Very high95.3Very high70 Ų7055.2 Ų55.249%0.4930%0.298SS..Hα-helixtrans-61.3-30.8175.7-64.40000112.1S27 N28 F29 Y33 N34S27-S31 VanDerWaalsContact O-CB 3.31Å; S27-S31 WeakPolarHBondContact O-CB 3.46Å; S27-S31 PolarHBondContact O-N 2.83Å; S27-S31 PolarHBondContact O-OG 2.88Å; N28-S31 PolarHBondContact O-N 3.48Å; F29-S31 PolarHBondContact O-N 3.35Å; S31-Y33 PolarHBondContact O-N 2.99Å; S31-Y33 VanDerWaalsContact O-N 3.13Å; S31-N34 PolarHBondContact O-N 3.31Å
32G96.2Very high95.2Very high64 Ų6455.1 Ų55.166%0.6630%0.297SS*.THydrogen-bonded Turntrans-60.4-18.4171.400000114.2N28 F29 L30N28-G32 PolarHBondContact O-N 2.96Å; F29-G32 PolarHBondContact O-N 2.86Å; L30-G32 PolarHBondContact O-N 3.4Å
33Y96.6Very high94.8Very high85 Ų8556.2 Ų56.233%0.33330%0.303SS..THydrogen-bonded Turntrans-1089.7174.8-62.5-84.1000113F29 L30 S31 L35 L63 P64 L65F29-Y33 HydrophobicContact CE1-CE2 4.38Å; F29-Y33 HydrophobicContact CE2-CE2 4.1Å; F29-Y33 AromaticContact CZ-CE2 3.96Å; F29-Y33 HydrophobicContact CZ-CE2 3.96Å; F29-Y33 WeakPolarHBondContact O-CD2 3.2Å; L30-Y33 CarbonylContact O-C 3.55Å; L30-Y33 WeakPolarHBondContact O-CA 3.48Å; L30-Y33 WeakPolarHBondContact O-CB 3.49Å; L30-Y33 PolarHBondContact O-N 3.12Å; S31-Y33 PolarHBondContact O-N 2.99Å; S31-Y33 VanDerWaalsContact O-N 3.13Å; Y33-L35 PolarHBondContact O-N 3.31Å; Y33-L63 HydrophobicContact CD1-CD2 3.76Å; Y33-L63 HydrophobicContact CD2-CD2 3.86Å; Y33-L63 HydrophobicContact CE1-CD2 4.13Å; Y33-L63 HydrophobicContact CE2-CD2 4.22Å; Y33-L63 HydrophobicContact CG-CD2 3.61Å; Y33-P64 HydrophobicContact CE1-CG 4.17Å; Y33-L65 VanDerWaalsContact OH-CD1 3.22Å; Y33-L65 WeakPolarHBondContact OH-CD1 3.43Å
34N97.3Very high94.4Very high159 Ų15959.2 Ų59.285%0.8532%0.317SS*.THydrogen-bonded Turntrans57.531.9-171.3-54.3-65.6000113.7L30 S31L30-N34 PolarHBondContact O-N 3.14Å; S31-N34 PolarHBondContact O-N 3.31Å
35L97.4Very high94.1Very high51 Ų5156.2 Ų56.227%0.26730%0.304SS..  trans-108.5151.8178.1-64.2169.4000110.6L30 Y33 Y61 L63L30-L35 CarbonylContact C-O 3.49Å; L30-L35 HydrophobicContact CB-CB 4.06Å; L30-L35 HydrophobicContact CD2-CB 4.36Å; L30-L35 HydrophobicContact CD2-CD1 4.29Å; L30-L35 PolarHBondContact O-N 2.97Å; Y33-L35 PolarHBondContact O-N 3.31Å; L35-Y61 HydrophobicContact CB-CD1 4.3Å; L35-Y61 HydrophobicContact CB-CE1 4.39Å; L35-Y61 HydrophobicContact CD1-CD1 3.72Å; L35-Y61 HydrophobicContact CD1-CG 3.91Å; L35-Y61 HydrophobicContact CD2-CD1 4.01Å; L35-Y61 HydrophobicContact CD2-CE1 4.48Å; L35-Y61 HydrophobicContact CG-CD1 4.24Å; L35-L63 HydrophobicContact CD1-CD2 3.82Å
36Q95.7Very high93.5Very high172 Ų17256.8 Ų56.880%0.80431%0.306SS*.  trans-107.8135.9177-69.2-174.4-20.300110.5D38 Y61Q36-D38 PolarHBondContact O-N 3.49Å; Q36-Y61 PolarHBondContact O-OH 3.49Å
37F94.9Very high92.4Very high32 Ų3258.4 Ų58.414%0.1432%0.324CS..  trans-74.7115.9176.3-170-147.8000110.6T23 T26 L30 I41 K42 M45 L57T23-F37 HydrophobicContact CG2-CD1 4.07Å; T23-F37 HydrophobicContact CG2-CE1 4.25Å; T26-F37 HydrophobicContact CG2-CD1 3.93Å; T26-F37 HydrophobicContact CG2-CD2 3.64Å; T26-F37 HydrophobicContact CG2-CE1 3.91Å; T26-F37 HydrophobicContact CG2-CE2 3.62Å; T26-F37 HydrophobicContact CG2-CG 3.81Å; T26-F37 HydrophobicContact CG2-CZ 3.76Å; L30-F37 HydrophobicContact CD1-CB 3.8Å; L30-F37 HydrophobicContact CD1-CD2 3.94Å; L30-F37 HydrophobicContact CD1-CG 4.22Å; F37-I41 HydrophobicContact CD2-CG2 3.76Å; F37-I41 HydrophobicContact CE2-CG2 3.75Å; F37-K42 HydrophobicContact CE1-CB 4.21Å; F37-K42 HydrophobicContact CE1-CD 4.39Å; F37-K42 HydrophobicContact CE1-CG 4.35Å; F37-K42 HydrophobicContact CE2-CB 4.05Å; F37-K42 HydrophobicContact CZ-CB 3.57Å; F37-K42 HydrophobicContact CZ-CD 4.46Å; F37-K42 HydrophobicContact CZ-CG 3.93Å; F37-M45 HydrophobicContact CE2-SD 4.09Å; F37-M45 HydrophobicContact CZ-SD 4.37Å; F37-L57 HydrophobicContact CD2-CD1 4.34Å; F37-L57 HydrophobicContact CE2-CD1 4.13Å
38D91.1Very high91.7Very high67 Ų6761.3 Ų61.336%0.35833%0.33SS..  trans-97.1151.7-179.1175.546.3000112.4Q36 N40 I41 K42 Y61Q36-D38 PolarHBondContact O-N 3.49Å; D38-N40 VanDerWaalsContact C-N 3.35Å; D38-N40 PolarHBondContact O-N 3.05Å; D38-N40 WeakPolarHBondContact OD2-CB 3.03Å; D38-N40 PolarHBondContact OD2-N 3.47Å; D38-N40 VanDerWaalsContact OD2-N 3.07Å; D38-N40 PolarHBondContact OD2-ND2 3.26Å; D38-I41 HydrophobicContact CB-CG2 4.1Å; D38-I41 WeakPolarHBondContact O-CG2 3.2Å; D38-I41 PolarHBondContact O-N 3.24Å; D38-K42 PolarHBondContact O-N 2.86Å; D38-K42 VanDerWaalsContact O-N 3.11Å; D38-Y61 PolarHBondContact N-OH 3.08Å
39Y89.9Confident91Very high22 Ų2264.9 Ų64.99%0.08634%0.341CS..Hα-helixtrans-68-32.7177.3-179.1-111.3000112.7I41 K42 K43 D195 R197 E198Y39-I41 VanDerWaalsContact C-N 3.29Å; Y39-I41 PolarHBondContact O-N 3.39Å; Y39-K42 HydrophobicContact CD2-CB 4.34Å; Y39-K42 HydrophobicContact CD2-CD 4.16Å; Y39-K42 HydrophobicContact CE2-CD 4.4Å; Y39-K42 WeakPolarHBondContact O-CB 3.26Å; Y39-K42 PolarHBondContact O-N 2.85Å; Y39-K43 HydrophobicContact CE1-CD 4.42Å; Y39-K43 WeakPolarHBondContact O-CB 3.22Å; Y39-K43 PolarHBondContact O-N 2.92Å; Y39-D195 HydrophobicContact CE2-CB 3.57Å; Y39-R197 HydrophobicContact CD1-CB 3.78Å; Y39-R197 HydrophobicContact CD2-CB 3.81Å; Y39-R197 HydrophobicContact CE1-CB 4.14Å; Y39-R197 HydrophobicContact CE2-CB 4.17Å; Y39-R197 HydrophobicContact CG-CB 3.61Å; Y39-E198 HydrophobicContact CE1-CB 4.35Å; Y39-E198 WeakPolarHBondContact OH-CB 3.4Å; Y39-E198 PolarHBondContact OH-OE2 3.37Å; Y39-E198 VanDerWaalsContact OH-OE2 3.11Å
40N89.6Confident90.5Very high108 Ų10867.5 Ų67.558%0.57836%0.36SS*.Hα-helixtrans-65-36.7179.5-57.5-69000111.4D38 L44D38-N40 VanDerWaalsContact C-N 3.35Å; D38-N40 PolarHBondContact O-N 3.05Å; D38-N40 WeakPolarHBondContact OD2-CB 3.03Å; D38-N40 PolarHBondContact OD2-N 3.47Å; D38-N40 VanDerWaalsContact OD2-N 3.07Å; D38-N40 PolarHBondContact OD2-ND2 3.26Å; N40-L44 WeakPolarHBondContact O-CG 3.44Å; N40-L44 PolarHBondContact O-N 3.2Å
41I93.1Very high90.2Very high1 Ų171.1 Ų71.11%0.00538%0.377CS..Hα-helixtrans-72.6-40.9174.2-172.157.8000111.3F37 D38 Y39 K43 L44 M45 I56 L57 H60 Y61F37-I41 HydrophobicContact CD2-CG2 3.76Å; F37-I41 HydrophobicContact CE2-CG2 3.75Å; D38-I41 HydrophobicContact CB-CG2 4.1Å; D38-I41 WeakPolarHBondContact O-CG2 3.2Å; D38-I41 PolarHBondContact O-N 3.24Å; Y39-I41 VanDerWaalsContact C-N 3.29Å; Y39-I41 PolarHBondContact O-N 3.39Å; I41-K43 VanDerWaalsContact C-N 3.3Å; I41-K43 PolarHBondContact O-N 3.38Å; I41-L44 HydrophobicContact CD1-CD1 4.3Å; I41-L44 WeakPolarHBondContact O-CB 3.32Å; I41-L44 PolarHBondContact O-N 3.23Å; I41-M45 HydrophobicContact CG1-SD 4.28Å; I41-M45 WeakPolarHBondContact O-CG 3.34Å; I41-M45 PolarHBondContact O-N 3.13Å; I41-I56 HydrophobicContact CD1-CG2 3.55Å; I41-L57 HydrophobicContact CG1-CD1 4.02Å; I41-H60 HydrophobicContact CD1-CB 3.49Å; I41-H60 VanDerWaalsContact CD1-CB 3.49Å; I41-H60 HydrophobicContact CG1-CB 4.14Å; I41-Y61 HydrophobicContact CG1-CE2 4.17Å; I41-Y61 HydrophobicContact CG2-CE2 3.99Å; I41-Y61 WeakPolarHBondContact CG2-OH 3.42Å
42K92.2Very high89.9Confident9 Ų971.3 Ų71.34%0.03937%0.37CS..Hα-helixtrans-52.8-49.8172.7-178.1-179.2173.8177.90111E19 F37 D38 Y39 L44 M45 M46 D195E19-K42 WeakPolarHBondContact OE2-CE 3.29Å; E19-K42 IonicContact OE2-NZ 2.62Å; E19-K42 PolarHBondContact OE2-NZ 3.45Å; F37-K42 HydrophobicContact CE1-CB 4.21Å; F37-K42 HydrophobicContact CE1-CD 4.39Å; F37-K42 HydrophobicContact CE1-CG 4.35Å; F37-K42 HydrophobicContact CE2-CB 4.05Å; F37-K42 HydrophobicContact CZ-CB 3.57Å; F37-K42 HydrophobicContact CZ-CD 4.46Å; F37-K42 HydrophobicContact CZ-CG 3.93Å; D38-K42 PolarHBondContact O-N 2.86Å; D38-K42 VanDerWaalsContact O-N 3.11Å; Y39-K42 HydrophobicContact CD2-CB 4.34Å; Y39-K42 HydrophobicContact CD2-CD 4.16Å; Y39-K42 HydrophobicContact CE2-CD 4.4Å; Y39-K42 WeakPolarHBondContact O-CB 3.26Å; Y39-K42 PolarHBondContact O-N 2.85Å; K42-L44 PolarHBondContact O-N 3.48Å; K42-M45 WeakPolarHBondContact O-CA 3.39Å; K42-M45 WeakPolarHBondContact O-CB 3.28Å; K42-M45 PolarHBondContact O-N 3.03Å; K42-M46 HydrophobicContact CG-CG 4.29Å; K42-M46 HydrophobicContact CG-SD 4.34Å; K42-M46 WeakPolarHBondContact O-CG 3.49Å; K42-M46 PolarHBondContact O-N 2.88Å; K42-D195 IonicContact NZ-OD2 2.75Å; K42-D195 PolarHBondContact NZ-OD2 2.83Å
43K86.7Confident89.7Confident74 Ų7468.9 Ų68.932%0.32234%0.344SS..Hα-helixtrans-57.3-34.1178.8-178.5173.8-177.6164.30113.2Y39 I41 M45 E198Y39-K43 HydrophobicContact CE1-CD 4.42Å; Y39-K43 WeakPolarHBondContact O-CB 3.22Å; Y39-K43 PolarHBondContact O-N 2.92Å; I41-K43 VanDerWaalsContact C-N 3.3Å; I41-K43 PolarHBondContact O-N 3.38Å; K43-M45 VanDerWaalsContact C-N 3.31Å; K43-E198 WeakPolarHBondContact CD-OE2 3.3Å; K43-E198 WeakPolarHBondContact CE-OE2 3.35Å; K43-E198 IonicContact NZ-OE1 2.83Å; K43-E198 PolarHBondContact NZ-OE1 3.46Å; K43-E198 IonicContact NZ-OE2 2.72Å; K43-E198 PolarHBondContact NZ-OE2 3.42Å
44L86.6Confident89.7Confident90 Ų9064.8 Ų64.847%0.47133%0.328SS..Hα-helixtrans-73.5-23.7175.9-66.5173.9000112.9N40 I41 K42 R48 I56N40-L44 WeakPolarHBondContact O-CG 3.44Å; N40-L44 PolarHBondContact O-N 3.2Å; I41-L44 HydrophobicContact CD1-CD1 4.3Å; I41-L44 WeakPolarHBondContact O-CB 3.32Å; I41-L44 PolarHBondContact O-N 3.23Å; K42-L44 PolarHBondContact O-N 3.48Å; L44-R48 WeakPolarHBondContact O-CD 3.49Å; L44-R48 PolarHBondContact O-NE 3.42Å; L44-I56 HydrophobicContact CB-CG2 3.92Å; L44-I56 WeakPolarHBondContact O-CD1 3.15Å
45M89.9Confident89.7Confident22 Ų2262.1 Ų62.111%0.10831%0.31CS..Hα-helixtrans-87.6-30.5179.5-63.4166.666.700113.3F37 I41 K42 K43 R48 A53 I56 L57F37-M45 HydrophobicContact CE2-SD 4.09Å; F37-M45 HydrophobicContact CZ-SD 4.37Å; I41-M45 HydrophobicContact CG1-SD 4.28Å; I41-M45 WeakPolarHBondContact O-CG 3.34Å; I41-M45 PolarHBondContact O-N 3.13Å; K42-M45 WeakPolarHBondContact O-CA 3.39Å; K42-M45 WeakPolarHBondContact O-CB 3.28Å; K42-M45 PolarHBondContact O-N 3.03Å; K43-M45 VanDerWaalsContact C-N 3.31Å; M45-R48 WeakPolarHBondContact O-CB 3.38Å; M45-R48 PolarHBondContact O-N 3.04Å; M45-A53 HydrophobicContact CB-CB 3.99Å; M45-A53 HydrophobicContact CE-CB 4.28Å; M45-A53 HydrophobicContact CG-CB 4.37Å; M45-I56 HydrophobicContact CG-CB 4.43Å; M45-I56 HydrophobicContact CG-CG2 4.02Å; M45-L57 HydrophobicContact CE-CB 3.99Å; M45-L57 HydrophobicContact CE-CD1 4.31Å; M45-L57 HydrophobicContact CE-CD2 4.33Å; M45-L57 HydrophobicContact CE-CG 4.44Å; M45-L57 HydrophobicContact SD-CB 3.9Å; M45-L57 HydrophobicContact SD-CD1 3.75Å; M45-L57 HydrophobicContact SD-CG 4.34Å
46M83.5Confident89.6Confident19 Ų1961.6 Ų61.69%0.09431%0.307CS..THydrogen-bonded Turntrans-56.3140.1-174.8-73.4172.775.700113.1K42 R48 D175 N178K42-M46 HydrophobicContact CG-CG 4.29Å; K42-M46 HydrophobicContact CG-SD 4.34Å; K42-M46 WeakPolarHBondContact O-CG 3.49Å; K42-M46 PolarHBondContact O-N 2.88Å; M46-R48 PolarHBondContact O-N 3.39Å; M46-D175 WeakPolarHBondContact CE-OD2 3.45Å; M46-N178 PolarHBondContact O-ND2 2.94Å
47G74.4Confident89.7Confident39 Ų3953.4 Ų53.440%0.40227%0.269SS..THydrogen-bonded Turntrans67.514177.100000115.3N178G47-N178 PolarHBondContact O-ND2 3.4Å
48R81Confident89.8Confident98 Ų9852.4 Ų52.437%0.3727%0.265SS..SBendtrans-104165.2175.3-63.4-177.4-172.9-80-9.6111.6L44 M45 M46 E52 I56L44-R48 WeakPolarHBondContact O-CD 3.49Å; L44-R48 PolarHBondContact O-NE 3.42Å; M45-R48 WeakPolarHBondContact O-CB 3.38Å; M45-R48 PolarHBondContact O-N 3.04Å; M46-R48 PolarHBondContact O-N 3.39Å; R48-E52 HydrophobicContact CB-CB 4.38Å; R48-E52 HydrophobicContact CB-CG 4.46Å; R48-E52 IonicContact CZ-OE1 3.43Å; R48-E52 IonicContact NE-OE1 3.82Å; R48-E52 IonicContact NH1-OE1 3.06Å; R48-E52 PolarHBondContact NH1-OE1 3.26Å; R48-I56 VanDerWaalsContact NE-CD1 3.34Å
49K83.4Confident90Very high159 Ų15957.8 Ų57.869%0.69129%0.285SS*.  trans-63.5148.2171.5-68.2-173.6178.1-175.20110.2H51 E52 A53K49-H51 VanDerWaalsContact C-N 3.25Å; K49-H51 PolarHBondContact O-N 2.87Å; K49-H51 VanDerWaalsContact O-N 3.14Å; K49-E52 PolarHBondContact O-N 3.24Å; K49-E52 VanDerWaalsContact O-N 3.07Å; K49-A53 PolarHBondContact O-N 3.42Å
50P86.6Confident90.4Very high76 Ų7661.8 Ų61.849%0.49431%0.305SS..Hα-helixtrans-51.3-41.4-178.8-30.135.5000114.2A53 G54 I71P50-A53 PolarHBondContact O-N 3.31Å; P50-G54 PolarHBondContact O-N 3.04Å; P50-I71 HydrophobicContact CB-CG1 4.43Å
51H91.4Very high90.7Very high77 Ų7758.5 Ų58.536%0.35628%0.284SS..Hα-helixtrans-63.1-47.9179-172.8-76.8000112.2K49 G54 E55 D68 I71K49-H51 VanDerWaalsContact C-N 3.25Å; K49-H51 PolarHBondContact O-N 2.87Å; K49-H51 VanDerWaalsContact O-N 3.14Å; H51-G54 PolarHBondContact O-N 2.84Å; H51-E55 IonicContact CE1-OE1 3.51Å; H51-E55 PolarHBondContact CE1-OE1 2.88Å; H51-E55 IonicContact ND1-OE1 2.67Å; H51-E55 IonicContact ND1-OE2 3.79Å; H51-E55 WeakPolarHBondContact O-CG 3.18Å; H51-E55 PolarHBondContact O-N 2.78Å; H51-D68 IonicContact CD2-OD1 2.93Å; H51-D68 IonicContact NE2-OD1 2.68Å; H51-I71 VanDerWaalsContact CA-CD1 3.48Å; H51-I71 HydrophobicContact CB-CD1 3.79Å
52E91.2Very high90.8Very high73 Ų7365.5 Ų65.534%0.34132%0.322SS..Hα-helixtrans-66.1-40.7179.4-172.8-174178.400111.8R48 K49 G54 E55 I56R48-E52 HydrophobicContact CB-CB 4.38Å; R48-E52 HydrophobicContact CB-CG 4.46Å; R48-E52 IonicContact CZ-OE1 3.43Å; R48-E52 IonicContact NE-OE1 3.82Å; R48-E52 IonicContact NH1-OE1 3.06Å; R48-E52 PolarHBondContact NH1-OE1 3.26Å; K49-E52 PolarHBondContact O-N 3.24Å; K49-E52 VanDerWaalsContact O-N 3.07Å; E52-G54 VanDerWaalsContact C-N 3.32Å; E52-G54 PolarHBondContact O-N 2.78Å; E52-E55 PolarHBondContact O-N 2.85Å; E52-I56 HydrophobicContact CG-CD1 4.39Å; E52-I56 WeakPolarHBondContact O-CG1 3.31Å; E52-I56 PolarHBondContact O-N 2.96Å
53A91.8Very high91.1Very high13 Ų1366 Ų6611%0.10733%0.325CS..Hα-helixtrans-60.4-42.5173.300000111.6M45 K49 P50 I56 L57M45-A53 HydrophobicContact CB-CB 3.99Å; M45-A53 HydrophobicContact CE-CB 4.28Å; M45-A53 HydrophobicContact CG-CB 4.37Å; K49-A53 PolarHBondContact O-N 3.42Å; P50-A53 PolarHBondContact O-N 3.31Å; A53-I56 PolarHBondContact O-N 3.13Å; A53-L57 PolarHBondContact O-N 3.39Å; A53-L57 VanDerWaalsContact O-N 3.11Å
54G95.9Very high91.5Very high0 Ų067.6 Ų67.60%034%0.342CS..Hα-helixtrans-60.1-48.4173.400000112.6P50 H51 E52 I56 L57 L58P50-G54 PolarHBondContact O-N 3.04Å; H51-G54 PolarHBondContact O-N 2.84Å; E52-G54 VanDerWaalsContact C-N 3.32Å; E52-G54 PolarHBondContact O-N 2.78Å; G54-I56 VanDerWaalsContact C-N 3.32Å; G54-I56 PolarHBondContact O-N 3.02Å; G54-L57 PolarHBondContact O-N 3.21Å; G54-L58 WeakPolarHBondContact O-CB 3.45Å; G54-L58 WeakPolarHBondContact O-CD1 3.5Å; G54-L58 WeakPolarHBondContact O-CG 3.38Å; G54-L58 PolarHBondContact O-N 2.91Å
55E97Very high91.9Very high103 Ų10364.9 Ų64.948%0.48133%0.328SS..Hα-helixtrans-58-42.6177-71.9-178.2142.800112.4H51 E52 K59 A67H51-E55 IonicContact CE1-OE1 3.51Å; H51-E55 PolarHBondContact CE1-OE1 2.88Å; H51-E55 IonicContact ND1-OE1 2.67Å; H51-E55 IonicContact ND1-OE2 3.79Å; H51-E55 WeakPolarHBondContact O-CG 3.18Å; H51-E55 PolarHBondContact O-N 2.78Å; E52-E55 PolarHBondContact O-N 2.85Å; E55-K59 WeakPolarHBondContact O-CB 3.26Å; E55-K59 PolarHBondContact O-N 3.35Å; E55-A67 HydrophobicContact CG-CB 3.69Å
56I95.4Very high92.2Very high39 Ų3967.7 Ų67.720%0.234%0.344CS..Hα-helixtrans-61.2-48.7177.9-73.8169.2000110.9I41 L44 M45 R48 E52 A53 G54 H60I41-I56 HydrophobicContact CD1-CG2 3.55Å; L44-I56 HydrophobicContact CB-CG2 3.92Å; L44-I56 WeakPolarHBondContact O-CD1 3.15Å; M45-I56 HydrophobicContact CG-CB 4.43Å; M45-I56 HydrophobicContact CG-CG2 4.02Å; R48-I56 VanDerWaalsContact NE-CD1 3.34Å; E52-I56 HydrophobicContact CG-CD1 4.39Å; E52-I56 WeakPolarHBondContact O-CG1 3.31Å; E52-I56 PolarHBondContact O-N 2.96Å; A53-I56 PolarHBondContact O-N 3.13Å; G54-I56 VanDerWaalsContact C-N 3.32Å; G54-I56 PolarHBondContact O-N 3.02Å; I56-H60 VanDerWaalsContact O-CB 3.28Å; I56-H60 WeakPolarHBondContact O-CB 3.29Å; I56-H60 PolarHBondContact O-N 3.02Å
57L97.2Very high92.8Very high0 Ų067 Ų670%034%0.341CS..Hα-helixtrans-60.5-52.8179.1-176.176.1000111.3T26 F29 L30 F37 I41 M45 A53 G54 K59 H60 Y61 F70T26-L57 HydrophobicContact CG2-CD1 4.04Å; T26-L57 HydrophobicContact CG2-CD2 3.86Å; F29-L57 HydrophobicContact CD1-CD2 4.39Å; F29-L57 HydrophobicContact CE1-CD2 4.35Å; L30-L57 HydrophobicContact CD1-CD1 4.24Å; F37-L57 HydrophobicContact CD2-CD1 4.34Å; F37-L57 HydrophobicContact CE2-CD1 4.13Å; I41-L57 HydrophobicContact CG1-CD1 4.02Å; M45-L57 HydrophobicContact CE-CB 3.99Å; M45-L57 HydrophobicContact CE-CD1 4.31Å; M45-L57 HydrophobicContact CE-CD2 4.33Å; M45-L57 HydrophobicContact CE-CG 4.44Å; M45-L57 HydrophobicContact SD-CB 3.9Å; M45-L57 HydrophobicContact SD-CD1 3.75Å; M45-L57 HydrophobicContact SD-CG 4.34Å; A53-L57 PolarHBondContact O-N 3.39Å; A53-L57 VanDerWaalsContact O-N 3.11Å; G54-L57 PolarHBondContact O-N 3.21Å; L57-K59 VanDerWaalsContact C-N 3.34Å; L57-K59 PolarHBondContact O-N 2.91Å; L57-H60 PolarHBondContact O-N 3.28Å; L57-Y61 HydrophobicContact CD1-CD2 3.92Å; L57-Y61 HydrophobicContact CD1-CE2 3.74Å; L57-Y61 HydrophobicContact CG-CD2 4.34Å; L57-Y61 WeakPolarHBondContact O-CD2 3.44Å; L57-Y61 PolarHBondContact O-N 2.84Å; L57-Y61 VanDerWaalsContact O-N 3.17Å; L57-F70 HydrophobicContact CD2-CD2 4.23Å; L57-F70 HydrophobicContact CD2-CE1 4.37Å; L57-F70 HydrophobicContact CD2-CE2 3.42Å; L57-F70 VanDerWaalsContact CD2-CE2 3.42Å; L57-F70 HydrophobicContact CD2-CZ 3.5Å; L57-F70 VanDerWaalsContact CD2-CZ 3.5Å
58L97.5Very high93.9Very high11 Ų1170.1 Ų70.16%0.05835%0.349CS..Hα-helixtrans-62.1-42.3-176.6-66.7168.6000111.3F29 G54 N62 L63 L65 N66 A67 F70F29-L58 HydrophobicContact CE1-CD2 4.45Å; F29-L58 HydrophobicContact CZ-CD2 4.31Å; G54-L58 WeakPolarHBondContact O-CB 3.45Å; G54-L58 WeakPolarHBondContact O-CD1 3.5Å; G54-L58 WeakPolarHBondContact O-CG 3.38Å; G54-L58 PolarHBondContact O-N 2.91Å; L58-N62 WeakPolarHBondContact O-CA 3.15Å; L58-N62 PolarHBondContact O-N 3.46Å; L58-L63 HydrophobicContact CD2-CB 3.7Å; L58-L63 HydrophobicContact CD2-CD1 3.89Å; L58-L63 HydrophobicContact CD2-CG 4.42Å; L58-L63 PolarHBondContact O-N 3.48Å; L58-L65 HydrophobicContact CD2-CB 4.01Å; L58-N66 WeakPolarHBondContact CD1-O 3.43Å; L58-A67 HydrophobicContact CD1-CB 4.49Å; L58-F70 HydrophobicContact CD1-CB 3.96Å; L58-F70 HydrophobicContact CD2-CB 4.39Å; L58-F70 HydrophobicContact CG-CB 4.45Å
59K96.8Very high94.6Very high180 Ų18069.4 Ų69.478%0.78335%0.35SS*.Hα-helixtrans-65.7-42.7176.5-177.9178.9179.1179.10112.2E55 L57 Y61 N62E55-K59 WeakPolarHBondContact O-CB 3.26Å; E55-K59 PolarHBondContact O-N 3.35Å; L57-K59 VanDerWaalsContact C-N 3.34Å; L57-K59 PolarHBondContact O-N 2.91Å; K59-Y61 VanDerWaalsContact C-N 3.32Å; K59-Y61 PolarHBondContact O-N 2.83Å; K59-N62 PolarHBondContact O-N 2.81Å
60H96.5Very high95.3Very high107 Ų10762 Ų6250%0.49532%0.318SS..Hα-helixtrans-61.2-42.2-178.8-176.590.9000112I41 I56 L57I41-H60 HydrophobicContact CD1-CB 3.49Å; I41-H60 VanDerWaalsContact CD1-CB 3.49Å; I41-H60 HydrophobicContact CG1-CB 4.14Å; I56-H60 VanDerWaalsContact O-CB 3.28Å; I56-H60 WeakPolarHBondContact O-CB 3.29Å; I56-H60 PolarHBondContact O-N 3.02Å; L57-H60 PolarHBondContact O-N 3.28Å
61Y96.6Very high95.7Very high39 Ų3960.7 Ų60.715%0.15331%0.306CS..Hα-helixtrans-952.4-179.1-70.4-70.1000114.3L30 L35 Q36 D38 I41 L57 K59 L63L30-Y61 HydrophobicContact CD1-CD2 4.19Å; L30-Y61 HydrophobicContact CD1-CE2 3.63Å; L30-Y61 HydrophobicContact CD2-CD2 3.83Å; L30-Y61 HydrophobicContact CD2-CE2 4.15Å; L30-Y61 HydrophobicContact CD2-CG 4.21Å; L35-Y61 HydrophobicContact CB-CD1 4.3Å; L35-Y61 HydrophobicContact CB-CE1 4.39Å; L35-Y61 HydrophobicContact CD1-CD1 3.72Å; L35-Y61 HydrophobicContact CD1-CG 3.91Å; L35-Y61 HydrophobicContact CD2-CD1 4.01Å; L35-Y61 HydrophobicContact CD2-CE1 4.48Å; L35-Y61 HydrophobicContact CG-CD1 4.24Å; Q36-Y61 PolarHBondContact O-OH 3.49Å; D38-Y61 PolarHBondContact N-OH 3.08Å; I41-Y61 HydrophobicContact CG1-CE2 4.17Å; I41-Y61 HydrophobicContact CG2-CE2 3.99Å; I41-Y61 WeakPolarHBondContact CG2-OH 3.42Å; L57-Y61 HydrophobicContact CD1-CD2 3.92Å; L57-Y61 HydrophobicContact CD1-CE2 3.74Å; L57-Y61 HydrophobicContact CG-CD2 4.34Å; L57-Y61 WeakPolarHBondContact O-CD2 3.44Å; L57-Y61 PolarHBondContact O-N 2.84Å; L57-Y61 VanDerWaalsContact O-N 3.17Å; K59-Y61 VanDerWaalsContact C-N 3.32Å; K59-Y61 PolarHBondContact O-N 2.83Å; Y61-L63 VanDerWaalsContact C-N 3.33Å; Y61-L63 PolarHBondContact O-N 3.29Å
62N96.3Very high95.9Very high148 Ų14862.5 Ų62.579%0.79131%0.314SS*.THydrogen-bonded Turntrans51.548.4-177.7-168.749.6000113L58 K59L58-N62 WeakPolarHBondContact O-CA 3.15Å; L58-N62 PolarHBondContact O-N 3.46Å; K59-N62 PolarHBondContact O-N 2.81Å
63L96.9Very high96.2Very high19 Ų1963.2 Ų63.210%0.09932%0.316CS..  trans-82.3146.2-175.6-67177000112.2F29 L30 Y33 L35 L58 Y61 L65F29-L63 HydrophobicContact CE1-CD1 3.67Å; F29-L63 HydrophobicContact CZ-CD1 4.22Å; L30-L63 HydrophobicContact CD2-CD1 3.79Å; Y33-L63 HydrophobicContact CD1-CD2 3.76Å; Y33-L63 HydrophobicContact CD2-CD2 3.86Å; Y33-L63 HydrophobicContact CE1-CD2 4.13Å; Y33-L63 HydrophobicContact CE2-CD2 4.22Å; Y33-L63 HydrophobicContact CG-CD2 3.61Å; L35-L63 HydrophobicContact CD1-CD2 3.82Å; L58-L63 HydrophobicContact CD2-CB 3.7Å; L58-L63 HydrophobicContact CD2-CD1 3.89Å; L58-L63 HydrophobicContact CD2-CG 4.42Å; L58-L63 PolarHBondContact O-N 3.48Å; Y61-L63 VanDerWaalsContact C-N 3.33Å; Y61-L63 PolarHBondContact O-N 3.29Å; L63-L65 PolarHBondContact O-N 2.89Å
64P95.1Very high96.4Very high107 Ų10764.1 Ų64.170%0.69532%0.318SS*.SBendtrans-86.143.1-173.237.9-38.9000112.6Y33Y33-P64 HydrophobicContact CE1-CG 4.17Å
65L95Very high96.3Very high33 Ų3367.6 Ų67.617%0.17334%0.342CS..SBendtrans-135.7154.5-179.5-67160.4000108.9F29 Y33 L58 L63 E69F29-L65 HydrophobicContact CE2-CD1 3.81Å; F29-L65 HydrophobicContact CZ-CD1 3.62Å; Y33-L65 VanDerWaalsContact OH-CD1 3.22Å; Y33-L65 WeakPolarHBondContact OH-CD1 3.43Å; L58-L65 HydrophobicContact CD2-CB 4.01Å; L63-L65 PolarHBondContact O-N 2.89Å; L65-E69 VanDerWaalsContact CA-OE2 3.3Å; L65-E69 WeakPolarHBondContact CA-OE2 3.45Å; L65-E69 HydrophobicContact CB-CB 4.37Å; L65-E69 HydrophobicContact CD2-CB 3.92Å; L65-E69 HydrophobicContact CD2-CG 4.41Å
66N96.1Very high96.2Very high82 Ų8268.3 Ų68.344%0.43935%0.346SS..  trans-91.9171165.968.855000111.4L58 D68 E69 F70L58-N66 WeakPolarHBondContact CD1-O 3.43Å; N66-D68 VanDerWaalsContact C-N 3.33Å; N66-D68 PolarHBondContact O-N 2.97Å; N66-D68 WeakPolarHBondContact OD1-CA 3.45Å; N66-D68 WeakPolarHBondContact OD1-CB 3.39Å; N66-D68 PolarHBondContact OD1-N 3.4Å; N66-E69 PolarHBondContact N-OE2 3.26Å; N66-E69 PolarHBondContact ND2-OE2 2.95Å; N66-E69 PolarHBondContact O-N 3.36Å; N66-E69 PolarHBondContact OD1-N 2.95Å; N66-F70 PolarHBondContact O-N 3.39Å
67A96.2Very high96.2Very high5 Ų568.9 Ų68.94%0.04135%0.346CS..Hα-helixtrans-64.8-34.1-176.600000113.3E55 L58 F70 I71E55-A67 HydrophobicContact CG-CB 3.69Å; L58-A67 HydrophobicContact CD1-CB 4.49Å; A67-F70 PolarHBondContact O-N 2.93Å; A67-I71 WeakPolarHBondContact O-CB 3.41Å; A67-I71 WeakPolarHBondContact O-CD1 3.39Å; A67-I71 VanDerWaalsContact O-CG1 3.23Å; A67-I71 WeakPolarHBondContact O-CG1 3.3Å; A67-I71 PolarHBondContact O-N 3.08Å
68D97.4Very high96.1Very high104 Ų10469.8 Ų69.856%0.55635%0.35SS*.Hα-helixtrans-64.4-42.4177.1-65.5-33.8000111.3H51 N66 F70 I71 Q72H51-D68 IonicContact CD2-OD1 2.93Å; H51-D68 IonicContact NE2-OD1 2.68Å; N66-D68 VanDerWaalsContact C-N 3.33Å; N66-D68 PolarHBondContact O-N 2.97Å; N66-D68 WeakPolarHBondContact OD1-CA 3.45Å; N66-D68 WeakPolarHBondContact OD1-CB 3.39Å; N66-D68 PolarHBondContact OD1-N 3.4Å; D68-F70 VanDerWaalsContact C-N 3.32Å; D68-F70 PolarHBondContact O-N 3.46Å; D68-I71 PolarHBondContact O-N 3.19Å; D68-Q72 WeakPolarHBondContact O-CB 3.35Å; D68-Q72 PolarHBondContact O-N 3.48Å
69E97.4Very high95.9Very high83 Ų8371.5 Ų71.539%0.38836%0.361SS..Hα-helixtrans-64-38.1175.8-66.2172.4123.500111.9L65 N66 K73L65-E69 VanDerWaalsContact CA-OE2 3.3Å; L65-E69 WeakPolarHBondContact CA-OE2 3.45Å; L65-E69 HydrophobicContact CB-CB 4.37Å; L65-E69 HydrophobicContact CD2-CB 3.92Å; L65-E69 HydrophobicContact CD2-CG 4.41Å; N66-E69 PolarHBondContact N-OE2 3.26Å; N66-E69 PolarHBondContact ND2-OE2 2.95Å; N66-E69 PolarHBondContact O-N 3.36Å; N66-E69 PolarHBondContact OD1-N 2.95Å; E69-K73 WeakPolarHBondContact O-CG 3.43Å; E69-K73 PolarHBondContact O-N 3.22Å; E69-K73 VanDerWaalsContact O-N 3.08Å
70F97Very high95.6Very high4 Ų465 Ų652%0.01834%0.338CS..Hα-helixtrans-66.7-46.4175172.9-101.4000112.1F25 F29 L57 L58 N66 A67 D68 Q72 K73 Q74F25-F70 HydrophobicContact CE1-CD2 4.41Å; F25-F70 AromaticContact CE1-CE2 3.6Å; F25-F70 HydrophobicContact CE1-CE2 3.6Å; F25-F70 AromaticContact CE1-CZ 3.67Å; F25-F70 HydrophobicContact CE1-CZ 3.67Å; F25-F70 HydrophobicContact CZ-CD2 4.48Å; F25-F70 HydrophobicContact CZ-CE2 4.04Å; F25-F70 HydrophobicContact CZ-CZ 4.49Å; F29-F70 HydrophobicContact CD1-CD2 4.05Å; F29-F70 AromaticContact CD1-CE2 3.76Å; F29-F70 HydrophobicContact CD1-CE2 3.76Å; F29-F70 AromaticContact CE1-CD2 3.65Å; F29-F70 HydrophobicContact CE1-CD2 3.65Å; F29-F70 AromaticContact CE1-CE2 3.79Å; F29-F70 HydrophobicContact CE1-CE2 3.79Å; F29-F70 HydrophobicContact CE2-CD2 4.16Å; F29-F70 HydrophobicContact CG-CD2 4.45Å; F29-F70 HydrophobicContact CG-CE2 4.22Å; F29-F70 AromaticContact CZ-CD2 3.71Å; F29-F70 HydrophobicContact CZ-CD2 3.71Å; F29-F70 HydrophobicContact CZ-CE2 4.28Å; L57-F70 HydrophobicContact CD2-CD2 4.23Å; L57-F70 HydrophobicContact CD2-CE1 4.37Å; L57-F70 HydrophobicContact CD2-CE2 3.42Å; L57-F70 VanDerWaalsContact CD2-CE2 3.42Å; L57-F70 HydrophobicContact CD2-CZ 3.5Å; L57-F70 VanDerWaalsContact CD2-CZ 3.5Å; L58-F70 HydrophobicContact CD1-CB 3.96Å; L58-F70 HydrophobicContact CD2-CB 4.39Å; L58-F70 HydrophobicContact CG-CB 4.45Å; N66-F70 PolarHBondContact O-N 3.39Å; A67-F70 PolarHBondContact O-N 2.93Å; D68-F70 VanDerWaalsContact C-N 3.32Å; D68-F70 PolarHBondContact O-N 3.46Å; F70-Q72 VanDerWaalsContact C-N 3.29Å; F70-Q72 PolarHBondContact O-N 2.76Å; F70-K73 PolarHBondContact O-N 3.43Å; F70-Q74 PolarHBondContact O-N 3.01Å
71I95Very high95.4Very high48 Ų4865.5 Ų65.525%0.24634%0.34CS..Hα-helixtrans-60.7-41.9176.5-70.5161.8000110.3P50 H51 A67 D68 K73 Q74 S75P50-I71 HydrophobicContact CB-CG1 4.43Å; H51-I71 VanDerWaalsContact CA-CD1 3.48Å; H51-I71 HydrophobicContact CB-CD1 3.79Å; A67-I71 WeakPolarHBondContact O-CB 3.41Å; A67-I71 WeakPolarHBondContact O-CD1 3.39Å; A67-I71 VanDerWaalsContact O-CG1 3.23Å; A67-I71 WeakPolarHBondContact O-CG1 3.3Å; A67-I71 PolarHBondContact O-N 3.08Å; D68-I71 PolarHBondContact O-N 3.19Å; I71-K73 PolarHBondContact O-N 2.96Å; I71-Q74 WeakPolarHBondContact O-CB 3.41Å; I71-Q74 PolarHBondContact O-N 3.06Å; I71-S75 PolarHBondContact O-N 3Å; I71-S75 PolarHBondContact O-OG 3.36Å
72Q96.4Very high95.3Very high114 Ų11467.1 Ų67.153%0.53335%0.346SS..Hα-helixtrans-60.1-49.1176.8-179.7166.8-500111D68 F70 Q74 S75 E76D68-Q72 WeakPolarHBondContact O-CB 3.35Å; D68-Q72 PolarHBondContact O-N 3.48Å; F70-Q72 VanDerWaalsContact C-N 3.29Å; F70-Q72 PolarHBondContact O-N 2.76Å; Q72-Q74 VanDerWaalsContact C-N 3.27Å; Q72-Q74 PolarHBondContact O-N 2.55Å; Q72-S75 PolarHBondContact O-N 2.99Å; Q72-S75 VanDerWaalsContact O-N 3.13Å; Q72-S75 PolarHBondContact O-OG 3.34Å; Q72-E76 WeakPolarHBondContact CG-OE1 3.35Å; Q72-E76 PolarHBondContact NE2-OE1 2.9Å; Q72-E76 VanDerWaalsContact NE2-OE1 3.07Å; Q72-E76 WeakPolarHBondContact O-CG 3.46Å; Q72-E76 PolarHBondContact O-N 3.42Å
73K96.9Very high95.2Very high89 Ų8960.9 Ų60.939%0.38731%0.312SS..Hα-helixtrans-59.1-37.7175.1-73.8179.4179.9-58.90112.8F25 F29 E69 F70 I71 Y77F25-K73 HydrophobicContact CE2-CB 4.41Å; F25-K73 WeakPolarHBondContact CE2-O 3.48Å; F25-K73 HydrophobicContact CZ-CB 4.25Å; F29-K73 HydrophobicContact CD2-CD 4.2Å; F29-K73 HydrophobicContact CE2-CD 3.8Å; E69-K73 WeakPolarHBondContact O-CG 3.43Å; E69-K73 PolarHBondContact O-N 3.22Å; E69-K73 VanDerWaalsContact O-N 3.08Å; F70-K73 PolarHBondContact O-N 3.43Å; I71-K73 PolarHBondContact O-N 2.96Å; K73-Y77 WeakPolarHBondContact O-CB 3.26Å; K73-Y77 PolarHBondContact O-N 3.44Å
74Q95.8Very high95Very high32 Ų3263.5 Ų63.515%0.1532%0.323CS..Hα-helixtrans-64.4-45.7175.3-173.4174.988.900111.2F25 F70 I71 Q72 E76 Y77 I78F25-Q74 HydrophobicContact CD1-CB 4.07Å; F25-Q74 HydrophobicContact CD1-CG 3.74Å; F25-Q74 HydrophobicContact CE1-CB 3.44Å; F25-Q74 VanDerWaalsContact CE1-CB 3.44Å; F25-Q74 HydrophobicContact CE1-CG 3.63Å; F25-Q74 HydrophobicContact CE2-CB 4.25Å; F25-Q74 HydrophobicContact CG-CG 4.34Å; F25-Q74 HydrophobicContact CZ-CB 3.55Å; F25-Q74 HydrophobicContact CZ-CG 4.16Å; F70-Q74 PolarHBondContact O-N 3.01Å; I71-Q74 WeakPolarHBondContact O-CB 3.41Å; I71-Q74 PolarHBondContact O-N 3.06Å; Q72-Q74 VanDerWaalsContact C-N 3.27Å; Q72-Q74 PolarHBondContact O-N 2.55Å; Q74-E76 VanDerWaalsContact C-N 3.35Å; Q74-E76 PolarHBondContact O-N 2.94Å; Q74-Y77 PolarHBondContact O-N 3.21Å; Q74-I78 HydrophobicContact CG-CD1 3.57Å; Q74-I78 HydrophobicContact CG-CG1 4.14Å; Q74-I78 WeakPolarHBondContact O-CB 3.08Å; Q74-I78 WeakPolarHBondContact O-CG1 3.4Å; Q74-I78 PolarHBondContact O-N 3.45Å
75S93.4Very high94.9Very high72 Ų7262.3 Ų62.350%0.50332%0.318SS..Hα-helixtrans-66.5-34.3179.5710000113.2I71 Q72 Y77I71-S75 PolarHBondContact O-N 3Å; I71-S75 PolarHBondContact O-OG 3.36Å; Q72-S75 PolarHBondContact O-N 2.99Å; Q72-S75 VanDerWaalsContact O-N 3.13Å; Q72-S75 PolarHBondContact O-OG 3.34Å; S75-Y77 VanDerWaalsContact C-N 3.28Å; S75-Y77 PolarHBondContact O-N 3.46Å
76E95.8Very high94.9Very high119 Ų11961 Ų6156%0.55631%0.311SS*.Hα-helixtrans-67.8-30.8174.5-73170.5-174.200111.8Q72 Q74Q72-E76 WeakPolarHBondContact CG-OE1 3.35Å; Q72-E76 PolarHBondContact NE2-OE1 2.9Å; Q72-E76 VanDerWaalsContact NE2-OE1 3.07Å; Q72-E76 WeakPolarHBondContact O-CG 3.46Å; Q72-E76 PolarHBondContact O-N 3.42Å; Q74-E76 VanDerWaalsContact C-N 3.35Å; Q74-E76 PolarHBondContact O-N 2.94Å
77Y94.9Very high95Very high51 Ų5163.1 Ų63.120%0.232%0.318CS..Hα-helixtrans-86.9-45.1179.9-174.3-89.1000112.9E24 F25 N28 K73 Q74 S75 T79 R82E24-Y77 WeakPolarHBondContact CG-OH 3.17Å; E24-Y77 PolarHBondContact OE1-OH 3.27Å; F25-Y77 HydrophobicContact CB-CD1 3.59Å; F25-Y77 HydrophobicContact CB-CE1 3.69Å; F25-Y77 HydrophobicContact CB-CG 4.39Å; F25-Y77 AromaticContact CD2-CD1 3.62Å; F25-Y77 HydrophobicContact CD2-CD1 3.62Å; F25-Y77 HydrophobicContact CD2-CD2 4.22Å; F25-Y77 HydrophobicContact CD2-CE1 4.32Å; F25-Y77 AromaticContact CD2-CG 3.54Å; F25-Y77 HydrophobicContact CD2-CG 3.54Å; F25-Y77 HydrophobicContact CE2-CG 4.34Å; F25-Y77 AromaticContact CG-CD1 4Å; F25-Y77 HydrophobicContact CG-CD1 4Å; F25-Y77 HydrophobicContact CG-CG 4.37Å; N28-Y77 PolarHBondContact ND2-OH 2.94Å; K73-Y77 WeakPolarHBondContact O-CB 3.26Å; K73-Y77 PolarHBondContact O-N 3.44Å; Q74-Y77 PolarHBondContact O-N 3.21Å; S75-Y77 VanDerWaalsContact C-N 3.28Å; S75-Y77 PolarHBondContact O-N 3.46Å; Y77-T79 PolarHBondContact O-N 3.3Å; Y77-R82 WeakPolarHBondContact O-CD 3.34Å; Y77-R82 PolarHBondContact O-NE 2.88Å; Y77-R82 PolarHBondContact OH-NH1 3.23Å; Y77-R82 PolarHBondContact OH-NH2 3.4Å
78I94.4Very high95.1Very high18 Ų1864.4 Ų64.49%0.09233%0.327CS..SBendtrans-90.773.9-177.6-52.8-177.7000109.1I21 Y22 F25 Q74 W83I21-I78 HydrophobicContact CG2-CD1 4.25Å; I21-I78 HydrophobicContact CG2-CG1 4.15Å; I21-I78 HydrophobicContact CG2-CG2 4.09Å; Y22-I78 HydrophobicContact CD1-CD1 3.41Å; Y22-I78 VanDerWaalsContact CD1-CD1 3.41Å; Y22-I78 HydrophobicContact CE1-CD1 3.58Å; Y22-I78 HydrophobicContact CG-CD1 4.37Å; F25-I78 HydrophobicContact CB-CD1 4.27Å; F25-I78 HydrophobicContact CB-CG1 4.39Å; Q74-I78 HydrophobicContact CG-CD1 3.57Å; Q74-I78 HydrophobicContact CG-CG1 4.14Å; Q74-I78 WeakPolarHBondContact O-CB 3.08Å; Q74-I78 WeakPolarHBondContact O-CG1 3.4Å; Q74-I78 PolarHBondContact O-N 3.45Å; I78-W83 HydrophobicContact CG2-CH2 3.58Å; I78-W83 HydrophobicContact CG2-CZ2 3.18Å; I78-W83 HydrophobicContact CG2-CZ3 4.4Å
79T93.2Very high95.1Very high47 Ų4761.8 Ų61.829%0.28831%0.312SS..  trans-76.9160.1175.774.50000111.1Y77 E81 R82Y77-T79 PolarHBondContact O-N 3.3Å; T79-E81 WeakPolarHBondContact CB-OE2 3.35Å; T79-E81 PolarHBondContact O-N 3.48Å; T79-E81 VanDerWaalsContact O-N 3.15Å; T79-E81 PolarHBondContact OG1-OE2 3.3Å; T79-R82 WeakPolarHBondContact O-CB 3.26Å; T79-R82 PolarHBondContact O-N 3.49Å
80P91.2Very high95.1Very high45 Ų4561.7 Ų61.729%0.29232%0.319SS..G310 helixtrans-53.1-34.1177.1-29.137.1000114.6R82 W83 Q119P80-R82 VanDerWaalsContact C-N 3.26Å; P80-R82 PolarHBondContact O-N 2.72Å; P80-W83 WeakPolarHBondContact O-CB 3.44Å; P80-W83 PolarHBondContact O-N 3.31Å; P80-W83 VanDerWaalsContact O-N 3.11Å; P80-Q119 HydrophobicContact CB-CG 4.27Å
81E92.5Very high95.1Very high117 Ų11762 Ų6255%0.54732%0.324SS..G310 helixtrans-66.3-27.1179.6-5875.9-165.200112.5T79 W83 E84T79-E81 WeakPolarHBondContact CB-OE2 3.35Å; T79-E81 PolarHBondContact O-N 3.48Å; T79-E81 VanDerWaalsContact O-N 3.15Å; T79-E81 PolarHBondContact OG1-OE2 3.3Å; E81-W83 PolarHBondContact O-N 2.92Å; E81-E84 VanDerWaalsContact O-CB 3.29Å; E81-E84 WeakPolarHBondContact O-CB 3.44Å; E81-E84 PolarHBondContact O-N 3.02Å; E81-E84 VanDerWaalsContact O-N 3.09Å
82R94.5Very high95.3Very high73 Ų7359.8 Ų59.828%0.27531%0.312SS..G310 helixtrans-66.4-27.9174.2-74.8-163.4173-113.1-2.6112.3I21 E24 Y77 T79 P80 E84 S85I21-R82 WeakPolarHBondContact CD1-O 3.14Å; E24-R82 IonicContact OE1-NH1 3.69Å; E24-R82 PolarHBondContact OE1-NH1 3.44Å; E24-R82 IonicContact OE2-NH1 3.08Å; E24-R82 PolarHBondContact OE2-NH1 3.03Å; Y77-R82 WeakPolarHBondContact O-CD 3.34Å; Y77-R82 PolarHBondContact O-NE 2.88Å; Y77-R82 PolarHBondContact OH-NH1 3.23Å; Y77-R82 PolarHBondContact OH-NH2 3.4Å; T79-R82 WeakPolarHBondContact O-CB 3.26Å; T79-R82 PolarHBondContact O-N 3.49Å; P80-R82 VanDerWaalsContact C-N 3.26Å; P80-R82 PolarHBondContact O-N 2.72Å; R82-E84 PolarHBondContact O-N 2.83Å; R82-S85 PolarHBondContact O-N 2.98Å; R82-S85 PolarHBondContact O-OG 3.14Å
83W94.6Very high95.4Very high17 Ų1758.7 Ų58.76%0.06431%0.307CS..G310 helixtrans-69.2-19.6174.2-57.1127.5000112.4T18 I21 Y22 I78 P80 E81 S85 V86 K120T18-W83 HydrophobicContact CG2-CE3 4.06Å; T18-W83 HydrophobicContact CG2-CH2 4.49Å; T18-W83 HydrophobicContact CG2-CZ3 3.7Å; I21-W83 HydrophobicContact CB-CZ3 4.12Å; I21-W83 HydrophobicContact CD1-CE3 3.58Å; I21-W83 HydrophobicContact CD1-CZ3 3.67Å; I21-W83 HydrophobicContact CG1-CZ3 4.47Å; I21-W83 HydrophobicContact CG2-CH2 4.4Å; I21-W83 HydrophobicContact CG2-CZ3 4.15Å; Y22-W83 HydrophobicContact CE1-CH2 4.28Å; Y22-W83 AromaticContact CE2-CH2 3.83Å; Y22-W83 HydrophobicContact CE2-CH2 3.83Å; Y22-W83 AromaticContact CZ-CH2 3.68Å; I78-W83 HydrophobicContact CG2-CH2 3.58Å; I78-W83 HydrophobicContact CG2-CZ2 3.18Å; I78-W83 HydrophobicContact CG2-CZ3 4.4Å; P80-W83 WeakPolarHBondContact O-CB 3.44Å; P80-W83 PolarHBondContact O-N 3.31Å; P80-W83 VanDerWaalsContact O-N 3.11Å; E81-W83 PolarHBondContact O-N 2.92Å; W83-S85 PolarHBondContact O-N 3.16Å; W83-V86 WeakPolarHBondContact O-CB 3.37Å; W83-V86 WeakPolarHBondContact O-CG1 3.25Å; W83-V86 PolarHBondContact O-N 2.61Å; W83-K120 HydrophobicContact CD2-CG 3.73Å; W83-K120 HydrophobicContact CE3-CG 4.06Å; W83-K120 HydrophobicContact CG-CG 3.96Å; W83-K120 HydrophobicContact CZ2-CG 4.43Å
84E92.5Very high95.4Very high74 Ų7459.7 Ų59.735%0.34631%0.313SS..G310 helixtrans-66.8-24.4177.5-59.7-175.817600112.7E81 R82 K122 N123E81-E84 VanDerWaalsContact O-CB 3.29Å; E81-E84 WeakPolarHBondContact O-CB 3.44Å; E81-E84 PolarHBondContact O-N 3.02Å; E81-E84 VanDerWaalsContact O-N 3.09Å; R82-E84 PolarHBondContact O-N 2.83Å; E84-K122 HydrophobicContact CG-CD 4.38Å; E84-K122 IonicContact OE1-NZ 2.66Å; E84-K122 PolarHBondContact OE1-NZ 3.03Å; E84-N123 WeakPolarHBondContact CA-ND2 3.36Å; E84-N123 PolarHBondContact O-ND2 3.5Å
85S92Very high95.5Very high82 Ų8258.1 Ų58.157%0.57331%0.306SS*.G310 helixtrans-88.1-9.8176.465.20000113.8R82 W83 Q87R82-S85 PolarHBondContact O-N 2.98Å; R82-S85 PolarHBondContact O-OG 3.14Å; W83-S85 PolarHBondContact O-N 3.16Å; S85-Q87 PolarHBondContact O-N 2.96Å; S85-Q87 PolarHBondContact O-NE2 2.82Å
86V96.7Very high95.8Very high5 Ų554.7 Ų54.73%0.0328%0.282CS..PPolyproline II helixtrans-65.1132-17882.90000110.4L16 D17 T18 I21 W83 H124L16-V86 HydrophobicContact CB-CG1 4.47Å; L16-V86 HydrophobicContact CB-CG2 4.18Å; L16-V86 HydrophobicContact CD1-CG1 4.08Å; L16-V86 HydrophobicContact CD2-CG1 4.31Å; D17-V86 VanDerWaalsContact C-CG2 3.47Å; D17-V86 WeakPolarHBondContact O-CG2 3.26Å; T18-V86 HydrophobicContact CG2-CG2 4Å; I21-V86 HydrophobicContact CD1-CB 4.21Å; I21-V86 HydrophobicContact CD1-CG2 4.33Å; W83-V86 WeakPolarHBondContact O-CB 3.37Å; W83-V86 WeakPolarHBondContact O-CG1 3.25Å; W83-V86 PolarHBondContact O-N 2.61Å; V86-H124 PolarHBondContact O-CE1 3.18Å; V86-H124 VanDerWaalsContact O-CE1 3.3Å; V86-H124 PolarHBondContact O-NE2 3.21Å
87Q97.3Very high95.9Very high126 Ų12652.4 Ų52.459%0.58927%0.27SS*.PPolyproline II helixtrans-102.5158.2178-60-55.3-63.500110.7D17 S85D17-Q87 PolarHBondContact N-O 3.05Å; S85-Q87 PolarHBondContact O-N 2.96Å; S85-Q87 PolarHBondContact O-NE2 2.82Å
88C98.1Very high96.1Very high33 Ų3350.9 Ų50.922%0.22327%0.265CS..BIsolated β-bridgetrans-67.8144.1166.5-75.20000110.5I15 A92 I127I15-C88 CarbonylContact O-C 3.52Å; I15-C88 WeakPolarHBondContact O-CA 3.48Å; C88-A92 HydrophobicContact CB-CB 4.29Å; C88-I127 WeakPolarHBondContact SG-CD1 3.39Å
89L98Very high96.2Very high49 Ų4950 Ų5026%0.25726%0.26SS..PPolyproline II helixtrans-71.5155171.2-76.3167.9000111.1G13 L14 I15 D17 G91 A92G13-L89 VanDerWaalsContact C-CD1 3.44Å; G13-L89 WeakPolarHBondContact O-CD1 3.33Å; L14-L89 WeakPolarHBondContact O-CB 3.44Å; L14-L89 VanDerWaalsContact O-CD1 3.28Å; L14-L89 WeakPolarHBondContact O-CD1 3.49Å; I15-L89 PolarHBondContact O-N 2.8Å; D17-L89 HydrophobicContact CB-CD2 3.89Å; D17-L89 HydrophobicContact CB-CG 4.07Å; L89-G91 PolarHBondContact O-N 3.11Å; L89-A92 VanDerWaalsContact O-CB 3.28Å; L89-A92 WeakPolarHBondContact O-CB 3.4Å; L89-A92 PolarHBondContact O-N 2.86Å; L89-A92 VanDerWaalsContact O-N 3.08Å
90P97.5Very high96.5Very high80 Ų8049 Ų4952%0.51926%0.256SS..THydrogen-bonded Turntrans-54.5124.1-175.5-27.535.5000113.5A92 C220 M221 S222P90-A92 VanDerWaalsContact C-N 3.35Å; P90-C220 HydrophobicContact CB-CB 4.38Å; P90-M221 PolarHBondContact O-N 2.79Å; P90-S222 PolarHBondContact O-N 2.95Å
91G97.7Very high96.8Very high12 Ų1250.8 Ų50.812%0.12427%0.27CS..THydrogen-bonded Turntrans85.5-7178.300000115.5L89 L95 S222L89-G91 PolarHBondContact O-N 3.11Å; G91-L95 WeakPolarHBondContact O-CB 3.11Å; G91-L95 PolarHBondContact O-N 3.5Å; G91-S222 VanDerWaalsContact CA-OG 3.26Å; G91-S222 WeakPolarHBondContact CA-OG 3.1Å; G91-S222 PolarHBondContact N-OG 3.13Å
92A98.2Very high97.1Very high0 Ų048.5 Ų48.50%026%0.259CS..Hα-helixtrans-59.6-57.7-178.700000112.2I15 C88 L89 P90 L95 I96 M221I15-A92 HydrophobicContact CG2-CB 4.4Å; C88-A92 HydrophobicContact CB-CB 4.29Å; L89-A92 VanDerWaalsContact O-CB 3.28Å; L89-A92 WeakPolarHBondContact O-CB 3.4Å; L89-A92 PolarHBondContact O-N 2.86Å; L89-A92 VanDerWaalsContact O-N 3.08Å; P90-A92 VanDerWaalsContact C-N 3.35Å; A92-L95 PolarHBondContact O-N 2.98Å; A92-I96 VanDerWaalsContact O-CG1 3.29Å; A92-I96 WeakPolarHBondContact O-CG1 3.41Å; A92-I96 PolarHBondContact O-N 2.94Å; A92-I96 VanDerWaalsContact O-N 3.08Å; A92-M221 VanDerWaalsContact CA-CE 3.47Å; A92-M221 HydrophobicContact CB-CE 3.26Å; A92-M221 HydrophobicContact CB-SD 4.2Å
93E97.7Very high97.2Very high91 Ų9151.9 Ų51.943%0.42528%0.283SS..Hα-helixtrans-64.4-46.7-178-173.8176.5-134.500111.2L95 I96 F97 I127E93-L95 PolarHBondContact O-N 3.01Å; E93-I96 PolarHBondContact O-N 2.86Å; E93-F97 HydrophobicContact CG-CD2 3.74Å; E93-F97 HydrophobicContact CG-CE2 3.48Å; E93-F97 VanDerWaalsContact CG-CE2 3.48Å; E93-F97 HydrophobicContact CG-CZ 4.05Å; E93-F97 WeakPolarHBondContact O-CB 3.49Å; E93-F97 WeakPolarHBondContact O-CD2 3.32Å; E93-F97 PolarHBondContact O-N 3.49Å; E93-I127 HydrophobicContact CB-CD1 4.41Å; E93-I127 HydrophobicContact CG-CG1 4.43Å
94E97.8Very high97.4Very high110 Ų11052.4 Ų52.451%0.51429%0.287SS..Hα-helixtrans-56.4-47.5178.8-175.9179.4-173.900111.8F97 H98 F234E94-F97 PolarHBondContact O-N 2.92Å; E94-H98 WeakPolarHBondContact O-CB 2.92Å; E94-H98 PolarHBondContact O-N 3.23Å; E94-F234 HydrophobicContact CG-CE1 4.11Å
95L98.4Very high97.7Very high0 Ų051.3 Ų51.30%029%0.286CS..Hα-helixtrans-63.8-46.8178.4177.258.3000111.8F9 G91 A92 E93 F97 H98 L99 F173 M221 F224 F234F9-L95 HydrophobicContact CE1-CD2 3.93Å; F9-L95 HydrophobicContact CE1-CG 4.49Å; F9-L95 HydrophobicContact CZ-CD2 4.15Å; F9-L95 HydrophobicContact CZ-CG 4.29Å; G91-L95 WeakPolarHBondContact O-CB 3.11Å; G91-L95 PolarHBondContact O-N 3.5Å; A92-L95 PolarHBondContact O-N 2.98Å; E93-L95 PolarHBondContact O-N 3.01Å; L95-F97 VanDerWaalsContact C-N 3.35Å; L95-F97 PolarHBondContact O-N 2.99Å; L95-H98 PolarHBondContact O-N 3.41Å; L95-L99 HydrophobicContact CD1-CD1 3.82Å; L95-L99 HydrophobicContact CD1-CD2 4.44Å; L95-L99 HydrophobicContact CD1-CG 3.89Å; L95-L99 HydrophobicContact CG-CD1 4.02Å; L95-L99 HydrophobicContact CG-CG 4.45Å; L95-L99 WeakPolarHBondContact O-CB 3.28Å; L95-L99 VanDerWaalsContact O-CG 3.28Å; L95-L99 WeakPolarHBondContact O-CG 3.4Å; L95-L99 PolarHBondContact O-N 3.07Å; L95-F173 HydrophobicContact CD2-CD1 4.41Å; L95-F173 HydrophobicContact CD2-CE1 3.65Å; L95-F173 HydrophobicContact CD2-CE2 4.35Å; L95-F173 HydrophobicContact CD2-CZ 3.62Å; L95-M221 HydrophobicContact CD2-CB 4.43Å; L95-M221 HydrophobicContact CD2-CG 4.38Å; L95-M221 HydrophobicContact CD2-SD 4.2Å; L95-F224 HydrophobicContact CD1-CD1 3.65Å; L95-F224 HydrophobicContact CD1-CE1 3.96Å; L95-F224 HydrophobicContact CD2-CD1 3.92Å; L95-F224 HydrophobicContact CD2-CE1 4.48Å; L95-F224 HydrophobicContact CD2-CG 4.41Å; L95-F224 HydrophobicContact CG-CD1 4.47Å; L95-F234 HydrophobicContact CB-CZ 4.26Å; L95-F234 HydrophobicContact CD1-CE2 4.48Å; L95-F234 HydrophobicContact CD1-CZ 3.78Å
96I98.6Very high98Very high0 Ų047.5 Ų47.50%026%0.259CS..Hα-helixtrans-61.7-44.9179.8-70168.4000110.4F9 I15 A92 E93 L99 A100 M106 I127 K130F9-I96 HydrophobicContact CD2-CG1 4.44Å; F9-I96 HydrophobicContact CE1-CG1 4.41Å; F9-I96 HydrophobicContact CE2-CG1 4.04Å; F9-I96 HydrophobicContact CZ-CG1 4.03Å; I15-I96 HydrophobicContact CD1-CD1 3.77Å; I15-I96 HydrophobicContact CG1-CD1 4.16Å; A92-I96 VanDerWaalsContact O-CG1 3.29Å; A92-I96 WeakPolarHBondContact O-CG1 3.41Å; A92-I96 PolarHBondContact O-N 2.94Å; A92-I96 VanDerWaalsContact O-N 3.08Å; E93-I96 PolarHBondContact O-N 2.86Å; I96-L99 PolarHBondContact O-N 3.5Å; I96-A100 VanDerWaalsContact O-CB 3.31Å; I96-A100 WeakPolarHBondContact O-CB 3.28Å; I96-A100 PolarHBondContact O-N 3Å; I96-M106 HydrophobicContact CG2-CE 4.4Å; I96-M106 WeakPolarHBondContact O-CE 3.4Å; I96-I127 HydrophobicContact CD1-CD1 4.44Å; I96-I127 HydrophobicContact CD1-CG2 3.81Å; I96-I127 HydrophobicContact CG2-CG2 4.37Å; I96-K130 HydrophobicContact CG2-CB 3.74Å; I96-K130 HydrophobicContact CG2-CG 4.2Å
97F98.3Very high98.1Very high70 Ų7047.2 Ų47.231%0.30726%0.257SS..Hα-helixtrans-68-38.6-179.3-82.2-128.5000111.7E93 E94 L95 A100 S101 D126 I127 K130E93-F97 HydrophobicContact CG-CD2 3.74Å; E93-F97 HydrophobicContact CG-CE2 3.48Å; E93-F97 VanDerWaalsContact CG-CE2 3.48Å; E93-F97 HydrophobicContact CG-CZ 4.05Å; E93-F97 WeakPolarHBondContact O-CB 3.49Å; E93-F97 WeakPolarHBondContact O-CD2 3.32Å; E93-F97 PolarHBondContact O-N 3.49Å; E94-F97 PolarHBondContact O-N 2.92Å; L95-F97 VanDerWaalsContact C-N 3.35Å; L95-F97 PolarHBondContact O-N 2.99Å; F97-A100 PolarHBondContact O-N 2.64Å; F97-S101 PolarHBondContact O-N 2.9Å; F97-D126 HydrophobicContact CE2-CB 4.49Å; F97-D126 HydrophobicContact CZ-CB 3.73Å; F97-I127 HydrophobicContact CE2-CG1 4.07Å; F97-K130 HydrophobicContact CD2-CG 4.17Å; F97-K130 HydrophobicContact CE2-CG 4.21Å
98H98.2Very high98.2Very high19 Ų1941.2 Ų41.29%0.08823%0.229CC..Hα-helixtrans-62.9-46.5175.1174.867.5000112.5E94 L95 A100 S101 H102 P232 R233 F234E94-H98 WeakPolarHBondContact O-CB 2.92Å; E94-H98 PolarHBondContact O-N 3.23Å; L95-H98 PolarHBondContact O-N 3.41Å; H98-A100 VanDerWaalsContact C-N 3.32Å; H98-A100 PolarHBondContact O-N 3.11Å; H98-S101 PolarHBondContact O-N 2.72Å; H98-S101 PolarHBondContact O-OG 3.21Å; H98-H102 AromaticContact CE1-CE1 3.25Å; H98-H102 PolarHBondContact CE1-CE1 3.36Å; H98-H102 AromaticContact CE1-ND1 3.58Å; H98-H102 AromaticContact ND1-CE1 3.61Å; H98-H102 AromaticContact ND1-ND1 3.79Å; H98-H102 PolarHBondContact O-N 2.92Å; H98-H102 PolarHBondContact O-ND1 3.22Å; H98-P232 PolarHBondContact NE2-O 2.85Å; H98-R233 PolarHBondContact CE1-O 3.08Å; H98-R233 PolarHBondContact NE2-O 2.94Å; H98-F234 HydrophobicContact CB-CD1 3.94Å; H98-F234 HydrophobicContact CB-CE1 3.58Å; H98-F234 AromaticContact CD2-CD1 3.74Å; H98-F234 AromaticContact CD2-CE1 3.72Å; H98-F234 AromaticContact CG-CD1 3.54Å; H98-F234 AromaticContact CG-CE1 3.59Å; H98-F234 AromaticContact ND1-CD1 3.88Å
99L98.3Very high98.2Very high0 Ų039.7 Ų39.70%022%0.219CC..Hα-helixtrans-65.6-37.3176.8-69.3177.1000111.6V7 F9 L95 I96 H102 N103 I104 M106 L231V7-L99 HydrophobicContact CB-CD1 4.42Å; V7-L99 HydrophobicContact CG1-CD1 4.41Å; V7-L99 HydrophobicContact CG2-CD1 4.06Å; F9-L99 HydrophobicContact CE2-CD1 4.41Å; F9-L99 HydrophobicContact CZ-CD1 3.99Å; L95-L99 HydrophobicContact CD1-CD1 3.82Å; L95-L99 HydrophobicContact CD1-CD2 4.44Å; L95-L99 HydrophobicContact CD1-CG 3.89Å; L95-L99 HydrophobicContact CG-CD1 4.02Å; L95-L99 HydrophobicContact CG-CG 4.45Å; L95-L99 WeakPolarHBondContact O-CB 3.28Å; L95-L99 VanDerWaalsContact O-CG 3.28Å; L95-L99 WeakPolarHBondContact O-CG 3.4Å; L95-L99 PolarHBondContact O-N 3.07Å; I96-L99 PolarHBondContact O-N 3.5Å; L99-H102 CarbonylContact O-C 3.55Å; L99-H102 PolarHBondContact O-N 3.44Å; L99-N103 PolarHBondContact O-N 3.26Å; L99-I104 HydrophobicContact CB-CB 4.12Å; L99-I104 HydrophobicContact CB-CG1 4.45Å; L99-I104 HydrophobicContact CD2-CB 4.36Å; L99-I104 HydrophobicContact CD2-CG1 4.06Å; L99-I104 HydrophobicContact CD2-CG2 4.45Å; L99-I104 WeakPolarHBondContact O-CB 3.15Å; L99-I104 PolarHBondContact O-N 2.94Å; L99-M106 HydrophobicContact CB-CE 3.81Å; L99-M106 HydrophobicContact CB-CG 4.49Å; L99-M106 HydrophobicContact CB-SD 3.38Å; L99-M106 WeakPolarHBondContact CB-SD 3.36Å; L99-M106 HydrophobicContact CD1-SD 3.72Å; L99-M106 HydrophobicContact CG-SD 4.22Å; L99-L231 HydrophobicContact CD2-CB 4.44Å; L99-L231 HydrophobicContact CD2-CD1 4.1Å
100A98.2Very high98.1Very high25 Ų2537.3 Ų37.321%0.20721%0.207CC..Hα-helixtrans-64.7-41.217600000112.5I96 F97 H98 H102 N103 M106 K130I96-A100 VanDerWaalsContact O-CB 3.31Å; I96-A100 WeakPolarHBondContact O-CB 3.28Å; I96-A100 PolarHBondContact O-N 3Å; F97-A100 PolarHBondContact O-N 2.64Å; H98-A100 VanDerWaalsContact C-N 3.32Å; H98-A100 PolarHBondContact O-N 3.11Å; A100-H102 PolarHBondContact O-N 3.06Å; A100-N103 PolarHBondContact O-N 2.62Å; A100-M106 HydrophobicContact CB-CE 3.75Å; A100-K130 HydrophobicContact CB-CB 3.93Å; A100-K130 HydrophobicContact CB-CD 3.96Å; A100-K130 HydrophobicContact CB-CG 4.12Å
101S97.9Very high97.9Very high83 Ų8335.5 Ų35.558%0.5820%0.202SC*.Hα-helixtrans-63.4-23.3178.274.20000112.6F97 H98F97-S101 PolarHBondContact O-N 2.9Å; H98-S101 PolarHBondContact O-N 2.72Å; H98-S101 PolarHBondContact O-OG 3.21Å
102H98.1Very high97.7Very high70 Ų7035.4 Ų35.432%0.32420%0.199SC..THydrogen-bonded Turntrans-96.99.3174.9-66.282.7000114.1H98 L99 A100 I104 P232H98-H102 AromaticContact CE1-CE1 3.25Å; H98-H102 PolarHBondContact CE1-CE1 3.36Å; H98-H102 AromaticContact CE1-ND1 3.58Å; H98-H102 AromaticContact ND1-CE1 3.61Å; H98-H102 AromaticContact ND1-ND1 3.79Å; H98-H102 PolarHBondContact O-N 2.92Å; H98-H102 PolarHBondContact O-ND1 3.22Å; L99-H102 CarbonylContact O-C 3.55Å; L99-H102 PolarHBondContact O-N 3.44Å; A100-H102 PolarHBondContact O-N 3.06Å; H102-I104 HydrophobicContact CB-CG1 4.25Å; H102-I104 PolarHBondContact O-N 2.86Å; H102-P232 HydrophobicContact CB-CB 4.26Å; H102-P232 HydrophobicContact CB-CG 3.73Å; H102-P232 WeakPolarHBondContact CD2-CB 3.39Å
103N97.6Very high97.5Very high144 Ų14436.9 Ų36.977%0.7721%0.21SC*.THydrogen-bonded Turntrans5831.7-179.5-52-76.5000114L99 A100 P105L99-N103 PolarHBondContact O-N 3.26Å; A100-N103 PolarHBondContact O-N 2.62Å; N103-P105 VanDerWaalsContact O-CD 3.3Å; N103-P105 WeakPolarHBondContact O-CD 3.47Å
104I98.3Very high97.4Very high28 Ų2835.6 Ų35.614%0.14421%0.211CC..  trans-74.3121.6171.7-55.8-57.8000108.3V7 L99 H102 M106 L231 P232V7-I104 HydrophobicContact CG2-CG2 4.07Å; L99-I104 HydrophobicContact CB-CB 4.12Å; L99-I104 HydrophobicContact CB-CG1 4.45Å; L99-I104 HydrophobicContact CD2-CB 4.36Å; L99-I104 HydrophobicContact CD2-CG1 4.06Å; L99-I104 HydrophobicContact CD2-CG2 4.45Å; L99-I104 WeakPolarHBondContact O-CB 3.15Å; L99-I104 PolarHBondContact O-N 2.94Å; H102-I104 HydrophobicContact CB-CG1 4.25Å; H102-I104 PolarHBondContact O-N 2.86Å; I104-M106 WeakPolarHBondContact O-CG 3.49Å; I104-M106 PolarHBondContact O-N 2.84Å; I104-L231 HydrophobicContact CD1-CD2 4.01Å; I104-L231 HydrophobicContact CG1-CD2 4.24Å; I104-L231 HydrophobicContact CG2-CD2 4.04Å; I104-P232 HydrophobicContact CD1-CG 4.44Å
105P98.5Very high97.3Very high50 Ų5037.1 Ų37.133%0.32521%0.212SC..  trans-60.5129.2174.5-24.534.3000112.2T5 V7 N103 F160T5-P105 WeakPolarHBondContact O-CD 3.43Å; V7-P105 PolarHBondContact N-O 3.45Å; N103-P105 VanDerWaalsContact O-CD 3.3Å; N103-P105 WeakPolarHBondContact O-CD 3.47Å; P105-F160 HydrophobicContact CB-CD1 3.84Å; P105-F160 HydrophobicContact CB-CE1 3.83Å
106M98.7Very high97.1Very high2 Ų240.5 Ų40.51%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-135.7146.4-179-62.3176.8-75.800112.5V7 F9 I96 L99 A100 I104 V131 S132 F160V7-M106 HydrophobicContact CB-CG 4.12Å; V7-M106 WeakPolarHBondContact O-CA 3.4Å; F9-M106 HydrophobicContact CE2-CB 4.43Å; F9-M106 HydrophobicContact CE2-CG 4.18Å; F9-M106 HydrophobicContact CE2-SD 3.81Å; I96-M106 HydrophobicContact CG2-CE 4.4Å; I96-M106 WeakPolarHBondContact O-CE 3.4Å; L99-M106 HydrophobicContact CB-CE 3.81Å; L99-M106 HydrophobicContact CB-CG 4.49Å; L99-M106 HydrophobicContact CB-SD 3.38Å; L99-M106 WeakPolarHBondContact CB-SD 3.36Å; L99-M106 HydrophobicContact CD1-SD 3.72Å; L99-M106 HydrophobicContact CG-SD 4.22Å; A100-M106 HydrophobicContact CB-CE 3.75Å; I104-M106 WeakPolarHBondContact O-CG 3.49Å; I104-M106 PolarHBondContact O-N 2.84Å; M106-V131 HydrophobicContact CB-CG1 4.36Å; M106-V131 CarbonylContact O-C 3.5Å; M106-V131 WeakPolarHBondContact O-CA 3.45Å; M106-S132 PolarHBondContact O-N 3.09Å; M106-S132 PolarHBondContact O-OG 3.36Å; M106-S132 VanDerWaalsContact O-OG 3.05Å; M106-F160 VanDerWaalsContact C-CE1 3.48Å
107A98.8Very high97Very high0 Ų041 Ų410%023%0.231CC..EExtended strand (participates in β ladder)trans-140.7159.8175.400000111.5V7 I8 F9 H133 T156 F160V7-A107 PolarHBondContact O-N 3.5Å; V7-A107 VanDerWaalsContact O-N 3.13Å; I8-A107 WeakPolarHBondContact CA-O 3.38Å; F9-A107 PolarHBondContact N-O 2.94Å; A107-H133 WeakPolarHBondContact CA-O 3.41Å; A107-H133 WeakPolarHBondContact CB-O 3.12Å; A107-T156 HydrophobicContact CB-CG2 3.49Å; A107-T156 VanDerWaalsContact CB-CG2 3.49Å; A107-F160 HydrophobicContact CB-CE1 3.83Å; A107-F160 HydrophobicContact CB-CE2 4.27Å; A107-F160 HydrophobicContact CB-CZ 3.5Å
108L98.7Very high96.9Very high0 Ų041.1 Ų41.10%024%0.235CC..EExtended strand (participates in β ladder)trans-98.9141171.7-54.3-176.9000110.4F9 V11 I15 M128 V131 H133 S134 V135F9-L108 HydrophobicContact CB-CD2 4.05Å; F9-L108 CarbonylContact O-C 3.49Å; F9-L108 WeakPolarHBondContact O-CA 3.41Å; V11-L108 HydrophobicContact CG2-CB 4.02Å; V11-L108 HydrophobicContact CG2-CD1 4.06Å; V11-L108 HydrophobicContact CG2-CD2 4.32Å; V11-L108 HydrophobicContact CG2-CG 4.36Å; I15-L108 HydrophobicContact CD1-CD2 3.47Å; I15-L108 VanDerWaalsContact CD1-CD2 3.47Å; L108-M128 HydrophobicContact CD1-CE 4.44Å; L108-M128 HydrophobicContact CD1-SD 3.6Å; L108-M128 VanDerWaalsContact CD1-SD 3.6Å; L108-V131 HydrophobicContact CD1-CG2 4.38Å; L108-V131 HydrophobicContact CD2-CG1 3.96Å; L108-V131 HydrophobicContact CG-CB 4.44Å; L108-V131 HydrophobicContact CG-CG1 4.08Å; L108-V131 HydrophobicContact CG-CG2 4.18Å; L108-H133 PolarHBondContact N-O 2.92Å; L108-H133 VanDerWaalsContact N-O 3.09Å; L108-S134 CarbonylContact O-C 3.57Å; L108-S134 WeakPolarHBondContact O-CA 3.32Å; L108-V135 PolarHBondContact O-N 2.97Å
109A98.3Very high96.8Very high0 Ų041.8 Ų41.80%024%0.238CC..EExtended strand (participates in β ladder)trans-134.796.9176.500000109.9I8 F9 V135 I152 F153 T156I8-A109 HydrophobicContact CG2-CB 3.51Å; F9-A109 PolarHBondContact O-N 3.46Å; A109-V135 WeakPolarHBondContact CA-O 3.27Å; A109-I152 HydrophobicContact CB-CD1 4.01Å; A109-I152 HydrophobicContact CB-CG1 4.08Å; A109-F153 HydrophobicContact CB-CD1 4.06Å; A109-F153 HydrophobicContact CB-CE1 3.89Å; A109-T156 HydrophobicContact CB-CG2 4.32Å
110T96.6Very high96.8Very high0 Ų041.9 Ų41.90%024%0.238CC..EExtended strand (participates in β ladder)trans-113.9150.4-173.8-178.80000113.3C112 L117 V135 C136 S137 I152T110-C112 VanDerWaalsContact C-N 3.34Å; T110-C112 VanDerWaalsContact CG2-SG 3.53Å; T110-C112 PolarHBondContact OG1-N 2.8Å; T110-C112 PolarHBondContact OG1-SG 3.07Å; T110-L117 HydrophobicContact CG2-CB 4.44Å; T110-L117 HydrophobicContact CG2-CD1 4.21Å; T110-L117 HydrophobicContact CG2-CD2 4.13Å; T110-L117 HydrophobicContact CG2-CG 4.49Å; T110-V135 PolarHBondContact N-O 3.38Å; T110-C136 HydrophobicContact CG2-CB 4.23Å; T110-S137 PolarHBondContact O-N 2.93Å; T110-S137 PolarHBondContact O-OG 2.66Å; T110-I152 VanDerWaalsContact O-CD1 3.28Å; T110-I152 WeakPolarHBondContact O-CD1 3.46Å
111G93Very high96.7Very high41 Ų4140.8 Ų40.842%0.42323%0.229SC..SBendtrans-68.4-27.5174.300000114.5S137 G138G111-S137 VanDerWaalsContact CA-OG 3.31Å; G111-S137 WeakPolarHBondContact CA-OG 3.47Å; G111-S137 PolarHBondContact O-OG 3.23Å; G111-G138 PolarHBondContact O-N 2.92Å
112C92.4Very high96.6Very high10 Ų1041.5 Ų41.57%0.06822%0.222CC..SBendtrans-76174.1-173.872.20000112.8T110 E116 C136 G138T110-C112 VanDerWaalsContact C-N 3.34Å; T110-C112 VanDerWaalsContact CG2-SG 3.53Å; T110-C112 PolarHBondContact OG1-N 2.8Å; T110-C112 PolarHBondContact OG1-SG 3.07Å; C112-E116 HydrophobicContact CB-CB 3.91Å; C112-E116 WeakPolarHBondContact CB-OE2 3.28Å; C112-C136 CarbonylContact O-C 3.52Å; C112-C136 WeakPolarHBondContact O-CB 2.83Å; C112-G138 PolarHBondContact O-N 3.03Å; C112-G138 VanDerWaalsContact O-N 3.08Å
113C94.4Very high96.5Very high32 Ų3242.7 Ų42.722%0.21623%0.23CC..  trans-82161.117069.10000111.5Y115 E116 L117 D139C113-Y115 PolarHBondContact O-N 2.85Å; C113-E116 PolarHBondContact N-OE2 3.49Å; C113-E116 PolarHBondContact O-N 3.11Å; C113-E116 VanDerWaalsContact O-N 3.08Å; C113-E116 VanDerWaalsContact SG-CG 3.56Å; C113-E116 PolarHBondContact SG-OE2 3.35Å; C113-L117 PolarHBondContact O-N 2.72Å; C113-D139 HydrophobicContact CB-CB 4.09Å
114S96.5Very high96.5Very high64 Ų6436.8 Ų36.845%0.44820%0.198SC..Hα-helixtrans-58.1-33.8-177.563.70000113.9L117 D118 D139S114-L117 PolarHBondContact O-N 2.87Å; S114-D118 PolarHBondContact O-N 2.87Å; S114-D139 VanDerWaalsContact CB-OD2 3.27Å; S114-D139 WeakPolarHBondContact CB-OD2 3.4Å; S114-D139 VanDerWaalsContact N-CG 3.31Å; S114-D139 PolarHBondContact N-OD1 3.35Å; S114-D139 PolarHBondContact N-OD2 3.24Å; S114-D139 PolarHBondContact OG-OD2 2.86Å
115Y95.6Very high96.3Very high141 Ų14141.6 Ų41.655%0.55321%0.214SC*.Hα-helixtrans-63.2-46.5174.7173.8-101.5000111.9C113 L117 D118 Q119C113-Y115 PolarHBondContact O-N 2.85Å; Y115-L117 VanDerWaalsContact C-N 3.35Å; Y115-D118 PolarHBondContact O-N 3.11Å; Y115-Q119 HydrophobicContact CE1-CG 4.1Å; Y115-Q119 HydrophobicContact CE2-CG 4.28Å; Y115-Q119 WeakPolarHBondContact O-CG 3.35Å; Y115-Q119 PolarHBondContact O-N 3.26Å; Y115-Q119 VanDerWaalsContact O-N 3.12Å
116E94.2Very high96.3Very high72 Ų7244.1 Ų44.134%0.33623%0.225SC..Hα-helixtrans-64.7-39.7177.7-71.4171.6128.200111.5C112 C113 D118 Q119 K120C112-E116 HydrophobicContact CB-CB 3.91Å; C112-E116 WeakPolarHBondContact CB-OE2 3.28Å; C113-E116 PolarHBondContact N-OE2 3.49Å; C113-E116 PolarHBondContact O-N 3.11Å; C113-E116 VanDerWaalsContact O-N 3.08Å; C113-E116 VanDerWaalsContact SG-CG 3.56Å; C113-E116 PolarHBondContact SG-OE2 3.35Å; E116-D118 VanDerWaalsContact C-N 3.35Å; E116-D118 PolarHBondContact O-N 2.96Å; E116-Q119 PolarHBondContact O-N 2.66Å; E116-K120 WeakPolarHBondContact O-CB 3.35Å; E116-K120 VanDerWaalsContact O-CG 3.27Å; E116-K120 WeakPolarHBondContact O-CG 3.35Å; E116-K120 PolarHBondContact O-N 3.18Å
117L96.7Very high96.2Very high9 Ų944 Ų445%0.04723%0.225CC..Hα-helixtrans-59.5-44.9174.8-179.663.4000111.5V11 T110 C113 S114 Y115 Q119 K120 M121 C136V11-L117 HydrophobicContact CB-CD1 4.43Å; V11-L117 HydrophobicContact CG1-CD1 4Å; V11-L117 HydrophobicContact CG2-CD1 4.04Å; T110-L117 HydrophobicContact CG2-CB 4.44Å; T110-L117 HydrophobicContact CG2-CD1 4.21Å; T110-L117 HydrophobicContact CG2-CD2 4.13Å; T110-L117 HydrophobicContact CG2-CG 4.49Å; C113-L117 PolarHBondContact O-N 2.72Å; S114-L117 PolarHBondContact O-N 2.87Å; Y115-L117 VanDerWaalsContact C-N 3.35Å; L117-Q119 PolarHBondContact O-N 2.78Å; L117-K120 PolarHBondContact O-N 3.43Å; L117-M121 HydrophobicContact CD1-CG 3.65Å; L117-M121 HydrophobicContact CG-CG 4.24Å; L117-M121 WeakPolarHBondContact O-CB 3.27Å; L117-M121 WeakPolarHBondContact O-CG 3.24Å; L117-M121 PolarHBondContact O-N 3.05Å; L117-C136 WeakPolarHBondContact CD2-SG 3.34Å
118D96.6Very high96.2Very high74 Ų7446.6 Ų46.640%0.39624%0.238SC..Hα-helixtrans-63.4-40.5179.2-175.269.6000112.1S114 Y115 E116 K122 R125S114-D118 PolarHBondContact O-N 2.87Å; Y115-D118 PolarHBondContact O-N 3.11Å; E116-D118 VanDerWaalsContact C-N 3.35Å; E116-D118 PolarHBondContact O-N 2.96Å; D118-K122 PolarHBondContact O-N 3Å; D118-R125 IonicContact OD1-CZ 3.93Å; D118-R125 IonicContact OD1-NH1 3.21Å; D118-R125 PolarHBondContact OD1-NH1 3.22Å
119Q96.1Very high96.1Very high33 Ų3351.1 Ų51.115%0.15427%0.265CS..Hα-helixtrans-63.9-45.4174.5-61.3-46.9-62.500111.7P80 Y115 E116 L117 M121 K122P80-Q119 HydrophobicContact CB-CG 4.27Å; Y115-Q119 HydrophobicContact CE1-CG 4.1Å; Y115-Q119 HydrophobicContact CE2-CG 4.28Å; Y115-Q119 WeakPolarHBondContact O-CG 3.35Å; Y115-Q119 PolarHBondContact O-N 3.26Å; Y115-Q119 VanDerWaalsContact O-N 3.12Å; E116-Q119 PolarHBondContact O-N 2.66Å; L117-Q119 PolarHBondContact O-N 2.78Å; Q119-M121 PolarHBondContact O-N 3.41Å; Q119-K122 WeakPolarHBondContact O-CB 3.34Å; Q119-K122 PolarHBondContact O-N 2.64Å
120K97Very high96.1Very high2 Ų255 Ų551%0.00928%0.282CS..Hα-helixtrans-63.8-39.2179.5-72.4172.2-179.8-171.10112.9D12 L16 T18 Y22 W83 E116 L117 K122D12-K120 WeakPolarHBondContact OD1-CE 3.41Å; D12-K120 IonicContact OD1-NZ 2.65Å; D12-K120 PolarHBondContact OD1-NZ 3.14Å; D12-K120 IonicContact OD2-NZ 3.62Å; D12-K120 PolarHBondContact OD2-NZ 3.12Å; L16-K120 HydrophobicContact CD1-CB 3.85Å; L16-K120 WeakPolarHBondContact CD1-O 3.43Å; T18-K120 HydrophobicContact CG2-CD 4.18Å; T18-K120 HydrophobicContact CG2-CG 4.41Å; Y22-K120 PolarHBondContact OH-NZ 3.46Å; W83-K120 HydrophobicContact CD2-CG 3.73Å; W83-K120 HydrophobicContact CE3-CG 4.06Å; W83-K120 HydrophobicContact CG-CG 3.96Å; W83-K120 HydrophobicContact CZ2-CG 4.43Å; E116-K120 WeakPolarHBondContact O-CB 3.35Å; E116-K120 VanDerWaalsContact O-CG 3.27Å; E116-K120 WeakPolarHBondContact O-CG 3.35Å; E116-K120 PolarHBondContact O-N 3.18Å; L117-K120 PolarHBondContact O-N 3.43Å; K120-K122 VanDerWaalsContact C-N 3.34Å
121M97Very high96.2Very high2 Ų255.9 Ų55.91%0.0129%0.287CS..THydrogen-bonded Turntrans-88.85-177.7-65.1-61.9-66.600113.7V11 L16 L117 Q119 N123 H124 R125 I127 M128V11-M121 HydrophobicContact CG1-SD 4.18Å; L16-M121 HydrophobicContact CD1-SD 3.64Å; L16-M121 HydrophobicContact CD2-SD 4.28Å; L16-M121 HydrophobicContact CG-SD 4.07Å; L117-M121 HydrophobicContact CD1-CG 3.65Å; L117-M121 HydrophobicContact CG-CG 4.24Å; L117-M121 WeakPolarHBondContact O-CB 3.27Å; L117-M121 WeakPolarHBondContact O-CG 3.24Å; L117-M121 PolarHBondContact O-N 3.05Å; Q119-M121 PolarHBondContact O-N 3.41Å; M121-N123 VanDerWaalsContact C-N 3.28Å; M121-N123 PolarHBondContact O-N 3.23Å; M121-H124 HydrophobicContact CE-CB 3.79Å; M121-H124 CarbonylContact O-C 3.33Å; M121-H124 PolarHBondContact O-N 2.93Å; M121-H124 HydrophobicContact SD-CB 4.27Å; M121-R125 WeakPolarHBondContact O-CD 3.49Å; M121-R125 PolarHBondContact O-N 3.42Å; M121-I127 HydrophobicContact CE-CB 3.89Å; M121-I127 HydrophobicContact CE-CG2 3.71Å; M121-M128 HydrophobicContact CB-CG 4.05Å; M121-M128 HydrophobicContact CB-SD 4.16Å; M121-M128 HydrophobicContact CE-CG 3.83Å; M121-M128 HydrophobicContact CE-SD 3.7Å; M121-M128 HydrophobicContact CG-CG 4.4Å; M121-M128 HydrophobicContact CG-SD 3.91Å
122K96Very high96.4Very high98 Ų9857.4 Ų57.443%0.42629%0.291SS..THydrogen-bonded Turntrans-54.1-40.8-173.9-175.4179.7177.1-173.40113.6E84 D118 Q119 K120 R125E84-K122 HydrophobicContact CG-CD 4.38Å; E84-K122 IonicContact OE1-NZ 2.66Å; E84-K122 PolarHBondContact OE1-NZ 3.03Å; D118-K122 PolarHBondContact O-N 3Å; Q119-K122 WeakPolarHBondContact O-CB 3.34Å; Q119-K122 PolarHBondContact O-N 2.64Å; K120-K122 VanDerWaalsContact C-N 3.34Å; K122-R125 VanDerWaalsContact O-CG 3.3Å; K122-R125 WeakPolarHBondContact O-CG 3.46Å
123N96Very high96.7Very high94 Ų9458.7 Ų58.750%0.50330%0.296SS..THydrogen-bonded Turntrans-94.93.7178.1-73.6-10.1000113.8E84 M121E84-N123 WeakPolarHBondContact CA-ND2 3.36Å; E84-N123 PolarHBondContact O-ND2 3.5Å; M121-N123 VanDerWaalsContact C-N 3.28Å; M121-N123 PolarHBondContact O-N 3.23Å
124H96.6Very high96.9Very high21 Ų2158.9 Ų58.910%0.09730%0.298CS..  trans-122.132-175.5-56.2-70.4000111.2L16 V86 M121 D126 I127L16-H124 HydrophobicContact CD2-CB 4.45Å; L16-H124 WeakPolarHBondContact CD2-CD2 3.38Å; V86-H124 PolarHBondContact O-CE1 3.18Å; V86-H124 VanDerWaalsContact O-CE1 3.3Å; V86-H124 PolarHBondContact O-NE2 3.21Å; M121-H124 HydrophobicContact CE-CB 3.79Å; M121-H124 CarbonylContact O-C 3.33Å; M121-H124 PolarHBondContact O-N 2.93Å; M121-H124 HydrophobicContact SD-CB 4.27Å; H124-D126 PolarHBondContact O-N 2.8Å; H124-I127 HydrophobicContact CB-CD1 4.45Å; H124-I127 WeakPolarHBondContact O-CB 3.15Å; H124-I127 PolarHBondContact O-N 3.3Å
125R95.6Very high96.9Very high128 Ų12855.8 Ų55.848%0.48328%0.277SS..Hα-helixtrans-62.4-27.9-174.1-59-59.5-70.1-148.30.1112.8D118 M121 K122 I127 M128 T129D118-R125 IonicContact OD1-CZ 3.93Å; D118-R125 IonicContact OD1-NH1 3.21Å; D118-R125 PolarHBondContact OD1-NH1 3.22Å; M121-R125 WeakPolarHBondContact O-CD 3.49Å; M121-R125 PolarHBondContact O-N 3.42Å; K122-R125 VanDerWaalsContact O-CG 3.3Å; K122-R125 WeakPolarHBondContact O-CG 3.46Å; R125-I127 VanDerWaalsContact C-N 3.29Å; R125-I127 PolarHBondContact O-N 3.05Å; R125-M128 WeakPolarHBondContact O-CA 3.39Å; R125-M128 WeakPolarHBondContact O-CB 3.39Å; R125-M128 PolarHBondContact O-N 3.19Å; R125-T129 WeakPolarHBondContact O-CG2 3.38Å; R125-T129 PolarHBondContact O-N 3.2Å; R125-T129 VanDerWaalsContact O-N 3.12Å
126D97.4Very high97Very high103 Ų10349.5 Ų49.555%0.55125%0.253SS*.Hα-helixtrans-63.2-37.7178.9-70-18000111.5F97 H124 M128 T129 K130F97-D126 HydrophobicContact CE2-CB 4.49Å; F97-D126 HydrophobicContact CZ-CB 3.73Å; H124-D126 PolarHBondContact O-N 2.8Å; D126-M128 VanDerWaalsContact C-N 3.33Å; D126-M128 PolarHBondContact O-N 2.96Å; D126-T129 PolarHBondContact O-N 3.15Å; D126-T129 VanDerWaalsContact O-N 3.14Å; D126-T129 PolarHBondContact O-OG1 2.59Å; D126-K130 WeakPolarHBondContact O-CG 3.35Å
127I97.8Very high97.1Very high1 Ų147.3 Ų47.31%0.00525%0.246CC..Hα-helixtrans-59.7-44.1170.8-69.4174.5000110.7I15 C88 E93 I96 F97 M121 H124 R125 T129 K130 V131I15-I127 HydrophobicContact CG2-CD1 3.96Å; C88-I127 WeakPolarHBondContact SG-CD1 3.39Å; E93-I127 HydrophobicContact CB-CD1 4.41Å; E93-I127 HydrophobicContact CG-CG1 4.43Å; I96-I127 HydrophobicContact CD1-CD1 4.44Å; I96-I127 HydrophobicContact CD1-CG2 3.81Å; I96-I127 HydrophobicContact CG2-CG2 4.37Å; F97-I127 HydrophobicContact CE2-CG1 4.07Å; M121-I127 HydrophobicContact CE-CB 3.89Å; M121-I127 HydrophobicContact CE-CG2 3.71Å; H124-I127 HydrophobicContact CB-CD1 4.45Å; H124-I127 WeakPolarHBondContact O-CB 3.15Å; H124-I127 PolarHBondContact O-N 3.3Å; R125-I127 VanDerWaalsContact C-N 3.29Å; R125-I127 PolarHBondContact O-N 3.05Å; I127-T129 PolarHBondContact O-N 2.91Å; I127-K130 WeakPolarHBondContact O-CB 3.47Å; I127-K130 PolarHBondContact O-N 2.65Å; I127-V131 PolarHBondContact O-N 3.22Å
128M96.8Very high96.9Very high54 Ų5449.3 Ų49.327%0.26627%0.269SS..Hα-helixtrans-61.4-26.2178.6-63.3-62-65.200112.6L108 M121 R125 D126 K130L108-M128 HydrophobicContact CD1-CE 4.44Å; L108-M128 HydrophobicContact CD1-SD 3.6Å; L108-M128 VanDerWaalsContact CD1-SD 3.6Å; M121-M128 HydrophobicContact CB-CG 4.05Å; M121-M128 HydrophobicContact CB-SD 4.16Å; M121-M128 HydrophobicContact CE-CG 3.83Å; M121-M128 HydrophobicContact CE-SD 3.7Å; M121-M128 HydrophobicContact CG-CG 4.4Å; M121-M128 HydrophobicContact CG-SD 3.91Å; R125-M128 WeakPolarHBondContact O-CA 3.39Å; R125-M128 WeakPolarHBondContact O-CB 3.39Å; R125-M128 PolarHBondContact O-N 3.19Å; D126-M128 VanDerWaalsContact C-N 3.33Å; D126-M128 PolarHBondContact O-N 2.96Å; M128-K130 VanDerWaalsContact C-N 3.28Å; M128-K130 PolarHBondContact O-N 2.78Å
129T97.5Very high96.8Very high95 Ų9549.5 Ų49.558%0.58327%0.27SS*.THydrogen-bonded Turntrans-75.5-14.5174.275.40000114R125 D126 I127R125-T129 WeakPolarHBondContact O-CG2 3.38Å; R125-T129 PolarHBondContact O-N 3.2Å; R125-T129 VanDerWaalsContact O-N 3.12Å; D126-T129 PolarHBondContact O-N 3.15Å; D126-T129 VanDerWaalsContact O-N 3.14Å; D126-T129 PolarHBondContact O-OG1 2.59Å; I127-T129 PolarHBondContact O-N 2.91Å
130K98.3Very high96.8Very high82 Ų8248.9 Ų48.936%0.35727%0.267SS..THydrogen-bonded Turntrans-95.3-20.2-176.9-56.3-45.3175.8-168.40113.7I96 F97 A100 D126 I127 M128I96-K130 HydrophobicContact CG2-CB 3.74Å; I96-K130 HydrophobicContact CG2-CG 4.2Å; F97-K130 HydrophobicContact CD2-CG 4.17Å; F97-K130 HydrophobicContact CE2-CG 4.21Å; A100-K130 HydrophobicContact CB-CB 3.93Å; A100-K130 HydrophobicContact CB-CD 3.96Å; A100-K130 HydrophobicContact CB-CG 4.12Å; D126-K130 WeakPolarHBondContact O-CG 3.35Å; I127-K130 WeakPolarHBondContact O-CB 3.47Å; I127-K130 PolarHBondContact O-N 2.65Å; M128-K130 VanDerWaalsContact C-N 3.28Å; M128-K130 PolarHBondContact O-N 2.78Å
131V98.2Very high96.8Very high17 Ų1754.6 Ų54.610%0.10331%0.305CS..SBendtrans-93.9146.9-179.5-61.20000110.9M106 L108 I127M106-V131 HydrophobicContact CB-CG1 4.36Å; M106-V131 CarbonylContact O-C 3.5Å; M106-V131 WeakPolarHBondContact O-CA 3.45Å; L108-V131 HydrophobicContact CD1-CG2 4.38Å; L108-V131 HydrophobicContact CD2-CG1 3.96Å; L108-V131 HydrophobicContact CG-CB 4.44Å; L108-V131 HydrophobicContact CG-CG1 4.08Å; L108-V131 HydrophobicContact CG-CG2 4.18Å; I127-V131 PolarHBondContact O-N 3.22Å
132S97.6Very high96.8Very high73 Ų7358.1 Ų58.151%0.5133%0.326SS..SBendtrans-74.4-35.7-179.656.70000112.9M106 F160M106-S132 PolarHBondContact O-N 3.09Å; M106-S132 PolarHBondContact O-OG 3.36Å; M106-S132 VanDerWaalsContact O-OG 3.05Å; S132-F160 WeakPolarHBondContact OG-CD1 3.23Å; S132-F160 VanDerWaalsContact OG-CE1 3.26Å; S132-F160 WeakPolarHBondContact OG-CE1 3.22Å
133H98.3Very high96.8Very high37 Ų3754.4 Ų54.417%0.17131%0.311CS..EExtended strand (participates in β ladder)trans-163.8169.4-179.658-78.8000110.8A107 L108 T156 R159 F160A107-H133 WeakPolarHBondContact CA-O 3.41Å; A107-H133 WeakPolarHBondContact CB-O 3.12Å; L108-H133 PolarHBondContact N-O 2.92Å; L108-H133 VanDerWaalsContact N-O 3.09Å; H133-T156 PolarHBondContact NE2-O 3.28Å; H133-R159 WeakPolarHBondContact NE2-CB 3.13Å; H133-F160 AromaticContact CE1-CD1 3.67Å; H133-F160 AromaticContact CE1-CE1 3.86Å; H133-F160 AromaticContact CE1-CG 3.87Å; H133-F160 PolarHBondContact CE1-N 3.4Å
134S98.3Very high96.7Very high36 Ų3658.2 Ų58.225%0.25232%0.323SS..EExtended strand (participates in β ladder)trans-126.9141.4172.3-50.70000109.6L108L108-S134 CarbonylContact O-C 3.57Å; L108-S134 WeakPolarHBondContact O-CA 3.32Å
135V98.3Very high96.6Very high0 Ų062 Ų620%034%0.341CS..EExtended strand (participates in β ladder)trans-115.6123.8171.9-177.50000108.2L108 A109 T110 I143 I152 T155 T156L108-V135 PolarHBondContact O-N 2.97Å; A109-V135 WeakPolarHBondContact CA-O 3.27Å; T110-V135 PolarHBondContact N-O 3.38Å; V135-I143 HydrophobicContact CG1-CD1 4.35Å; V135-I143 HydrophobicContact CG1-CG1 4.33Å; V135-I152 HydrophobicContact CG1-CG1 4.09Å; V135-T155 HydrophobicContact CG1-CG2 4.19Å; V135-T156 WeakPolarHBondContact CB-OG1 3.01Å; V135-T156 HydrophobicContact CG2-CG2 4.19Å; V135-T156 VanDerWaalsContact CG2-OG1 3.24Å; V135-T156 WeakPolarHBondContact CG2-OG1 3.39Å
136C97.6Very high96.4Very high9 Ų957.7 Ų57.76%0.06134%0.336CS..EExtended strand (participates in β ladder)trans-115.1102.8-176.6-58.80000108.7T110 C112 L117 G138 D139 D140T110-C136 HydrophobicContact CG2-CB 4.23Å; C112-C136 CarbonylContact O-C 3.52Å; C112-C136 WeakPolarHBondContact O-CB 2.83Å; L117-C136 WeakPolarHBondContact CD2-SG 3.34Å; C136-G138 PolarHBondContact O-N 3.34Å; C136-G138 VanDerWaalsContact O-N 3.09Å; C136-D139 WeakPolarHBondContact CB-OD1 3.41Å; C136-D139 PolarHBondContact O-N 3.09Å; C136-D140 WeakPolarHBondContact O-CB 3.46Å; C136-D140 PolarHBondContact O-N 2.68Å
137S95Very high96.1Very high26 Ų2654.1 Ų54.118%0.18232%0.315CS..THydrogen-bonded Turntrans-66.4-14.7-17461.20000114.2T110 G111 D139T110-S137 PolarHBondContact O-N 2.93Å; T110-S137 PolarHBondContact O-OG 2.66Å; G111-S137 VanDerWaalsContact CA-OG 3.31Å; G111-S137 WeakPolarHBondContact CA-OG 3.47Å; G111-S137 PolarHBondContact O-OG 3.23Å; S137-D139 VanDerWaalsContact C-N 3.26Å; S137-D139 PolarHBondContact O-N 3.38Å
138G92.1Very high95.9Very high51 Ų5156.4 Ų56.453%0.52633%0.33SS..THydrogen-bonded Turntrans-65.5-27.7178.800000113.8G111 C112 C136G111-G138 PolarHBondContact O-N 2.92Å; C112-G138 PolarHBondContact O-N 3.03Å; C112-G138 VanDerWaalsContact O-N 3.08Å; C136-G138 PolarHBondContact O-N 3.34Å; C136-G138 VanDerWaalsContact O-N 3.09Å
139D95.2Very high95.8Very high77 Ų7758 Ų5841%0.41234%0.338SS..THydrogen-bonded Turntrans-142.32.2-176.458.6-7.4000114.6C113 S114 C136 S137 P141C113-D139 HydrophobicContact CB-CB 4.09Å; S114-D139 VanDerWaalsContact CB-OD2 3.27Å; S114-D139 WeakPolarHBondContact CB-OD2 3.4Å; S114-D139 VanDerWaalsContact N-CG 3.31Å; S114-D139 PolarHBondContact N-OD1 3.35Å; S114-D139 PolarHBondContact N-OD2 3.24Å; S114-D139 PolarHBondContact OG-OD2 2.86Å; C136-D139 WeakPolarHBondContact CB-OD1 3.41Å; C136-D139 PolarHBondContact O-N 3.09Å; S137-D139 VanDerWaalsContact C-N 3.26Å; S137-D139 PolarHBondContact O-N 3.38Å; D139-P141 WeakPolarHBondContact O-CD 3.3Å
140D97Very high95.8Very high20 Ų2054.4 Ų54.411%0.10732%0.316CS..  trans-74.5116.8174.5-166.8-61.2000111.9C136 T142 I143 R159C136-D140 WeakPolarHBondContact O-CB 3.46Å; C136-D140 PolarHBondContact O-N 2.68Å; D140-T142 PolarHBondContact O-N 2.7Å; D140-T142 VanDerWaalsContact O-N 3.12Å; D140-T142 WeakPolarHBondContact OD1-CB 3.49Å; D140-T142 PolarHBondContact OD1-N 3.28Å; D140-T142 PolarHBondContact OD1-OG1 3.28Å; D140-I143 HydrophobicContact CB-CG1 3.89Å; D140-I143 PolarHBondContact O-N 2.72Å; D140-I143 VanDerWaalsContact O-N 3.15Å; D140-R159 IonicContact OD1-NH2 3.78Å; D140-R159 PolarHBondContact OD1-NH2 3.41Å; D140-R159 IonicContact OD2-CZ 2.78Å; D140-R159 IonicContact OD2-NH1 3.81Å; D140-R159 PolarHBondContact OD2-NH1 2.92Å; D140-R159 IonicContact OD2-NH2 3.19Å; D140-R159 PolarHBondContact OD2-NH2 3.08Å
141P96.4Very high95.8Very high122 Ų12251.9 Ų51.979%0.79231%0.307SS*.THydrogen-bonded Turntrans-70.2-13.3-173.129.5-36.7000114D139D139-P141 WeakPolarHBondContact O-CD 3.3Å
142T95.9Very high95.8Very high76 Ų7651 Ų5147%0.46630%0.302SS..THydrogen-bonded Turntrans-84.7-17.117866.70000112.6D140 T155 R159D140-T142 PolarHBondContact O-N 2.7Å; D140-T142 VanDerWaalsContact O-N 3.12Å; D140-T142 WeakPolarHBondContact OD1-CB 3.49Å; D140-T142 PolarHBondContact OD1-N 3.28Å; D140-T142 PolarHBondContact OD1-OG1 3.28Å; T142-T155 WeakPolarHBondContact OG1-CG2 3.48Å; T142-R159 PolarHBondContact OG1-NH2 3.39Å
143I96Very high95.8Very high21 Ų2147.6 Ų47.611%0.10828%0.277CS..  trans-88.5111.5178.9-53.4-54.5000109.2V135 D140 H145 D151 I152 T155V135-I143 HydrophobicContact CG1-CD1 4.35Å; V135-I143 HydrophobicContact CG1-CG1 4.33Å; D140-I143 HydrophobicContact CB-CG1 3.89Å; D140-I143 PolarHBondContact O-N 2.72Å; D140-I143 VanDerWaalsContact O-N 3.15Å; I143-H145 WeakPolarHBondContact CG2-O 3.38Å; I143-D151 HydrophobicContact CD1-CB 4.15Å; I143-D151 WeakPolarHBondContact CD1-O 3.12Å; I143-D151 HydrophobicContact CG2-CB 4.01Å; I143-I152 HydrophobicContact CD1-CB 4.39Å; I143-T155 HydrophobicContact CD1-CG2 3.88Å; I143-T155 VanDerWaalsContact CD1-OG1 3.27Å; I143-T155 WeakPolarHBondContact CD1-OG1 3.49Å
144K95.2Very high95.8Very high173 Ų17348.8 Ų48.875%0.75229%0.285SS*.  trans-91.8-31.6179.2-62.9-165.6-180-174.90111.9D151K144-D151 PolarHBondContact N-OD2 3.35Å
145H93.7Very high95.8Very high102 Ų10248.1 Ų48.147%0.47228%0.279SS..SBendtrans-131.2129.9-179.3-42.699000109.8I143 M149 D151I143-H145 WeakPolarHBondContact CG2-O 3.38Å; H145-M149 HydrophobicContact CB-CB 3.51Å; H145-M149 HydrophobicContact CB-CG 3.5Å; H145-M149 VanDerWaalsContact CB-CG 3.5Å; H145-D151 IonicContact CG-OD2 2.87Å; H145-D151 PolarHBondContact N-OD2 2.72Å; H145-D151 IonicContact ND1-OD1 2.72Å; H145-D151 IonicContact ND1-OD2 3.55Å; H145-D151 PolarHBondContact ND1-OD2 3.36Å; H145-D151 WeakPolarHBondContact O-CB 3.31Å
146G90.9Very high95.9Very high36 Ų3648.1 Ų48.137%0.37128%0.279SS..  trans-71.9175.9171.600000112M149G146-M149 WeakPolarHBondContact O-CB 3.38Å; G146-M149 PolarHBondContact O-N 3.44Å
147K92.9Very high95.9Very high28 Ų2848 Ų4812%0.12228%0.278CS..THydrogen-bonded Turntrans-49.7135170.9-58.7169.2-174178.60109.3D10 I152 E174 N178 A182D10-K147 IonicContact OD1-NZ 2.86Å; D10-K147 PolarHBondContact OD1-NZ 2.69Å; K147-I152 HydrophobicContact CG-CG2 4.06Å; K147-E174 WeakPolarHBondContact CE-OE1 3.38Å; K147-E174 IonicContact NZ-OE1 2.86Å; K147-E174 PolarHBondContact NZ-OE1 3.07Å; K147-N178 HydrophobicContact CB-CB 4.04Å; K147-A182 HydrophobicContact CB-CB 4.19Å; K147-A182 HydrophobicContact CG-CB 4.02Å
148P92.8Very high96Very high50 Ų5052.3 Ų52.333%0.32530%0.3SS..THydrogen-bonded Turncis-88.110.115.936.5-38.3000115.7N178 E181 A182P148-N178 VanDerWaalsContact CA-O 3.3Å; P148-N178 WeakPolarHBondContact CA-O 3.3Å; P148-N178 HydrophobicContact CB-CB 4.39Å; P148-E181 HydrophobicContact CB-CB 3.64Å; P148-A182 WeakPolarHBondContact O-CA 3.41Å; P148-A182 WeakPolarHBondContact O-CB 3.41Å; P148-A182 PolarHBondContact O-N 2.86Å
149M94.9Very high96.3Very high88 Ų8854.4 Ų54.443%0.43329%0.292SS..SBendtrans-73.4146.9174.6-66.3-59-67.400111.3H145 G146 D151 A182H145-M149 HydrophobicContact CB-CB 3.51Å; H145-M149 HydrophobicContact CB-CG 3.5Å; H145-M149 VanDerWaalsContact CB-CG 3.5Å; G146-M149 WeakPolarHBondContact O-CB 3.38Å; G146-M149 PolarHBondContact O-N 3.44Å; M149-D151 PolarHBondContact O-N 3.49Å; M149-A182 WeakPolarHBondContact O-CB 3.38Å
150P97.1Very high96.5Very high18 Ų1851.1 Ų51.112%0.11727%0.274CS..THydrogen-bonded Turntrans-77.5-4.6-171.133.6-37.3000113.7I152 F153 L154 A186P150-I152 PolarHBondContact O-N 2.89Å; P150-I152 VanDerWaalsContact O-N 3.11Å; P150-F153 PolarHBondContact O-N 3.47Å; P150-F153 VanDerWaalsContact O-N 3.07Å; P150-L154 HydrophobicContact CB-CD1 3.87Å; P150-L154 HydrophobicContact CB-CG 4.1Å; P150-L154 HydrophobicContact CG-CD1 3.93Å; P150-L154 WeakPolarHBondContact O-CG 3.42Å; P150-L154 PolarHBondContact O-N 2.9Å; P150-A186 HydrophobicContact CB-CB 3.74Å
151D97.9Very high96.5Very high29 Ų2960.1 Ų60.116%0.15531%0.312CS..Hα-helixtrans-45.2-48-173.5-62.930.3000112.1I143 K144 H145 M149 T155I143-D151 HydrophobicContact CD1-CB 4.15Å; I143-D151 WeakPolarHBondContact CD1-O 3.12Å; I143-D151 HydrophobicContact CG2-CB 4.01Å; K144-D151 PolarHBondContact N-OD2 3.35Å; H145-D151 IonicContact CG-OD2 2.87Å; H145-D151 PolarHBondContact N-OD2 2.72Å; H145-D151 IonicContact ND1-OD1 2.72Å; H145-D151 IonicContact ND1-OD2 3.55Å; H145-D151 PolarHBondContact ND1-OD2 3.36Å; H145-D151 WeakPolarHBondContact O-CB 3.31Å; M149-D151 PolarHBondContact O-N 3.49Å; D151-T155 WeakPolarHBondContact O-CB 3.42Å; D151-T155 PolarHBondContact O-N 3.14Å; D151-T155 PolarHBondContact O-OG1 3.1Å
152I98.2Very high96.6Very high0 Ų059.5 Ų59.50%031%0.306CS..Hα-helixtrans-65.4-44.3-176.1-163.9179.5000112.3A109 T110 V135 I143 K147 P150 T156A109-I152 HydrophobicContact CB-CD1 4.01Å; A109-I152 HydrophobicContact CB-CG1 4.08Å; T110-I152 VanDerWaalsContact O-CD1 3.28Å; T110-I152 WeakPolarHBondContact O-CD1 3.46Å; V135-I152 HydrophobicContact CG1-CG1 4.09Å; I143-I152 HydrophobicContact CD1-CB 4.39Å; K147-I152 HydrophobicContact CG-CG2 4.06Å; P150-I152 PolarHBondContact O-N 2.89Å; P150-I152 VanDerWaalsContact O-N 3.11Å; I152-T156 VanDerWaalsContact O-CB 3.27Å; I152-T156 WeakPolarHBondContact O-CB 3.35Å; I152-T156 PolarHBondContact O-N 3.48Å; I152-T156 PolarHBondContact O-OG1 3.3Å
153F98.6Very high96.6Very high0 Ų059 Ų590%030%0.303CS..Hα-helixtrans-75.2-40.3-178.1-65.9-54.8000112I8 A109 P150 T155 T156 A157 V172 E174 G179 A182 A183 A186 M188I8-F153 HydrophobicContact CG2-CD1 3.95Å; I8-F153 HydrophobicContact CG2-CE1 4.11Å; A109-F153 HydrophobicContact CB-CD1 4.06Å; A109-F153 HydrophobicContact CB-CE1 3.89Å; P150-F153 PolarHBondContact O-N 3.47Å; P150-F153 VanDerWaalsContact O-N 3.07Å; F153-T155 PolarHBondContact O-N 2.9Å; F153-T156 PolarHBondContact O-N 3.48Å; F153-A157 WeakPolarHBondContact O-CB 3.47Å; F153-A157 PolarHBondContact O-N 2.7Å; F153-V172 HydrophobicContact CD1-CG1 4.03Å; F153-V172 HydrophobicContact CD1-CG2 4Å; F153-V172 HydrophobicContact CE1-CG1 3.41Å; F153-V172 VanDerWaalsContact CE1-CG1 3.41Å; F153-V172 HydrophobicContact CE1-CG2 4.25Å; F153-V172 HydrophobicContact CE2-CG1 4.24Å; F153-V172 HydrophobicContact CG-CG2 4.29Å; F153-V172 HydrophobicContact CZ-CG1 3.54Å; F153-E174 HydrophobicContact CZ-CG 3.93Å; F153-E174 WeakPolarHBondContact CZ-OE1 3.1Å; F153-G179 WeakPolarHBondContact CE2-O 3.39Å; F153-A182 HydrophobicContact CD2-CB 3.76Å; F153-A182 HydrophobicContact CE2-CB 3.6Å; F153-A183 HydrophobicContact CD2-CB 4.12Å; F153-A183 HydrophobicContact CE2-CB 4Å; F153-A186 HydrophobicContact CB-CB 4.12Å; F153-M188 HydrophobicContact CB-CE 4.17Å; F153-M188 HydrophobicContact CB-SD 3.88Å
154L98.5Very high96.6Very high62 Ų6259 Ų5933%0.32531%0.305SS..Hα-helixtrans-61.2-45.7173.9-67.4175.3000111.1P150 A157 N158 A186 M188P150-L154 HydrophobicContact CB-CD1 3.87Å; P150-L154 HydrophobicContact CB-CG 4.1Å; P150-L154 HydrophobicContact CG-CD1 3.93Å; P150-L154 WeakPolarHBondContact O-CG 3.42Å; P150-L154 PolarHBondContact O-N 2.9Å; L154-A157 PolarHBondContact O-N 3.34Å; L154-N158 WeakPolarHBondContact O-CB 3.48Å; L154-N158 VanDerWaalsContact O-CG 3.22Å; L154-N158 PolarHBondContact O-N 3.2Å; L154-N158 PolarHBondContact O-ND2 3.12Å; L154-A186 HydrophobicContact CD2-CB 3.9Å; L154-A186 HydrophobicContact CG-CB 4.01Å; L154-M188 HydrophobicContact CD2-CE 4.49Å
155T98.4Very high96.7Very high23 Ų2358.2 Ų58.214%0.14131%0.309CS..Hα-helixtrans-62.1-44.1176.1-63.40000111.5V135 T142 I143 D151 F153 N158 R159V135-T155 HydrophobicContact CG1-CG2 4.19Å; T142-T155 WeakPolarHBondContact OG1-CG2 3.48Å; I143-T155 HydrophobicContact CD1-CG2 3.88Å; I143-T155 VanDerWaalsContact CD1-OG1 3.27Å; I143-T155 WeakPolarHBondContact CD1-OG1 3.49Å; D151-T155 WeakPolarHBondContact O-CB 3.42Å; D151-T155 PolarHBondContact O-N 3.14Å; D151-T155 PolarHBondContact O-OG1 3.1Å; F153-T155 PolarHBondContact O-N 2.9Å; T155-N158 PolarHBondContact O-N 3.38Å; T155-R159 WeakPolarHBondContact O-CG 3.33Å; T155-R159 PolarHBondContact O-N 3.17Å
156T98.7Very high96.9Very high0 Ų055.7 Ų55.70%030%0.303CS..Hα-helixtrans-62.6-45.3179.1-57.60000111.4I8 A107 A109 H133 V135 I152 F153 N158 R159I8-T156 HydrophobicContact CD1-CG2 3.81Å; I8-T156 HydrophobicContact CG1-CG2 3.93Å; I8-T156 HydrophobicContact CG2-CG2 3.83Å; A107-T156 HydrophobicContact CB-CG2 3.49Å; A107-T156 VanDerWaalsContact CB-CG2 3.49Å; A109-T156 HydrophobicContact CB-CG2 4.32Å; H133-T156 PolarHBondContact NE2-O 3.28Å; V135-T156 WeakPolarHBondContact CB-OG1 3.01Å; V135-T156 HydrophobicContact CG2-CG2 4.19Å; V135-T156 VanDerWaalsContact CG2-OG1 3.24Å; V135-T156 WeakPolarHBondContact CG2-OG1 3.39Å; I152-T156 VanDerWaalsContact O-CB 3.27Å; I152-T156 WeakPolarHBondContact O-CB 3.35Å; I152-T156 PolarHBondContact O-N 3.48Å; I152-T156 PolarHBondContact O-OG1 3.3Å; F153-T156 PolarHBondContact O-N 3.48Å; T156-N158 PolarHBondContact O-N 2.8Å; T156-R159 PolarHBondContact O-N 3.44Å
157A98.6Very high97.2Very high5 Ų555.8 Ų55.84%0.04130%0.298CS..Hα-helixtrans-62.8-40.7177.200000112.4I8 F153 L154 R159 F160 P164 V170 M188I8-A157 HydrophobicContact CD1-CB 4.27Å; F153-A157 WeakPolarHBondContact O-CB 3.47Å; F153-A157 PolarHBondContact O-N 2.7Å; L154-A157 PolarHBondContact O-N 3.34Å; A157-R159 PolarHBondContact O-N 2.92Å; A157-F160 WeakPolarHBondContact O-CD2 3.46Å; A157-F160 PolarHBondContact O-N 3.35Å; A157-P164 HydrophobicContact CB-CG 4.18Å; A157-V170 HydrophobicContact CB-CG2 4.45Å; A157-M188 HydrophobicContact CB-CE 3.69Å
158N97.9Very high97.4Very high118 Ų11857.5 Ų57.563%0.63131%0.308SS*.Hα-helixtrans-70.3-17.4179.6-73.4-31.4000114L154 T155 T156L154-N158 WeakPolarHBondContact O-CB 3.48Å; L154-N158 VanDerWaalsContact O-CG 3.22Å; L154-N158 PolarHBondContact O-N 3.2Å; L154-N158 PolarHBondContact O-ND2 3.12Å; T155-N158 PolarHBondContact O-N 3.38Å; T156-N158 PolarHBondContact O-N 2.8Å
159R98.3Very high97.6Very high95 Ų9556.5 Ų56.536%0.35830%0.3SS..THydrogen-bonded Turntrans-88.6-7.4179.8-76.4178.2-170.4-173.76.7114.1H133 D140 T142 T155 T156 A157 K161H133-R159 WeakPolarHBondContact NE2-CB 3.13Å; D140-R159 IonicContact OD1-NH2 3.78Å; D140-R159 PolarHBondContact OD1-NH2 3.41Å; D140-R159 IonicContact OD2-CZ 2.78Å; D140-R159 IonicContact OD2-NH1 3.81Å; D140-R159 PolarHBondContact OD2-NH1 2.92Å; D140-R159 IonicContact OD2-NH2 3.19Å; D140-R159 PolarHBondContact OD2-NH2 3.08Å; T142-R159 PolarHBondContact OG1-NH2 3.39Å; T155-R159 WeakPolarHBondContact O-CG 3.33Å; T155-R159 PolarHBondContact O-N 3.17Å; T156-R159 PolarHBondContact O-N 3.44Å; A157-R159 PolarHBondContact O-N 2.92Å; R159-K161 PolarHBondContact O-N 2.96Å
160F98.5Very high97.8Very high8 Ų852.3 Ų52.34%0.03528%0.28CS..SBendtrans-60.3139.3169.3-75-68.6000110.4H6 I8 P105 M106 A107 S132 H133 A157 V162H6-F160 HydrophobicContact CB-CD2 4.44Å; H6-F160 HydrophobicContact CB-CE2 4.06Å; H6-F160 HydrophobicContact CB-CZ 4.42Å; H6-F160 AromaticContact CD2-CD1 3.94Å; H6-F160 AromaticContact CD2-CD2 3.49Å; H6-F160 VanDerWaalsContact CD2-CD2 3.49Å; H6-F160 WeakPolarHBondContact CD2-CD2 3.47Å; H6-F160 AromaticContact CD2-CE2 3.86Å; H6-F160 AromaticContact CD2-CG 3.55Å; I8-F160 HydrophobicContact CD1-CE2 4.46Å; I8-F160 HydrophobicContact CG1-CE2 4.13Å; I8-F160 HydrophobicContact CG1-CZ 4.37Å; P105-F160 HydrophobicContact CB-CD1 3.84Å; P105-F160 HydrophobicContact CB-CE1 3.83Å; M106-F160 VanDerWaalsContact C-CE1 3.48Å; A107-F160 HydrophobicContact CB-CE1 3.83Å; A107-F160 HydrophobicContact CB-CE2 4.27Å; A107-F160 HydrophobicContact CB-CZ 3.5Å; S132-F160 WeakPolarHBondContact OG-CD1 3.23Å; S132-F160 VanDerWaalsContact OG-CE1 3.26Å; S132-F160 WeakPolarHBondContact OG-CE1 3.22Å; H133-F160 AromaticContact CE1-CD1 3.67Å; H133-F160 AromaticContact CE1-CE1 3.86Å; H133-F160 AromaticContact CE1-CG 3.87Å; H133-F160 PolarHBondContact CE1-N 3.4Å; A157-F160 WeakPolarHBondContact O-CD2 3.46Å; A157-F160 PolarHBondContact O-N 3.35Å; F160-V162 WeakPolarHBondContact CB-O 3.27Å; F160-V162 PolarHBondContact O-N 3.44Å
161K97.3Very high97.9Very high209 Ų20951.5 Ų51.591%0.90927%0.274SS*.SBendtrans-55.9-38.4179-177.7-179.5178.3-177.60112.2R159R159-K161 PolarHBondContact O-N 2.96Å
162V97.5Very high97.9Very high108 Ų10850.1 Ų50.166%0.65527%0.267SS*.SBendtrans-115.5105.9166.51800000105.4H6 F160H6-V162 PolarHBondContact NE2-O 3.26Å; F160-V162 WeakPolarHBondContact CB-O 3.27Å; F160-V162 PolarHBondContact O-N 3.44Å
163P96.3Very high98Very high65 Ų6550.1 Ų50.142%0.42227%0.267SS..  trans-62.8154.4178.2-24.935.4000112.2
164P97.5Very high97.9Very high21 Ų2150.1 Ų50.114%0.13627%0.267CS..  trans-61.9145.3170.226.7-34.6000111.5A157 S166 N169 V170A157-P164 HydrophobicContact CB-CG 4.18Å; P164-S166 PolarHBondContact O-N 3.43Å; P164-N169 HydrophobicContact CB-CB 4.29Å; P164-V170 HydrophobicContact CB-CG2 3.74Å; P164-V170 HydrophobicContact CG-CG2 3.53Å
165D97.1Very high97.8Very high157 Ų15747.6 Ų47.684%0.8425%0.254SS*.SBendtrans-61.4-31.8177.6-66.9-30.7000112.6
166S97.1Very high97.5Very high49 Ų4946.7 Ų46.734%0.34325%0.249SC..SBendtrans-152.5158.8176.7176.30000110.3P164 D168 N169P164-S166 PolarHBondContact O-N 3.43Å; S166-D168 PolarHBondContact O-N 3.36Å; S166-D168 PolarHBondContact OG-N 3.42Å; S166-D168 PolarHBondContact OG-OD2 3.02Å; S166-N169 PolarHBondContact N-OD1 3.47Å; S166-N169 WeakPolarHBondContact O-CB 3.27Å; S166-N169 PolarHBondContact O-N 2.92Å
167S97.4Very high97.2Very high38 Ų3847.6 Ų47.627%0.26626%0.255SS..G310 helixtrans-55.1-29.2168.4-640000112.8N169 V170 A186 G187S167-N169 PolarHBondContact O-N 3.26Å; S167-N169 VanDerWaalsContact O-N 3.15Å; S167-V170 PolarHBondContact O-N 3.11Å; S167-A186 WeakPolarHBondContact CB-O 3.37Å; S167-A186 PolarHBondContact OG-O 3.38Å; S167-G187 CarbonylContact C-O 3.31Å; S167-G187 WeakPolarHBondContact CB-O 3.33Å
168D96.3Very high96.9Very high64 Ų6448.5 Ų48.534%0.34226%0.259SS..G310 helixtrans-61.2-20.9174.6-70.5-67.4000113.3T2 S166 V170 H189 R214T2-D168 WeakPolarHBondContact CG2-O 3.22Å; S166-D168 PolarHBondContact O-N 3.36Å; S166-D168 PolarHBondContact OG-N 3.42Å; S166-D168 PolarHBondContact OG-OD2 3.02Å; D168-V170 VanDerWaalsContact C-N 3.31Å; D168-H189 PolarHBondContact O-CD2 2.9Å; D168-R214 IonicContact OD1-CZ 3.2Å; D168-R214 IonicContact OD1-NH1 2.71Å; D168-R214 PolarHBondContact OD1-NH1 3.26Å; D168-R214 IonicContact OD1-NH2 2.75Å; D168-R214 PolarHBondContact OD1-NH2 3.46Å
169N98.1Very high96.7Very high30 Ų3042.9 Ų42.916%0.1623%0.229CC..G310 helixtrans-89.74.7178-56.9109.4000113.2K3 V4 T5 H6 P164 S166 S167K3-N169 PolarHBondContact O-ND2 2.93Å; V4-N169 WeakPolarHBondContact CA-O 3.37Å; T5-N169 HydrophobicContact CG2-CB 4.5Å; T5-N169 PolarHBondContact N-O 3.32Å; T5-N169 WeakPolarHBondContact OG1-CB 3.42Å; H6-N169 PolarHBondContact N-O 2.92Å; H6-N169 VanDerWaalsContact N-O 3.14Å; P164-N169 HydrophobicContact CB-CB 4.29Å; S166-N169 PolarHBondContact N-OD1 3.47Å; S166-N169 WeakPolarHBondContact O-CB 3.27Å; S166-N169 PolarHBondContact O-N 2.92Å; S167-N169 PolarHBondContact O-N 3.26Å; S167-N169 VanDerWaalsContact O-N 3.15Å
170V98.7Very high96.6Very high0 Ų038.4 Ų38.40%021%0.212CC..EExtended strand (participates in β ladder)trans-107.8132.2179.4-1710000110.1H6 I8 A157 P164 S167 D168 M188 H189H6-V170 HydrophobicContact CB-CG2 4.35Å; H6-V170 WeakPolarHBondContact O-CA 3.36Å; I8-V170 HydrophobicContact CD1-CG1 3.66Å; I8-V170 HydrophobicContact CG1-CG1 3.98Å; A157-V170 HydrophobicContact CB-CG2 4.45Å; P164-V170 HydrophobicContact CB-CG2 3.74Å; P164-V170 HydrophobicContact CG-CG2 3.53Å; S167-V170 PolarHBondContact O-N 3.11Å; D168-V170 VanDerWaalsContact C-N 3.31Å; V170-M188 HydrophobicContact CB-CB 4.36Å; V170-M188 HydrophobicContact CB-CE 4.22Å; V170-M188 HydrophobicContact CB-CG 3.92Å; V170-M188 HydrophobicContact CB-SD 3.85Å; V170-M188 HydrophobicContact CG1-CE 4.14Å; V170-M188 HydrophobicContact CG1-CG 4.28Å; V170-M188 HydrophobicContact CG1-SD 3.57Å; V170-M188 VanDerWaalsContact CG1-SD 3.57Å; V170-M188 HydrophobicContact CG2-CE 4.2Å; V170-M188 HydrophobicContact CG2-SD 4.48Å; V170-H189 PolarHBondContact O-N 3.34Å; V170-H189 VanDerWaalsContact O-N 3.12Å
171L98.7Very high96.4Very high0 Ų040.1 Ų40.10%022%0.22CC..EExtended strand (participates in β ladder)trans-110.7120.3170.8-172.861.6000109.9V4 H6 V7 I8 F173 H189 V191 F224 F229 L231V4-L171 HydrophobicContact CB-CB 4.41Å; V4-L171 HydrophobicContact CG1-CB 3.6Å; V4-L171 HydrophobicContact CG2-CB 3.92Å; H6-L171 PolarHBondContact O-N 2.91Å; V7-L171 CarbonylContact C-O 3.51Å; V7-L171 VanDerWaalsContact CA-O 3.29Å; V7-L171 WeakPolarHBondContact CA-O 3.41Å; V7-L171 WeakPolarHBondContact CG1-O 3.22Å; V7-L171 HydrophobicContact CG2-CB 4.45Å; I8-L171 PolarHBondContact N-O 3.24Å; L171-F173 HydrophobicContact CD2-CE2 3.66Å; L171-F173 HydrophobicContact CD2-CZ 4Å; L171-F173 HydrophobicContact CG-CD2 4.42Å; L171-F173 HydrophobicContact CG-CE2 3.94Å; L171-H189 HydrophobicContact CD1-CB 3.69Å; L171-V191 HydrophobicContact CD1-CG2 4.01Å; L171-V191 HydrophobicContact CD2-CG2 4.17Å; L171-V191 HydrophobicContact CG-CG2 4.31Å; L171-F224 HydrophobicContact CD2-CE2 3.81Å; L171-F224 HydrophobicContact CD2-CZ 3.6Å; L171-F229 HydrophobicContact CD1-CD1 3.75Å; L171-F229 HydrophobicContact CD1-CE1 3.45Å; L171-F229 VanDerWaalsContact CD1-CE1 3.45Å; L171-F229 HydrophobicContact CD1-CZ 4.09Å; L171-F229 HydrophobicContact CD2-CB 4.39Å; L171-F229 HydrophobicContact CD2-CD1 3.89Å; L171-F229 HydrophobicContact CD2-CD2 4.26Å; L171-F229 HydrophobicContact CD2-CE1 4.16Å; L171-F229 HydrophobicContact CD2-CG 3.92Å; L171-F229 HydrophobicContact CD2-CZ 4.45Å; L171-F229 HydrophobicContact CG-CD1 4.42Å; L171-F229 HydrophobicContact CG-CE1 4.46Å; L171-L231 HydrophobicContact CD2-CD1 4.37Å
172V98.8Very high96.3Very high0 Ų030.1 Ų30.10%018%0.176CC..EExtended strand (participates in β ladder)trans-95.4137.2173.7-178.60000109.3I8 F153 E174 A183 M188 H189 V190 V191I8-V172 HydrophobicContact CB-CG2 4.42Å; I8-V172 CarbonylContact O-C 3.57Å; I8-V172 VanDerWaalsContact O-CA 3.28Å; I8-V172 WeakPolarHBondContact O-CA 3.36Å; F153-V172 HydrophobicContact CD1-CG1 4.03Å; F153-V172 HydrophobicContact CD1-CG2 4Å; F153-V172 HydrophobicContact CE1-CG1 3.41Å; F153-V172 VanDerWaalsContact CE1-CG1 3.41Å; F153-V172 HydrophobicContact CE1-CG2 4.25Å; F153-V172 HydrophobicContact CE2-CG1 4.24Å; F153-V172 HydrophobicContact CG-CG2 4.29Å; F153-V172 HydrophobicContact CZ-CG1 3.54Å; V172-E174 HydrophobicContact CG1-CB 4.48Å; V172-E174 HydrophobicContact CG1-CG 3.83Å; V172-A183 HydrophobicContact CB-CB 3.84Å; V172-A183 HydrophobicContact CG1-CB 4.02Å; V172-A183 HydrophobicContact CG2-CB 3.85Å; V172-M188 HydrophobicContact CG2-CB 4.12Å; V172-M188 HydrophobicContact CG2-SD 3.71Å; V172-H189 PolarHBondContact N-O 2.91Å; V172-V190 HydrophobicContact CB-CB 4.47Å; V172-V190 HydrophobicContact CB-CG2 4.33Å; V172-V190 CarbonylContact O-C 3.48Å; V172-V190 VanDerWaalsContact O-CA 3.26Å; V172-V190 WeakPolarHBondContact O-CA 3.38Å; V172-V191 PolarHBondContact O-N 3.24Å
173F98.8Very high96.3Very high0 Ų025 Ų250%015%0.145CC..EExtended strand (participates in β ladder)trans-104.2131.7163.7-71.5-107.4000108.6V7 I8 F9 D10 L14 L95 L171 V191 I193 M221 F224V7-F173 HydrophobicContact CG1-CD2 3.59Å; V7-F173 HydrophobicContact CG1-CE2 3.52Å; I8-F173 PolarHBondContact O-N 3.48Å; F9-F173 HydrophobicContact CD1-CB 3.66Å; F9-F173 AromaticContact CD1-CD2 3.88Å; F9-F173 HydrophobicContact CD1-CD2 3.88Å; F9-F173 AromaticContact CD1-CG 3.8Å; F9-F173 HydrophobicContact CD1-CG 3.8Å; F9-F173 HydrophobicContact CE1-CB 4.08Å; F9-F173 HydrophobicContact CE1-CD1 4.18Å; F9-F173 AromaticContact CE1-CD2 3.51Å; F9-F173 HydrophobicContact CE1-CD2 3.51Å; F9-F173 AromaticContact CE1-CE2 3.93Å; F9-F173 HydrophobicContact CE1-CE2 3.93Å; F9-F173 AromaticContact CE1-CG 3.66Å; F9-F173 HydrophobicContact CE1-CG 3.66Å; F9-F173 HydrophobicContact CE1-CZ 4.42Å; F9-F173 HydrophobicContact CZ-CD2 4.06Å; F9-F173 HydrophobicContact CZ-CE2 4.18Å; D10-F173 PolarHBondContact N-O 2.96Å; L14-F173 HydrophobicContact CD1-CB 4.38Å; L14-F173 HydrophobicContact CD2-CB 3.62Å; L14-F173 WeakPolarHBondContact CD2-O 3.5Å; L95-F173 HydrophobicContact CD2-CD1 4.41Å; L95-F173 HydrophobicContact CD2-CE1 3.65Å; L95-F173 HydrophobicContact CD2-CE2 4.35Å; L95-F173 HydrophobicContact CD2-CZ 3.62Å; L171-F173 HydrophobicContact CD2-CE2 3.66Å; L171-F173 HydrophobicContact CD2-CZ 4Å; L171-F173 HydrophobicContact CG-CD2 4.42Å; L171-F173 HydrophobicContact CG-CE2 3.94Å; F173-V191 WeakPolarHBondContact CA-O 3.31Å; F173-V191 HydrophobicContact CD1-CB 3.67Å; F173-V191 HydrophobicContact CD1-CG1 3.63Å; F173-V191 HydrophobicContact CD1-CG2 4.35Å; F173-V191 HydrophobicContact CE1-CB 3.75Å; F173-V191 HydrophobicContact CE1-CG1 3.64Å; F173-V191 HydrophobicContact CE1-CG2 3.94Å; F173-V191 HydrophobicContact CG-CB 4.14Å; F173-V191 HydrophobicContact CZ-CB 4.26Å; F173-V191 HydrophobicContact CZ-CG2 4.05Å; F173-I193 HydrophobicContact CD1-CD1 4.27Å; F173-M221 HydrophobicContact CD1-CG 4.14Å; F173-M221 HydrophobicContact CD1-SD 4.28Å; F173-M221 HydrophobicContact CE1-CG 4.4Å; F173-F224 HydrophobicContact CE1-CB 4.42Å; F173-F224 HydrophobicContact CE1-CD1 4.35Å; F173-F224 AromaticContact CE1-CD2 3.84Å; F173-F224 HydrophobicContact CE1-CD2 3.84Å; F173-F224 HydrophobicContact CE1-CE2 4.17Å; F173-F224 AromaticContact CE1-CG 3.94Å; F173-F224 HydrophobicContact CE1-CG 3.94Å; F173-F224 HydrophobicContact CE2-CZ 4.44Å; F173-F224 AromaticContact CZ-CD1 3.93Å; F173-F224 HydrophobicContact CZ-CD1 3.93Å; F173-F224 AromaticContact CZ-CD2 3.74Å; F173-F224 HydrophobicContact CZ-CD2 3.74Å; F173-F224 AromaticContact CZ-CE1 3.8Å; F173-F224 HydrophobicContact CZ-CE1 3.8Å; F173-F224 AromaticContact CZ-CE2 3.62Å; F173-F224 HydrophobicContact CZ-CE2 3.62Å; F173-F224 AromaticContact CZ-CG 3.9Å; F173-F224 HydrophobicContact CZ-CG 3.9Å; F173-F224 AromaticContact CZ-CZ 3.66Å; F173-F224 HydrophobicContact CZ-CZ 3.66Å
174E97.6Very high96.4Very high0 Ų022.7 Ų22.70%013%0.129CC..EExtended strand (participates in β ladder)trans-148.4148.6-173.5-100.7-74.7-179.500111.3D10 K147 F153 V172 S176 G179 V180 V190 V191 W192 I193D10-E174 HydrophobicContact CB-CG 4.31Å; K147-E174 WeakPolarHBondContact CE-OE1 3.38Å; K147-E174 IonicContact NZ-OE1 2.86Å; K147-E174 PolarHBondContact NZ-OE1 3.07Å; F153-E174 HydrophobicContact CZ-CG 3.93Å; F153-E174 WeakPolarHBondContact CZ-OE1 3.1Å; V172-E174 HydrophobicContact CG1-CB 4.48Å; V172-E174 HydrophobicContact CG1-CG 3.83Å; E174-S176 PolarHBondContact OE2-N 3.14Å; E174-S176 VanDerWaalsContact OE2-N 3.16Å; E174-S176 PolarHBondContact OE2-OG 3.06Å; E174-G179 VanDerWaalsContact OE1-CA 3.26Å; E174-G179 WeakPolarHBondContact OE1-CA 3.42Å; E174-V180 HydrophobicContact CB-CG2 4.32Å; E174-V190 HydrophobicContact CB-CG2 4.09Å; E174-V191 PolarHBondContact N-O 2.97Å; E174-W192 CarbonylContact O-C 3.43Å; E174-W192 WeakPolarHBondContact O-CA 3.42Å; E174-I193 PolarHBondContact O-N 3.42Å
175D95.6Very high96.3Very high9 Ų925.3 Ų25.35%0.04815%0.148CC..SBendtrans-102.2-31.3173.178.4-52.3000111.7L14 M46 W192 I193L14-D175 HydrophobicContact CB-CB 4.43Å; M46-D175 WeakPolarHBondContact CE-OD2 3.45Å; D175-W192 PolarHBondContact O-NE1 3.39Å; D175-I193 VanDerWaalsContact CA-O 3.25Å; D175-I193 WeakPolarHBondContact CA-O 3.38Å; D175-I193 WeakPolarHBondContact CB-O 3.18Å
176S92.9Very high96.3Very high5 Ų518.1 Ų18.14%0.03511%0.111CC..SBendtrans-94.8143-164.974.80000112.7E174 N178 G179 V180E174-S176 PolarHBondContact OE2-N 3.14Å; E174-S176 VanDerWaalsContact OE2-N 3.16Å; E174-S176 PolarHBondContact OE2-OG 3.06Å; S176-N178 VanDerWaalsContact C-N 3.3Å; S176-N178 PolarHBondContact O-N 2.57Å; S176-G179 PolarHBondContact O-N 3.17Å; S176-G179 VanDerWaalsContact O-N 3.14Å; S176-G179 PolarHBondContact OG-N 3.04Å; S176-V180 WeakPolarHBondContact O-CG2 3.09Å; S176-V180 PolarHBondContact O-N 3.45Å
177P92.1Very high96.3Very high19 Ų1917 Ų1712%0.12311%0.107CC..Hα-helixtrans-51.7-44.6171-32.439.2000114G179 V180 E181 P204P177-G179 VanDerWaalsContact C-N 3.31Å; P177-G179 PolarHBondContact O-N 2.92Å; P177-V180 PolarHBondContact O-N 3.05Å; P177-E181 WeakPolarHBondContact O-CG 3.49Å; P177-E181 PolarHBondContact O-N 3.21Å; P177-P204 HydrophobicContact CB-CB 4.45Å; P177-P204 HydrophobicContact CB-CG 3.86Å
178N91.8Very high96.3Very high24 Ų2415.3 Ų15.313%0.12810%0.095CC..Hα-helixtrans-64.2-38179.7-70.5-2.9000111.4M46 G47 K147 P148 S176 E181 A182M46-N178 PolarHBondContact O-ND2 2.94Å; G47-N178 PolarHBondContact O-ND2 3.4Å; K147-N178 HydrophobicContact CB-CB 4.04Å; P148-N178 VanDerWaalsContact CA-O 3.3Å; P148-N178 WeakPolarHBondContact CA-O 3.3Å; P148-N178 HydrophobicContact CB-CB 4.39Å; S176-N178 VanDerWaalsContact C-N 3.3Å; S176-N178 PolarHBondContact O-N 2.57Å; N178-E181 PolarHBondContact O-N 3.06Å; N178-A182 WeakPolarHBondContact O-CB 3.39Å; N178-A182 PolarHBondContact O-N 2.94Å
179G95Very high96.4Very high0 Ų013.1 Ų13.10%08%0.083CC..Hα-helixtrans-68.6-40.8176.600000113.6F153 E174 S176 P177 E181 A182 A183F153-G179 WeakPolarHBondContact CE2-O 3.39Å; E174-G179 VanDerWaalsContact OE1-CA 3.26Å; E174-G179 WeakPolarHBondContact OE1-CA 3.42Å; S176-G179 PolarHBondContact O-N 3.17Å; S176-G179 VanDerWaalsContact O-N 3.14Å; S176-G179 PolarHBondContact OG-N 3.04Å; P177-G179 VanDerWaalsContact C-N 3.31Å; P177-G179 PolarHBondContact O-N 2.92Å; G179-E181 VanDerWaalsContact C-N 3.33Å; G179-E181 PolarHBondContact O-N 3.48Å; G179-A182 PolarHBondContact O-N 2.78Å; G179-A183 PolarHBondContact O-N 2.98Å
180V95.2Very high96.4Very high0 Ų011.7 Ų11.70%08%0.075CC..Hα-helixtrans-57.3-48170.8174.30000110.7E174 S176 P177 A182 A183 L184 V190 W192 I207 I215E174-V180 HydrophobicContact CB-CG2 4.32Å; S176-V180 WeakPolarHBondContact O-CG2 3.09Å; S176-V180 PolarHBondContact O-N 3.45Å; P177-V180 PolarHBondContact O-N 3.05Å; V180-A182 VanDerWaalsContact C-N 3.33Å; V180-A182 PolarHBondContact O-N 3.08Å; V180-A183 PolarHBondContact O-N 3.12Å; V180-L184 HydrophobicContact CG1-CD1 3.97Å; V180-L184 VanDerWaalsContact O-CG 3.27Å; V180-L184 WeakPolarHBondContact O-CG 3.27Å; V180-L184 PolarHBondContact O-N 3.3Å; V180-V190 HydrophobicContact CG1-CG1 4.1Å; V180-V190 HydrophobicContact CG2-CG2 4.27Å; V180-W192 HydrophobicContact CG2-CB 3.78Å; V180-W192 HydrophobicContact CG2-CD2 3.97Å; V180-W192 HydrophobicContact CG2-CG 3.43Å; V180-W192 VanDerWaalsContact CG2-CG 3.43Å; V180-I207 HydrophobicContact CG1-CD1 3.73Å; V180-I215 HydrophobicContact CG1-CD1 4.08Å; V180-I215 HydrophobicContact CG1-CG1 4.41Å
181E95Very high96.4Very high44 Ų4411.7 Ų11.721%0.2068%0.075CC..Hα-helixtrans-60.8-40176.8-71.9178.5-152.200112.7P148 P177 N178 G179 S185 P204 S206 I207P148-E181 HydrophobicContact CB-CB 3.64Å; P177-E181 WeakPolarHBondContact O-CG 3.49Å; P177-E181 PolarHBondContact O-N 3.21Å; N178-E181 PolarHBondContact O-N 3.06Å; G179-E181 VanDerWaalsContact C-N 3.33Å; G179-E181 PolarHBondContact O-N 3.48Å; E181-S185 VanDerWaalsContact O-CB 3.26Å; E181-S185 WeakPolarHBondContact O-CB 3.28Å; E181-S185 PolarHBondContact O-N 3.45Å; E181-S185 PolarHBondContact O-OG 3.35Å; E181-P204 HydrophobicContact CG-CB 4.28Å; E181-P204 WeakPolarHBondContact OE1-CB 3.37Å; E181-S206 PolarHBondContact OE1-OG 3.28Å; E181-S206 PolarHBondContact OE2-OG 3.46Å; E181-I207 HydrophobicContact CG-CG1 4.19Å
182A95.7Very high96.3Very high0 Ų011.9 Ų11.90%08%0.075CC..Hα-helixtrans-65.8-41.2176.600000112.7K147 P148 M149 F153 N178 G179 V180 S185 A186K147-A182 HydrophobicContact CB-CB 4.19Å; K147-A182 HydrophobicContact CG-CB 4.02Å; P148-A182 WeakPolarHBondContact O-CA 3.41Å; P148-A182 WeakPolarHBondContact O-CB 3.41Å; P148-A182 PolarHBondContact O-N 2.86Å; M149-A182 WeakPolarHBondContact O-CB 3.38Å; F153-A182 HydrophobicContact CD2-CB 3.76Å; F153-A182 HydrophobicContact CE2-CB 3.6Å; N178-A182 WeakPolarHBondContact O-CB 3.39Å; N178-A182 PolarHBondContact O-N 2.94Å; G179-A182 PolarHBondContact O-N 2.78Å; V180-A182 VanDerWaalsContact C-N 3.33Å; V180-A182 PolarHBondContact O-N 3.08Å; A182-S185 PolarHBondContact O-N 2.95Å; A182-A186 WeakPolarHBondContact O-CB 3.18Å; A182-A186 PolarHBondContact O-N 2.75Å
183A97.8Very high96.2Very high0 Ų012.6 Ų12.60%08%0.079CC..Hα-helixtrans-64.7-43.2177.500000111.5F153 V172 G179 V180 A186 G187 M188 V190F153-A183 HydrophobicContact CD2-CB 4.12Å; F153-A183 HydrophobicContact CE2-CB 4Å; V172-A183 HydrophobicContact CB-CB 3.84Å; V172-A183 HydrophobicContact CG1-CB 4.02Å; V172-A183 HydrophobicContact CG2-CB 3.85Å; G179-A183 PolarHBondContact O-N 2.98Å; V180-A183 PolarHBondContact O-N 3.12Å; A183-A186 WeakPolarHBondContact O-CB 3.42Å; A183-A186 PolarHBondContact O-N 3.19Å; A183-G187 PolarHBondContact O-N 3Å; A183-M188 WeakPolarHBondContact O-CB 3.4Å; A183-M188 PolarHBondContact O-N 3.49Å; A183-V190 HydrophobicContact CB-CB 3.96Å; A183-V190 HydrophobicContact CB-CG2 4.14Å
184L97.1Very high96Very high16 Ų1613.1 Ų13.18%0.0848%0.082CC..Hα-helixtrans-66.2-41.6176.2-65.2172.1000111.7V180 A186 G187 V190 I207 D211 R214 I215V180-L184 HydrophobicContact CG1-CD1 3.97Å; V180-L184 VanDerWaalsContact O-CG 3.27Å; V180-L184 WeakPolarHBondContact O-CG 3.27Å; V180-L184 PolarHBondContact O-N 3.3Å; L184-A186 PolarHBondContact O-N 3.46Å; L184-G187 WeakPolarHBondContact O-CA 3.45Å; L184-G187 PolarHBondContact O-N 2.71Å; L184-V190 HydrophobicContact CD2-CG1 4.03Å; L184-V190 HydrophobicContact CG-CG1 4.24Å; L184-I207 HydrophobicContact CD1-CD1 3.63Å; L184-I207 HydrophobicContact CD1-CG1 3.85Å; L184-I207 HydrophobicContact CD1-CG2 3.87Å; L184-D211 HydrophobicContact CD1-CB 4.26Å; L184-D211 HydrophobicContact CD2-CB 4.33Å; L184-R214 HydrophobicContact CD2-CB 3.68Å; L184-I215 HydrophobicContact CD1-CD1 3.83Å; L184-I215 HydrophobicContact CD1-CG1 4.02Å; L184-I215 HydrophobicContact CD2-CG1 4.09Å
185S96.1Very high95.7Very high77 Ų7714.2 Ų14.254%0.5389%0.088SC..Hα-helixtrans-62.8-24.5174.5-61.40000112.6E181 A182 G187E181-S185 VanDerWaalsContact O-CB 3.26Å; E181-S185 WeakPolarHBondContact O-CB 3.28Å; E181-S185 PolarHBondContact O-N 3.45Å; E181-S185 PolarHBondContact O-OG 3.35Å; A182-S185 PolarHBondContact O-N 2.95Å; S185-G187 VanDerWaalsContact C-N 3.29Å
186A97.6Very high95.6Very high6 Ų619.8 Ų19.85%0.0513%0.125CC..THydrogen-bonded Turntrans-82.6-3.2172.800000113.3P150 F153 L154 S167 A182 A183 L184 M188P150-A186 HydrophobicContact CB-CB 3.74Å; F153-A186 HydrophobicContact CB-CB 4.12Å; L154-A186 HydrophobicContact CD2-CB 3.9Å; L154-A186 HydrophobicContact CG-CB 4.01Å; S167-A186 WeakPolarHBondContact CB-O 3.37Å; S167-A186 PolarHBondContact OG-O 3.38Å; A182-A186 WeakPolarHBondContact O-CB 3.18Å; A182-A186 PolarHBondContact O-N 2.75Å; A183-A186 WeakPolarHBondContact O-CB 3.42Å; A183-A186 PolarHBondContact O-N 3.19Å; L184-A186 PolarHBondContact O-N 3.46Å; A186-M188 VanDerWaalsContact C-N 3.34Å; A186-M188 HydrophobicContact CB-CE 4.04Å; A186-M188 HydrophobicContact CB-CG 3.97Å; A186-M188 HydrophobicContact CB-SD 4.03Å
187G96.5Very high95.5Very high26 Ų2624.9 Ų24.927%0.26814%0.143SC..THydrogen-bonded Turntrans75.518.8-176.500000114.2S167 A183 L184 S185S167-G187 CarbonylContact C-O 3.31Å; S167-G187 WeakPolarHBondContact CB-O 3.33Å; A183-G187 PolarHBondContact O-N 3Å; L184-G187 WeakPolarHBondContact O-CA 3.45Å; L184-G187 PolarHBondContact O-N 2.71Å; S185-G187 VanDerWaalsContact C-N 3.29Å
188M97.9Very high95.5Very high1 Ų124.1 Ų24.11%0.00514%0.138CC..  trans-95.4163.1-174.1-58.3179.6176.800111.9I8 F153 L154 A157 V170 V172 A183 A186I8-M188 HydrophobicContact CD1-SD 4.4Å; F153-M188 HydrophobicContact CB-CE 4.17Å; F153-M188 HydrophobicContact CB-SD 3.88Å; L154-M188 HydrophobicContact CD2-CE 4.49Å; A157-M188 HydrophobicContact CB-CE 3.69Å; V170-M188 HydrophobicContact CB-CB 4.36Å; V170-M188 HydrophobicContact CB-CE 4.22Å; V170-M188 HydrophobicContact CB-CG 3.92Å; V170-M188 HydrophobicContact CB-SD 3.85Å; V170-M188 HydrophobicContact CG1-CE 4.14Å; V170-M188 HydrophobicContact CG1-CG 4.28Å; V170-M188 HydrophobicContact CG1-SD 3.57Å; V170-M188 VanDerWaalsContact CG1-SD 3.57Å; V170-M188 HydrophobicContact CG2-CE 4.2Å; V170-M188 HydrophobicContact CG2-SD 4.48Å; V172-M188 HydrophobicContact CG2-CB 4.12Å; V172-M188 HydrophobicContact CG2-SD 3.71Å; A183-M188 WeakPolarHBondContact O-CB 3.4Å; A183-M188 PolarHBondContact O-N 3.49Å; A186-M188 VanDerWaalsContact C-N 3.34Å; A186-M188 HydrophobicContact CB-CE 4.04Å; A186-M188 HydrophobicContact CB-CG 3.97Å; A186-M188 HydrophobicContact CB-SD 4.03Å
189H97.6Very high95.4Very high19 Ų1925.9 Ų25.99%0.08815%0.151CC..EExtended strand (participates in β ladder)trans-80.8149.6164.8-72.8-88.9000109.9T2 D168 V170 L171 V172 R214T2-H189 WeakPolarHBondContact CG2-CD2 3.38Å; T2-H189 WeakPolarHBondContact CG2-NE2 3.4Å; T2-H189 PolarHBondContact OG1-CE1 3.28Å; T2-H189 VanDerWaalsContact OG1-CE1 3.25Å; T2-H189 PolarHBondContact OG1-NE2 3.35Å; T2-H189 VanDerWaalsContact OG1-NE2 3.11Å; D168-H189 PolarHBondContact O-CD2 2.9Å; V170-H189 PolarHBondContact O-N 3.34Å; V170-H189 VanDerWaalsContact O-N 3.12Å; L171-H189 HydrophobicContact CD1-CB 3.69Å; V172-H189 PolarHBondContact N-O 2.91Å; H189-R214 PolarHBondContact NE2-NH1 2.89Å
190V98Very high94.9Very high0 Ų031.1 Ų31.10%019%0.185CC..EExtended strand (participates in β ladder)trans-135.6129.5-179.860.60000112.1V172 E174 V180 A183 L184 R214 I215 T216V172-V190 HydrophobicContact CB-CB 4.47Å; V172-V190 HydrophobicContact CB-CG2 4.33Å; V172-V190 CarbonylContact O-C 3.48Å; V172-V190 VanDerWaalsContact O-CA 3.26Å; V172-V190 WeakPolarHBondContact O-CA 3.38Å; E174-V190 HydrophobicContact CB-CG2 4.09Å; V180-V190 HydrophobicContact CG1-CG1 4.1Å; V180-V190 HydrophobicContact CG2-CG2 4.27Å; A183-V190 HydrophobicContact CB-CB 3.96Å; A183-V190 HydrophobicContact CB-CG2 4.14Å; L184-V190 HydrophobicContact CD2-CG1 4.03Å; L184-V190 HydrophobicContact CG-CG1 4.24Å; V190-R214 PolarHBondContact N-O 3.43Å; V190-I215 HydrophobicContact CG1-CB 4.26Å; V190-I215 HydrophobicContact CG1-CG1 3.86Å; V190-I215 HydrophobicContact CG1-CG2 4.25Å; V190-I215 WeakPolarHBondContact O-CA 3.44Å; V190-T216 PolarHBondContact O-N 3.5Å
191V98Very high94.2Very high0 Ų033.8 Ų33.80%021%0.213CC..EExtended strand (participates in β ladder)trans-90.7115.1162.2172.60000107.3L171 V172 F173 E174 I193 T216 L218 F224 F229L171-V191 HydrophobicContact CD1-CG2 4.01Å; L171-V191 HydrophobicContact CD2-CG2 4.17Å; L171-V191 HydrophobicContact CG-CG2 4.31Å; V172-V191 PolarHBondContact O-N 3.24Å; F173-V191 WeakPolarHBondContact CA-O 3.31Å; F173-V191 HydrophobicContact CD1-CB 3.67Å; F173-V191 HydrophobicContact CD1-CG1 3.63Å; F173-V191 HydrophobicContact CD1-CG2 4.35Å; F173-V191 HydrophobicContact CE1-CB 3.75Å; F173-V191 HydrophobicContact CE1-CG1 3.64Å; F173-V191 HydrophobicContact CE1-CG2 3.94Å; F173-V191 HydrophobicContact CG-CB 4.14Å; F173-V191 HydrophobicContact CZ-CB 4.26Å; F173-V191 HydrophobicContact CZ-CG2 4.05Å; E174-V191 PolarHBondContact N-O 2.97Å; V191-I193 HydrophobicContact CG1-CD1 4.09Å; V191-I193 HydrophobicContact CG1-CG1 3.95Å; V191-T216 CarbonylContact C-O 3.41Å; V191-T216 VanDerWaalsContact CA-O 3.26Å; V191-T216 WeakPolarHBondContact CA-O 3.45Å; V191-L218 HydrophobicContact CG1-CD1 3.68Å; V191-L218 HydrophobicContact CG1-CG 4.12Å; V191-F224 HydrophobicContact CG2-CD2 3.87Å; V191-F224 HydrophobicContact CG2-CE2 3.67Å; V191-F229 HydrophobicContact CG2-CE2 4.33Å; V191-F229 HydrophobicContact CG2-CZ 3.99Å
192W97.1Very high93.6Very high3 Ų335.1 Ų35.11%0.01122%0.221CC..EExtended strand (participates in β ladder)trans-101.8122.1-179.9-179.534000110.8E174 D175 V180 P194 E198 N202 F203 I215 T216 R217 L218E174-W192 CarbonylContact O-C 3.43Å; E174-W192 WeakPolarHBondContact O-CA 3.42Å; D175-W192 PolarHBondContact O-NE1 3.39Å; V180-W192 HydrophobicContact CG2-CB 3.78Å; V180-W192 HydrophobicContact CG2-CD2 3.97Å; V180-W192 HydrophobicContact CG2-CG 3.43Å; V180-W192 VanDerWaalsContact CG2-CG 3.43Å; W192-P194 HydrophobicContact CD2-CB 4.44Å; W192-P194 HydrophobicContact CD2-CG 4.25Å; W192-P194 HydrophobicContact CZ2-CB 3.66Å; W192-P194 HydrophobicContact CZ2-CG 4.03Å; W192-P194 WeakPolarHBondContact O-CD 3.44Å; W192-E198 HydrophobicContact CH2-CG 4.07Å; W192-E198 HydrophobicContact CZ2-CG 4.17Å; W192-N202 WeakPolarHBondContact CH2-O 3.23Å; W192-N202 WeakPolarHBondContact CZ3-O 3.47Å; W192-F203 HydrophobicContact CE3-CD1 4.15Å; W192-F203 HydrophobicContact CE3-CE1 4.41Å; W192-F203 AromaticContact CZ3-CD1 3.92Å; W192-F203 HydrophobicContact CZ3-CD1 3.92Å; W192-F203 HydrophobicContact CZ3-CE1 4.43Å; W192-I215 HydrophobicContact CB-CG2 4Å; W192-I215 HydrophobicContact CE3-CG2 4.43Å; W192-T216 PolarHBondContact N-O 3.18Å; W192-R217 HydrophobicContact CE3-CG 4.15Å; W192-R217 WeakPolarHBondContact O-CA 3.31Å; W192-L218 PolarHBondContact O-N 3.19Å
193I96.9Very high93.1Very high16 Ų1638.2 Ų38.28%0.08224%0.235CC..  trans-121.677.7-179.1-55.7178.4000107.9L14 F173 E174 D175 V191 L218 N219 M221L14-I193 HydrophobicContact CD1-CB 4.1Å; L14-I193 HydrophobicContact CD1-CD1 3.99Å; L14-I193 HydrophobicContact CD1-CG1 4.39Å; F173-I193 HydrophobicContact CD1-CD1 4.27Å; E174-I193 PolarHBondContact O-N 3.42Å; D175-I193 VanDerWaalsContact CA-O 3.25Å; D175-I193 WeakPolarHBondContact CA-O 3.38Å; D175-I193 WeakPolarHBondContact CB-O 3.18Å; V191-I193 HydrophobicContact CG1-CD1 4.09Å; V191-I193 HydrophobicContact CG1-CG1 3.95Å; I193-L218 HydrophobicContact CG1-CB 4.26Å; I193-N219 WeakPolarHBondContact CG2-O 3.45Å; I193-M221 HydrophobicContact CD1-CB 4.2Å; I193-M221 HydrophobicContact CD1-CG 3.29Å
194P94.6Very high92.2Very high10 Ų1039 Ų397%0.06524%0.24CC..  trans-70.2165.3-177.227.9-33.1000112.7W192 E198 R217W192-P194 HydrophobicContact CD2-CB 4.44Å; W192-P194 HydrophobicContact CD2-CG 4.25Å; W192-P194 HydrophobicContact CZ2-CB 3.66Å; W192-P194 HydrophobicContact CZ2-CG 4.03Å; W192-P194 WeakPolarHBondContact O-CD 3.44Å; P194-E198 HydrophobicContact CB-CB 3.71Å; P194-E198 HydrophobicContact CB-CG 4.02Å; P194-E198 HydrophobicContact CG-CB 4.1Å; P194-E198 HydrophobicContact CG-CG 4.29Å; P194-R217 HydrophobicContact CG-CG 4.48Å
195D92.4Very high91.4Very high23 Ų2348.6 Ų48.612%0.12328%0.281CS..  trans-45.9135.9164.2-171.2-64.1000110.4Y39 K42 R197 E198Y39-D195 HydrophobicContact CE2-CB 3.57Å; K42-D195 IonicContact NZ-OD2 2.75Å; K42-D195 PolarHBondContact NZ-OD2 2.83Å; D195-R197 PolarHBondContact O-N 3.01Å; D195-R197 WeakPolarHBondContact OD1-CB 3.33Å; D195-R197 WeakPolarHBondContact OD1-CG 3.39Å; D195-R197 IonicContact OD1-CZ 3.86Å; D195-R197 PolarHBondContact OD1-N 3.2Å; D195-R197 IonicContact OD1-NE 3.55Å; D195-R197 PolarHBondContact OD1-NE 3.38Å; D195-R197 IonicContact OD1-NH2 2.7Å; D195-R197 IonicContact OD2-CZ 3.56Å; D195-R197 IonicContact OD2-NE 2.61Å; D195-R197 IonicContact OD2-NH2 3.65Å; D195-R197 PolarHBondContact OD2-NH2 3.11Å; D195-E198 VanDerWaalsContact O-CB 3.32Å; D195-E198 WeakPolarHBondContact O-CB 3.29Å; D195-E198 PolarHBondContact O-N 2.95Å
196P92.3Very high90.7Very high126 Ų12648.5 Ų48.582%0.81828%0.281SS*.THydrogen-bonded Turntrans-56.2-19.4-178.2-27.935.1000115E198P196-E198 VanDerWaalsContact C-N 3.33Å
197R91.8Very high90.1Very high112 Ų11249.3 Ų49.342%0.42328%0.284SS..THydrogen-bonded Turntrans-80-11175.8-63.9169.4-69.4-173.5-6.6113.4Y39 D195 P199Y39-R197 HydrophobicContact CD1-CB 3.78Å; Y39-R197 HydrophobicContact CD2-CB 3.81Å; Y39-R197 HydrophobicContact CE1-CB 4.14Å; Y39-R197 HydrophobicContact CE2-CB 4.17Å; Y39-R197 HydrophobicContact CG-CB 3.61Å; D195-R197 PolarHBondContact O-N 3.01Å; D195-R197 WeakPolarHBondContact OD1-CB 3.33Å; D195-R197 WeakPolarHBondContact OD1-CG 3.39Å; D195-R197 IonicContact OD1-CZ 3.86Å; D195-R197 PolarHBondContact OD1-N 3.2Å; D195-R197 IonicContact OD1-NE 3.55Å; D195-R197 PolarHBondContact OD1-NE 3.38Å; D195-R197 IonicContact OD1-NH2 2.7Å; D195-R197 IonicContact OD2-CZ 3.56Å; D195-R197 IonicContact OD2-NE 2.61Å; D195-R197 IonicContact OD2-NH2 3.65Å; D195-R197 PolarHBondContact OD2-NH2 3.11Å; R197-P199 WeakPolarHBondContact O-CD 3.44Å
198E91.5Very high89.6Confident4 Ų450.4 Ų50.42%0.01929%0.287CS..SBendtrans-68.3121.3172.4-174.557.4-142.700110.1Y39 K43 W192 P194 D195 P196 N202 R217Y39-E198 HydrophobicContact CE1-CB 4.35Å; Y39-E198 WeakPolarHBondContact OH-CB 3.4Å; Y39-E198 PolarHBondContact OH-OE2 3.37Å; Y39-E198 VanDerWaalsContact OH-OE2 3.11Å; K43-E198 WeakPolarHBondContact CD-OE2 3.3Å; K43-E198 WeakPolarHBondContact CE-OE2 3.35Å; K43-E198 IonicContact NZ-OE1 2.83Å; K43-E198 PolarHBondContact NZ-OE1 3.46Å; K43-E198 IonicContact NZ-OE2 2.72Å; K43-E198 PolarHBondContact NZ-OE2 3.42Å; W192-E198 HydrophobicContact CH2-CG 4.07Å; W192-E198 HydrophobicContact CZ2-CG 4.17Å; P194-E198 HydrophobicContact CB-CB 3.71Å; P194-E198 HydrophobicContact CB-CG 4.02Å; P194-E198 HydrophobicContact CG-CB 4.1Å; P194-E198 HydrophobicContact CG-CG 4.29Å; D195-E198 VanDerWaalsContact O-CB 3.32Å; D195-E198 WeakPolarHBondContact O-CB 3.29Å; D195-E198 PolarHBondContact O-N 2.95Å; P196-E198 VanDerWaalsContact C-N 3.33Å; E198-N202 WeakPolarHBondContact OE1-CB 3.46Å; E198-N202 PolarHBondContact OE1-ND2 3.09Å; E198-R217 PolarHBondContact O-NH2 3.32Å
199P89Confident88.9Confident61 Ų6155.5 Ų55.540%0.39632%0.323SS..PPolyproline II helixtrans-60.1143.9-178.9-24.133.4000113R197 N202 R217R197-P199 WeakPolarHBondContact O-CD 3.44Å; P199-N202 PolarHBondContact O-N 3.02Å; P199-R217 PolarHBondContact O-NH2 3.35Å
200P85.6Confident88.2Confident109 Ų10960.8 Ų60.871%0.70835%0.351SS*.THydrogen-bonded Turntrans-62.5141.4176.227.2-34.2000111.5N202P200-N202 VanDerWaalsContact C-N 3.26Å; P200-N202 PolarHBondContact O-N 3.34Å
201G79.8Confident87.8Confident57 Ų5763.1 Ų63.159%0.58836%0.363SS*.THydrogen-bonded Turntrans81.3-7.4177.400000115.5
202N82.9Confident87.4Confident71 Ų7166.1 Ų66.138%0.3838%0.379SS..  trans-74.6127.4169.6-78.4-10.1000109.9W192 E198 P199 P200W192-N202 WeakPolarHBondContact CH2-O 3.23Å; W192-N202 WeakPolarHBondContact CZ3-O 3.47Å; E198-N202 WeakPolarHBondContact OE1-CB 3.46Å; E198-N202 PolarHBondContact OE1-ND2 3.09Å; P199-N202 PolarHBondContact O-N 3.02Å; P200-N202 VanDerWaalsContact C-N 3.26Å; P200-N202 PolarHBondContact O-N 3.34Å
203F84.3Confident87.2Confident66 Ų6670.8 Ų70.829%0.28941%0.412SS..  trans-112.9156.1163.7-64.5-81.5000109.3W192 K205 I212 I215W192-F203 HydrophobicContact CE3-CD1 4.15Å; W192-F203 HydrophobicContact CE3-CE1 4.41Å; W192-F203 AromaticContact CZ3-CD1 3.92Å; W192-F203 HydrophobicContact CZ3-CD1 3.92Å; W192-F203 HydrophobicContact CZ3-CE1 4.43Å; F203-K205 PolarHBondContact O-N 3.04Å; F203-I212 HydrophobicContact CD2-CD1 4.45Å; F203-I212 HydrophobicContact CD2-CG2 4.36Å; F203-I212 HydrophobicContact CE2-CG2 3.95Å; F203-I212 HydrophobicContact CZ-CG2 4.04Å; F203-I215 HydrophobicContact CD1-CD1 3.69Å; F203-I215 HydrophobicContact CD1-CG2 4.2Å; F203-I215 HydrophobicContact CE1-CB 4.04Å; F203-I215 HydrophobicContact CE1-CD1 4.03Å; F203-I215 HydrophobicContact CE1-CG2 3.74Å
204P78.9Confident87.1Confident17 Ų1773 Ų7311%0.1142%0.419CS..  trans-49.4128169.4-25.530.1000111.3P177 E181 S206 I207P177-P204 HydrophobicContact CB-CB 4.45Å; P177-P204 HydrophobicContact CB-CG 3.86Å; E181-P204 HydrophobicContact CG-CB 4.28Å; E181-P204 WeakPolarHBondContact OE1-CB 3.37Å; P204-S206 PolarHBondContact O-N 2.8Å; P204-S206 VanDerWaalsContact O-N 3.13Å; P204-I207 HydrophobicContact CB-CD1 3.69Å; P204-I207 HydrophobicContact CB-CG1 3.99Å; P204-I207 HydrophobicContact CG-CD1 3.6Å; P204-I207 HydrophobicContact CG-CG1 4.44Å; P204-I207 WeakPolarHBondContact O-CB 3.33Å; P204-I207 PolarHBondContact O-N 3.28Å
205K79.8Confident87.1Confident216 Ų21673.2 Ų73.294%0.93942%0.419SS*.THydrogen-bonded Turntrans-64.8-19.2-171.5-67.1-177.1179178.70114.1F203 I207F203-K205 PolarHBondContact O-N 3.04Å; K205-I207 VanDerWaalsContact C-N 3.29Å
206S83Confident87.3Confident76 Ų7674 Ų7453%0.53143%0.425SS..THydrogen-bonded Turntrans-69.9-22.7174.946.30000113E181 P204E181-S206 PolarHBondContact OE1-OG 3.28Å; E181-S206 PolarHBondContact OE2-OG 3.46Å; P204-S206 PolarHBondContact O-N 2.8Å; P204-S206 VanDerWaalsContact O-N 3.13Å
207I84.8Confident87.4Confident23 Ų2371.1 Ų71.112%0.11840%0.398CS..SBendtrans-77.4128.8-174.3-64.7172.7000110.1V180 E181 L184 P204 K205 D211 I212 I215V180-I207 HydrophobicContact CG1-CD1 3.73Å; E181-I207 HydrophobicContact CG-CG1 4.19Å; L184-I207 HydrophobicContact CD1-CD1 3.63Å; L184-I207 HydrophobicContact CD1-CG1 3.85Å; L184-I207 HydrophobicContact CD1-CG2 3.87Å; P204-I207 HydrophobicContact CB-CD1 3.69Å; P204-I207 HydrophobicContact CB-CG1 3.99Å; P204-I207 HydrophobicContact CG-CD1 3.6Å; P204-I207 HydrophobicContact CG-CG1 4.44Å; P204-I207 WeakPolarHBondContact O-CB 3.33Å; P204-I207 PolarHBondContact O-N 3.28Å; K205-I207 VanDerWaalsContact C-N 3.29Å; I207-D211 HydrophobicContact CG2-CB 3.87Å; I207-I212 HydrophobicContact CG2-CG1 4.06Å; I207-I215 HydrophobicContact CD1-CD1 3.77Å; I207-I215 HydrophobicContact CG2-CD1 4.1Å
208S84.9Confident87.6Confident48 Ų4867.1 Ų67.134%0.33639%0.385SS..  trans-69.6153.1177.282.50000111.2I210 D211 I212S208-I210 PolarHBondContact O-N 3.29Å; S208-I210 VanDerWaalsContact O-N 3.13Å; S208-I210 WeakPolarHBondContact OG-CG2 3.44Å; S208-D211 PolarHBondContact O-N 3.43Å; S208-D211 VanDerWaalsContact O-N 3.1Å; S208-D211 PolarHBondContact OG-N 3.21Å; S208-D211 PolarHBondContact OG-OD2 2.86Å; S208-I212 PolarHBondContact O-N 3.06Å
209S83.5Confident87.8Confident109 Ų10972.5 Ų72.576%0.76241%0.414SS*.THydrogen-bonded Turntrans-60.7-24.7178.354.50000113.6
210I83.4Confident88.1Confident130 Ų13071 Ų7167%0.66741%0.405SS*.THydrogen-bonded Turntrans-75.5-34.3178.6-157155.5000111.4S208 S213S208-I210 PolarHBondContact O-N 3.29Å; S208-I210 VanDerWaalsContact O-N 3.13Å; S208-I210 WeakPolarHBondContact OG-CG2 3.44Å; I210-S213 PolarHBondContact O-OG 2.96Å
211D90.1Very high88.7Confident49 Ų4966 Ų6626%0.26237%0.372SS..G310 helixtrans-78-21.4-178.8-63.1-39.6000113.2L184 I207 S208 S213 R214L184-D211 HydrophobicContact CD1-CB 4.26Å; L184-D211 HydrophobicContact CD2-CB 4.33Å; I207-D211 HydrophobicContact CG2-CB 3.87Å; S208-D211 PolarHBondContact O-N 3.43Å; S208-D211 VanDerWaalsContact O-N 3.1Å; S208-D211 PolarHBondContact OG-N 3.21Å; S208-D211 PolarHBondContact OG-OD2 2.86Å; D211-S213 PolarHBondContact O-N 3.23Å; D211-S213 VanDerWaalsContact O-N 3.09Å; D211-R214 WeakPolarHBondContact O-CB 3.5Å; D211-R214 PolarHBondContact O-N 3.01Å
212I89.9Confident89.5Confident63 Ų6366.3 Ų66.332%0.32337%0.365SS..G310 helixtrans-54.1-33.4175.1-66175.4000111.1F203 I207 S208 R214 I215F203-I212 HydrophobicContact CD2-CD1 4.45Å; F203-I212 HydrophobicContact CD2-CG2 4.36Å; F203-I212 HydrophobicContact CE2-CG2 3.95Å; F203-I212 HydrophobicContact CZ-CG2 4.04Å; I207-I212 HydrophobicContact CG2-CG1 4.06Å; S208-I212 PolarHBondContact O-N 3.06Å; I212-R214 PolarHBondContact O-N 3.37Å; I212-R214 VanDerWaalsContact O-N 3.14Å; I212-I215 PolarHBondContact O-N 2.84Å
213S91.7Very high90.1Very high101 Ų10166.3 Ų66.371%0.70637%0.365SS*.G310 helixtrans-64.6-15.3178.567.50000114.4I210 D211I210-S213 PolarHBondContact O-OG 2.96Å; D211-S213 PolarHBondContact O-N 3.23Å; D211-S213 VanDerWaalsContact O-N 3.09Å
214R94.6Very high90.8Very high61 Ų6163.4 Ų63.423%0.2335%0.352CS..G310 helixtrans-92.7-2.5176.3-64.3178.9171.1-82.60.1113.3D168 L184 H189 V190 D211 I212D168-R214 IonicContact OD1-CZ 3.2Å; D168-R214 IonicContact OD1-NH1 2.71Å; D168-R214 PolarHBondContact OD1-NH1 3.26Å; D168-R214 IonicContact OD1-NH2 2.75Å; D168-R214 PolarHBondContact OD1-NH2 3.46Å; L184-R214 HydrophobicContact CD2-CB 3.68Å; H189-R214 PolarHBondContact NE2-NH1 2.89Å; V190-R214 PolarHBondContact N-O 3.43Å; D211-R214 WeakPolarHBondContact O-CB 3.5Å; D211-R214 PolarHBondContact O-N 3.01Å; I212-R214 PolarHBondContact O-N 3.37Å; I212-R214 VanDerWaalsContact O-N 3.14Å
215I95.3Very high91.6Very high15 Ų1567.8 Ų67.88%0.07737%0.37CS..EExtended strand (participates in β ladder)trans-104.5123.4-177.4-49171000110.1V180 L184 V190 W192 F203 I207 I212V180-I215 HydrophobicContact CG1-CD1 4.08Å; V180-I215 HydrophobicContact CG1-CG1 4.41Å; L184-I215 HydrophobicContact CD1-CD1 3.83Å; L184-I215 HydrophobicContact CD1-CG1 4.02Å; L184-I215 HydrophobicContact CD2-CG1 4.09Å; V190-I215 HydrophobicContact CG1-CB 4.26Å; V190-I215 HydrophobicContact CG1-CG1 3.86Å; V190-I215 HydrophobicContact CG1-CG2 4.25Å; V190-I215 WeakPolarHBondContact O-CA 3.44Å; W192-I215 HydrophobicContact CB-CG2 4Å; W192-I215 HydrophobicContact CE3-CG2 4.43Å; F203-I215 HydrophobicContact CD1-CD1 3.69Å; F203-I215 HydrophobicContact CD1-CG2 4.2Å; F203-I215 HydrophobicContact CE1-CB 4.04Å; F203-I215 HydrophobicContact CE1-CD1 4.03Å; F203-I215 HydrophobicContact CE1-CG2 3.74Å; I207-I215 HydrophobicContact CD1-CD1 3.77Å; I207-I215 HydrophobicContact CG2-CD1 4.1Å; I212-I215 PolarHBondContact O-N 2.84Å
216T95.4Very high92.4Very high41 Ų4157.5 Ų57.525%0.25233%0.325SS..EExtended strand (participates in β ladder)trans-108.2109.3166.9-65.80000108.7V190 V191 W192 L218 F229V190-T216 PolarHBondContact O-N 3.5Å; V191-T216 CarbonylContact C-O 3.41Å; V191-T216 VanDerWaalsContact CA-O 3.26Å; V191-T216 WeakPolarHBondContact CA-O 3.45Å; W192-T216 PolarHBondContact N-O 3.18Å; T216-L218 HydrophobicContact CG2-CD2 4.1Å; T216-L218 HydrophobicContact CG2-CG 4.2Å; T216-F229 HydrophobicContact CG2-CZ 4.34Å; T216-F229 WeakPolarHBondContact OG1-CZ 3.41Å
217R95.4Very high93.1Very high65 Ų6558 Ų5825%0.24532%0.319CS..EExtended strand (participates in β ladder)trans-87.4127.4178.3-172.7178.6179.9-85.32.6110.7W192 P194 E198 P199W192-R217 HydrophobicContact CE3-CG 4.15Å; W192-R217 WeakPolarHBondContact O-CA 3.31Å; P194-R217 HydrophobicContact CG-CG 4.48Å; E198-R217 PolarHBondContact O-NH2 3.32Å; P199-R217 PolarHBondContact O-NH2 3.35Å
218L96.4Very high93.6Very high27 Ų2762 Ų6214%0.14134%0.337CS..  trans-127.3167.1176.5-57.9178.3000110.5V191 W192 I193 T216 D223 F224V191-L218 HydrophobicContact CG1-CD1 3.68Å; V191-L218 HydrophobicContact CG1-CG 4.12Å; W192-L218 PolarHBondContact O-N 3.19Å; I193-L218 HydrophobicContact CG1-CB 4.26Å; T216-L218 HydrophobicContact CG2-CD2 4.1Å; T216-L218 HydrophobicContact CG2-CG 4.2Å; L218-D223 HydrophobicContact CB-CB 4.27Å; L218-D223 HydrophobicContact CD1-CB 4.42Å; L218-D223 HydrophobicContact CD2-CB 4.19Å; L218-F224 HydrophobicContact CD1-CB 3.8Å; L218-F224 HydrophobicContact CD1-CD2 4.02Å; L218-F224 HydrophobicContact CD1-CG 4.43Å
219N95.2Very high94.2Very high117 Ų11760.2 Ų60.263%0.62632%0.323SS*.SBendtrans-90.6-30.4175.4-55-55.2000112.3I193 D223I193-N219 WeakPolarHBondContact CG2-O 3.45Å; N219-D223 PolarHBondContact N-OD2 3.28Å
220C95.4Very high94.8Very high31 Ų3156.9 Ų56.921%0.20931%0.306CS..SBendtrans-154.7171.4174.163.60000110.4P90 S222 D223P90-C220 HydrophobicContact CB-CB 4.38Å; C220-S222 VanDerWaalsContact C-N 3.26Å; C220-S222 PolarHBondContact O-N 3.13Å; C220-D223 PolarHBondContact O-N 3.48Å
221M97.7Very high95.5Very high3 Ų351.1 Ų51.12%0.01528%0.276CS..G310 helixtrans-69.5-23.5179.5-80.5-175.1-87.700112.8F9 L14 P90 A92 L95 F173 I193 D223 F224F9-M221 HydrophobicContact CD1-SD 4.3Å; F9-M221 HydrophobicContact CE1-SD 4.11Å; L14-M221 HydrophobicContact CD1-CE 4.13Å; L14-M221 HydrophobicContact CG-CE 4.06Å; L14-M221 WeakPolarHBondContact O-CE 3.42Å; P90-M221 PolarHBondContact O-N 2.79Å; A92-M221 VanDerWaalsContact CA-CE 3.47Å; A92-M221 HydrophobicContact CB-CE 3.26Å; A92-M221 HydrophobicContact CB-SD 4.2Å; L95-M221 HydrophobicContact CD2-CB 4.43Å; L95-M221 HydrophobicContact CD2-CG 4.38Å; L95-M221 HydrophobicContact CD2-SD 4.2Å; F173-M221 HydrophobicContact CD1-CG 4.14Å; F173-M221 HydrophobicContact CD1-SD 4.28Å; F173-M221 HydrophobicContact CE1-CG 4.4Å; I193-M221 HydrophobicContact CD1-CB 4.2Å; I193-M221 HydrophobicContact CD1-CG 3.29Å; M221-D223 PolarHBondContact O-N 3.19Å; M221-F224 WeakPolarHBondContact O-CB 3.45Å; M221-F224 PolarHBondContact O-N 3.32Å
222S96.7Very high95.8Very high63 Ų6350.7 Ų50.744%0.44128%0.276SS..G310 helixtrans-64.3-21.7173.7-56.60000113.6P90 G91 C220 F224P90-S222 PolarHBondContact O-N 2.95Å; G91-S222 VanDerWaalsContact CA-OG 3.26Å; G91-S222 WeakPolarHBondContact CA-OG 3.1Å; G91-S222 PolarHBondContact N-OG 3.13Å; C220-S222 VanDerWaalsContact C-N 3.26Å; C220-S222 PolarHBondContact O-N 3.13Å; S222-F224 PolarHBondContact O-N 2.93Å
223D96.7Very high96.1Very high72 Ų7256.4 Ų56.439%0.38529%0.294SS..G310 helixtrans-78.6-9175.1-69-25.2000112.5L218 N219 C220 M221L218-D223 HydrophobicContact CB-CB 4.27Å; L218-D223 HydrophobicContact CD1-CB 4.42Å; L218-D223 HydrophobicContact CD2-CB 4.19Å; N219-D223 PolarHBondContact N-OD2 3.28Å; C220-D223 PolarHBondContact O-N 3.48Å; M221-D223 PolarHBondContact O-N 3.19Å
224F97.7Very high96.2Very high4 Ų453.9 Ų53.92%0.01827%0.27CS..  trans-70.2135.8-175.4-178.6-109.6000111.7L95 L171 F173 V191 L218 M221 S222 P226 F229 L231L95-F224 HydrophobicContact CD1-CD1 3.65Å; L95-F224 HydrophobicContact CD1-CE1 3.96Å; L95-F224 HydrophobicContact CD2-CD1 3.92Å; L95-F224 HydrophobicContact CD2-CE1 4.48Å; L95-F224 HydrophobicContact CD2-CG 4.41Å; L95-F224 HydrophobicContact CG-CD1 4.47Å; L171-F224 HydrophobicContact CD2-CE2 3.81Å; L171-F224 HydrophobicContact CD2-CZ 3.6Å; F173-F224 HydrophobicContact CE1-CB 4.42Å; F173-F224 HydrophobicContact CE1-CD1 4.35Å; F173-F224 AromaticContact CE1-CD2 3.84Å; F173-F224 HydrophobicContact CE1-CD2 3.84Å; F173-F224 HydrophobicContact CE1-CE2 4.17Å; F173-F224 AromaticContact CE1-CG 3.94Å; F173-F224 HydrophobicContact CE1-CG 3.94Å; F173-F224 HydrophobicContact CE2-CZ 4.44Å; F173-F224 AromaticContact CZ-CD1 3.93Å; F173-F224 HydrophobicContact CZ-CD1 3.93Å; F173-F224 AromaticContact CZ-CD2 3.74Å; F173-F224 HydrophobicContact CZ-CD2 3.74Å; F173-F224 AromaticContact CZ-CE1 3.8Å; F173-F224 HydrophobicContact CZ-CE1 3.8Å; F173-F224 AromaticContact CZ-CE2 3.62Å; F173-F224 HydrophobicContact CZ-CE2 3.62Å; F173-F224 AromaticContact CZ-CG 3.9Å; F173-F224 HydrophobicContact CZ-CG 3.9Å; F173-F224 AromaticContact CZ-CZ 3.66Å; F173-F224 HydrophobicContact CZ-CZ 3.66Å; V191-F224 HydrophobicContact CG2-CD2 3.87Å; V191-F224 HydrophobicContact CG2-CE2 3.67Å; L218-F224 HydrophobicContact CD1-CB 3.8Å; L218-F224 HydrophobicContact CD1-CD2 4.02Å; L218-F224 HydrophobicContact CD1-CG 4.43Å; M221-F224 WeakPolarHBondContact O-CB 3.45Å; M221-F224 PolarHBondContact O-N 3.32Å; S222-F224 PolarHBondContact O-N 2.93Å; F224-P226 HydrophobicContact CD1-CG 3.91Å; F224-P226 HydrophobicContact CE1-CB 3.99Å; F224-P226 HydrophobicContact CE1-CG 3.78Å; F224-P226 WeakPolarHBondContact O-CD 3.49Å; F224-F229 HydrophobicContact CD2-CE2 4.28Å; F224-F229 AromaticContact CE2-CD2 3.48Å; F224-F229 HydrophobicContact CE2-CD2 3.48Å; F224-F229 VanDerWaalsContact CE2-CD2 3.48Å; F224-F229 AromaticContact CE2-CE2 3.39Å; F224-F229 HydrophobicContact CE2-CE2 3.39Å; F224-F229 HydrophobicContact CE2-CG 4.41Å; F224-F229 HydrophobicContact CE2-CZ 4.25Å; F224-F229 AromaticContact CZ-CD2 3.7Å; F224-F229 HydrophobicContact CZ-CD2 3.7Å; F224-F229 HydrophobicContact CZ-CE2 4.11Å; F224-F229 HydrophobicContact CZ-CG 4.37Å; F224-L231 HydrophobicContact CE1-CD1 4.4Å; F224-L231 HydrophobicContact CZ-CD1 4.24Å
225K96.7Very high95.8Very high110 Ų11058.4 Ų58.448%0.47829%0.294SS..  trans-116.494.4179.3-68.3-176.2-177.1-179.90109.8E227 Q228K225-E227 PolarHBondContact O-N 3.21Å; K225-E227 VanDerWaalsContact O-N 3.12Å; K225-Q228 HydrophobicContact CB-CG 3.85Å; K225-Q228 WeakPolarHBondContact O-CB 3.3Å; K225-Q228 PolarHBondContact O-N 3.15Å
226P97.2Very high94.6Very high0 Ų064.6 Ų64.60%033%0.327CS..G310 helixtrans-51.9-37.7-174.4-2834.2000114F224 Q228 F229 L231 P232 F234F224-P226 HydrophobicContact CD1-CG 3.91Å; F224-P226 HydrophobicContact CE1-CB 3.99Å; F224-P226 HydrophobicContact CE1-CG 3.78Å; F224-P226 WeakPolarHBondContact O-CD 3.49Å; P226-Q228 PolarHBondContact O-N 2.67Å; P226-Q228 VanDerWaalsContact O-N 3.15Å; P226-F229 PolarHBondContact O-N 3Å; P226-L231 CarbonylContact C-O 3.58Å; P226-L231 HydrophobicContact CB-CB 3.7Å; P226-L231 WeakPolarHBondContact O-CB 3.37Å; P226-L231 PolarHBondContact O-N 3.45Å; P226-P232 WeakPolarHBondContact CB-O 3.38Å; P226-F234 HydrophobicContact CG-CD2 3.92Å; P226-F234 HydrophobicContact CG-CE2 3.75Å; P226-F234 HydrophobicContact CG-CZ 4.37Å
227E95.9Very high92.8Very high86 Ų8669.9 Ų69.940%0.40235%0.354SS..G310 helixtrans-63.6-22.2-17769.8-79.2-175.300113.7M1 K225 F229 G230 L231 R233M1-E227 WeakPolarHBondContact CE-O 3.12Å; K225-E227 PolarHBondContact O-N 3.21Å; K225-E227 VanDerWaalsContact O-N 3.12Å; E227-F229 PolarHBondContact O-N 3Å; E227-G230 PolarHBondContact O-N 3.18Å; E227-L231 WeakPolarHBondContact CA-O 3.39Å; E227-L231 PolarHBondContact N-O 2.67Å; E227-R233 HydrophobicContact CB-CB 4.44Å
228Q95.6Very high90Very high106 Ų10675.5 Ų75.550%0.49540%0.403SS..G310 helixtrans-65.8-21174.6-64.5-175.9-21.500112.5K225 P226K225-Q228 HydrophobicContact CB-CG 3.85Å; K225-Q228 WeakPolarHBondContact O-CB 3.3Å; K225-Q228 PolarHBondContact O-N 3.15Å; P226-Q228 PolarHBondContact O-N 2.67Å; P226-Q228 VanDerWaalsContact O-N 3.15Å
229F97.1Very high89.7Confident12 Ų1278 Ų785%0.05342%0.417CS..G310 helixtrans-110.29.5-179-66.4-90.8000112.8T2 V4 L171 V191 T216 F224 P226 E227 L231T2-F229 CarbonylContact O-C 3.56Å; T2-F229 VanDerWaalsContact O-C 3.31Å; T2-F229 VanDerWaalsContact O-O 3.05Å; V4-F229 HydrophobicContact CB-CB 4.21Å; V4-F229 WeakPolarHBondContact CB-O 3.22Å; V4-F229 HydrophobicContact CG2-CB 3.78Å; V4-F229 HydrophobicContact CG2-CD1 3.92Å; V4-F229 HydrophobicContact CG2-CG 4.32Å; V4-F229 PolarHBondContact N-O 2.85Å; L171-F229 HydrophobicContact CD1-CD1 3.75Å; L171-F229 HydrophobicContact CD1-CE1 3.45Å; L171-F229 VanDerWaalsContact CD1-CE1 3.45Å; L171-F229 HydrophobicContact CD1-CZ 4.09Å; L171-F229 HydrophobicContact CD2-CB 4.39Å; L171-F229 HydrophobicContact CD2-CD1 3.89Å; L171-F229 HydrophobicContact CD2-CD2 4.26Å; L171-F229 HydrophobicContact CD2-CE1 4.16Å; L171-F229 HydrophobicContact CD2-CG 3.92Å; L171-F229 HydrophobicContact CD2-CZ 4.45Å; L171-F229 HydrophobicContact CG-CD1 4.42Å; L171-F229 HydrophobicContact CG-CE1 4.46Å; V191-F229 HydrophobicContact CG2-CE2 4.33Å; V191-F229 HydrophobicContact CG2-CZ 3.99Å; T216-F229 HydrophobicContact CG2-CZ 4.34Å; T216-F229 WeakPolarHBondContact OG1-CZ 3.41Å; F224-F229 HydrophobicContact CD2-CE2 4.28Å; F224-F229 AromaticContact CE2-CD2 3.48Å; F224-F229 HydrophobicContact CE2-CD2 3.48Å; F224-F229 VanDerWaalsContact CE2-CD2 3.48Å; F224-F229 AromaticContact CE2-CE2 3.39Å; F224-F229 HydrophobicContact CE2-CE2 3.39Å; F224-F229 HydrophobicContact CE2-CG 4.41Å; F224-F229 HydrophobicContact CE2-CZ 4.25Å; F224-F229 AromaticContact CZ-CD2 3.7Å; F224-F229 HydrophobicContact CZ-CD2 3.7Å; F224-F229 HydrophobicContact CZ-CE2 4.11Å; F224-F229 HydrophobicContact CZ-CG 4.37Å; P226-F229 PolarHBondContact O-N 3Å; E227-F229 PolarHBondContact O-N 3Å; F229-L231 HydrophobicContact CB-CD1 4.35Å; F229-L231 HydrophobicContact CB-CG 4.36Å; F229-L231 PolarHBondContact O-N 3.43Å
230G96.6Very high89.4Confident39 Ų3975.9 Ų75.940%0.40241%0.406SS..THydrogen-bonded Turntrans7214.7-174.600000114E227E227-G230 PolarHBondContact O-N 3.18Å
231L97.6Very high89.1Confident8 Ų878.4 Ų78.44%0.04242%0.416CS..SBendtrans-87158.2173-62.9171.1000110.5V4 V7 L99 I104 L171 F224 P226 E227 F229 R233V4-L231 HydrophobicContact CB-CD1 4.42Å; V4-L231 HydrophobicContact CB-CD2 4.22Å; V4-L231 HydrophobicContact CB-CG 4.18Å; V4-L231 HydrophobicContact CG1-CD1 4.13Å; V4-L231 HydrophobicContact CG1-CD2 4.04Å; V4-L231 HydrophobicContact CG1-CG 4.25Å; V7-L231 HydrophobicContact CG2-CD1 4.08Å; L99-L231 HydrophobicContact CD2-CB 4.44Å; L99-L231 HydrophobicContact CD2-CD1 4.1Å; I104-L231 HydrophobicContact CD1-CD2 4.01Å; I104-L231 HydrophobicContact CG1-CD2 4.24Å; I104-L231 HydrophobicContact CG2-CD2 4.04Å; L171-L231 HydrophobicContact CD2-CD1 4.37Å; F224-L231 HydrophobicContact CE1-CD1 4.4Å; F224-L231 HydrophobicContact CZ-CD1 4.24Å; P226-L231 CarbonylContact C-O 3.58Å; P226-L231 HydrophobicContact CB-CB 3.7Å; P226-L231 WeakPolarHBondContact O-CB 3.37Å; P226-L231 PolarHBondContact O-N 3.45Å; E227-L231 WeakPolarHBondContact CA-O 3.39Å; E227-L231 PolarHBondContact N-O 2.67Å; F229-L231 HydrophobicContact CB-CD1 4.35Å; F229-L231 HydrophobicContact CB-CG 4.36Å; F229-L231 PolarHBondContact O-N 3.43Å; L231-R233 PolarHBondContact O-N 3.35Å
232P96.8Very high88.6Confident41 Ų4182.8 Ų82.827%0.26644%0.44SS..PPolyproline II helixtrans-61.8129.1178.8-23.736000111.9H98 H102 I104 P226H98-P232 PolarHBondContact NE2-O 2.85Å; H102-P232 HydrophobicContact CB-CB 4.26Å; H102-P232 HydrophobicContact CB-CG 3.73Å; H102-P232 WeakPolarHBondContact CD2-CB 3.39Å; I104-P232 HydrophobicContact CD1-CG 4.44Å; P226-P232 WeakPolarHBondContact CB-O 3.38Å
233R96.3Very high88.1Confident183 Ų18384.1 Ų84.169%0.69144%0.44SS*.PPolyproline II helixtrans-61.1150.8176.365.8-179.7-176.6177.92.5111.6H98 E227 L231H98-R233 PolarHBondContact CE1-O 3.08Å; H98-R233 PolarHBondContact NE2-O 2.94Å; E227-R233 HydrophobicContact CB-CB 4.44Å; L231-R233 PolarHBondContact O-N 3.35Å
234F94.6Very high87.5Confident48 Ų4884.9 Ų84.921%0.21144%0.444CS..PPolyproline II helixtrans-57.1144.6165.5-69.3-73.2000110.5E94 L95 H98 P226 N236E94-F234 HydrophobicContact CG-CE1 4.11Å; L95-F234 HydrophobicContact CB-CZ 4.26Å; L95-F234 HydrophobicContact CD1-CE2 4.48Å; L95-F234 HydrophobicContact CD1-CZ 3.78Å; H98-F234 HydrophobicContact CB-CD1 3.94Å; H98-F234 HydrophobicContact CB-CE1 3.58Å; H98-F234 AromaticContact CD2-CD1 3.74Å; H98-F234 AromaticContact CD2-CE1 3.72Å; H98-F234 AromaticContact CG-CD1 3.54Å; H98-F234 AromaticContact CG-CE1 3.59Å; H98-F234 AromaticContact ND1-CD1 3.88Å; P226-F234 HydrophobicContact CG-CD2 3.92Å; P226-F234 HydrophobicContact CG-CE2 3.75Å; P226-F234 HydrophobicContact CG-CZ 4.37Å; F234-N236 PolarHBondContact O-N 3.48Å
235E85.6Confident86.8Confident155 Ų15590.6 Ų90.672%0.72447%0.474SS*.PPolyproline II helixtrans-68.8129168.9-64.9-170.4169.100108.2N237E235-N237 VanDerWaalsContact C-N 3.34Å; E235-N237 PolarHBondContact O-N 2.73Å
236N71.2Confident86Confident146 Ų14689.2 Ų89.278%0.78147%0.474SS*.  trans-66.1100170.3-73.1-11.8000107.2F234 S238F234-N236 PolarHBondContact O-N 3.48Å; N236-S238 VanDerWaalsContact C-N 3.34Å; N236-S238 PolarHBondContact O-N 3.25Å; N236-S238 PolarHBondContact O-OG 3.07Å
237N57.4Low85.1Confident151 Ų15196.6 Ų96.681%0.80751%0.513SS*.  trans-61.5105.8160.1-75.9-29000106.1E235E235-N237 VanDerWaalsContact C-N 3.34Å; E235-N237 PolarHBondContact O-N 2.73Å
238S36.6Very low84.1Confident184 Ų18497.5 Ų97.5100%1.28752%0.523SS*.  trans-67.30-179.2-54.20000111.1N236N236-S238 VanDerWaalsContact C-N 3.34Å; N236-S238 PolarHBondContact O-N 3.25Å; N236-S238 PolarHBondContact O-OG 3.07Å

Retrieved 238 of 238 residues in 93.1 ms (Link to these results)

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