Q99P52_MOUSE Loading...

Natriuretic peptide receptor B type

AlphaFold DB , UniProt , Accession Q99P52, Species MOUSE (Mus musculus, Mouse), Gene Npr2, Length 171 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
1R81Confident95.4Very high247 Ų24743.6 Ų43.693%0.93219%0.194SC*.  0130.80179.7175.3171.3166.1-2106.7D72R1-D72 IonicContact CZ-OD1 3.69Å; R1-D72 IonicContact NE-OD1 3.74Å; R1-D72 IonicContact NH2-OD1 2.93Å; R1-D72 PolarHBondContact NH2-OD1 2.94Å
2N92.3Very high95.5Very high69 Ų6950.2 Ų50.237%0.36923%0.225SC..  trans-76142.2174.5-167.826.1000108.7P39 V40 D41N2-P39 VanDerWaalsContact OD1-CB 3.23Å; N2-P39 WeakPolarHBondContact OD1-CB 3.39Å; N2-P39 PolarHBondContact OD1-O 3.41Å; N2-V40 PolarHBondContact OD1-N 3.12Å; N2-D41 WeakPolarHBondContact ND2-CB 3.36Å
3L95.6Very high95.5Very high47 Ų4749.5 Ų49.525%0.24623%0.225CC..EExtended strand (participates in β ladder)trans-90.9115.7173177.872.9000109L5 L38 P39 V40 D41 D72L3-L5 HydrophobicContact CD1-CD2 4.36Å; L3-L5 HydrophobicContact CD2-CD2 3.95Å; L3-L5 HydrophobicContact CD2-CG 4.44Å; L3-L5 HydrophobicContact CG-CD2 3.88Å; L3-L5 HydrophobicContact CG-CG 4.39Å; L3-L38 HydrophobicContact CB-CD1 3.49Å; L3-L38 VanDerWaalsContact CB-CD1 3.49Å; L3-L38 HydrophobicContact CD2-CD1 4.23Å; L3-L38 HydrophobicContact CG-CD1 4.42Å; L3-P39 PolarHBondContact N-O 3.22Å; L3-V40 HydrophobicContact CB-CG2 4.37Å; L3-V40 HydrophobicContact CD2-CG2 4.22Å; L3-V40 CarbonylContact O-C 3.54Å; L3-V40 VanDerWaalsContact O-CA 3.3Å; L3-V40 WeakPolarHBondContact O-CA 3.44Å; L3-D41 PolarHBondContact O-N 3.26Å; L3-D72 WeakPolarHBondContact CA-OD2 3.46Å; L3-D72 HydrophobicContact CD1-CB 3.74Å
4T97.3Very high95.5Very high20 Ų2052.1 Ų52.112%0.12324%0.241CC..EExtended strand (participates in β ladder)trans-99.6115.7179.9-56.30000110.1D41 P71 D72 L73T4-D41 CarbonylContact C-O 3.58Å; T4-D41 WeakPolarHBondContact CA-O 3.47Å; T4-P71 HydrophobicContact CG2-CB 4.08Å; T4-D72 PolarHBondContact N-OD2 3.46Å; T4-D72 PolarHBondContact O-N 3.49Å; T4-L73 PolarHBondContact O-N 3.25Å
5L97.5Very high95.2Very high13 Ų1354.7 Ų54.77%0.06827%0.268CS..EExtended strand (participates in β ladder)trans-103.8127.6176.5-55-175000109L3 V31 V40 D41 L42 R43 L73L3-L5 HydrophobicContact CD1-CD2 4.36Å; L3-L5 HydrophobicContact CD2-CD2 3.95Å; L3-L5 HydrophobicContact CD2-CG 4.44Å; L3-L5 HydrophobicContact CG-CD2 3.88Å; L3-L5 HydrophobicContact CG-CG 4.39Å; L5-V31 HydrophobicContact CD1-CG2 4.44Å; L5-V40 HydrophobicContact CD1-CG1 3.71Å; L5-V40 HydrophobicContact CG-CG1 3.89Å; L5-D41 PolarHBondContact N-O 3.48Å; L5-L42 HydrophobicContact CB-CD1 3.66Å; L5-L42 HydrophobicContact CD1-CD1 4.26Å; L5-L42 CarbonylContact O-C 3.58Å; L5-L42 WeakPolarHBondContact O-CA 3.48Å; L5-R43 PolarHBondContact O-N 3.12Å; L5-L73 HydrophobicContact CD2-CB 3.77Å; L5-L73 HydrophobicContact CD2-CD2 3.92Å; L5-L73 HydrophobicContact CD2-CG 4.3Å
6A98.3Very high95.1Very high0 Ų053.4 Ų53.40%026%0.259CS..EExtended strand (participates in β ladder)trans-114.9129.917700000110.8R43 L65 P71 L73 L74 L75A6-R43 CarbonylContact C-O 3.56Å; A6-R43 WeakPolarHBondContact CA-O 3.24Å; A6-L65 HydrophobicContact CB-CB 4.37Å; A6-L65 HydrophobicContact CB-CD1 3.88Å; A6-L65 HydrophobicContact CB-CD2 4Å; A6-L65 HydrophobicContact CB-CG 4.31Å; A6-P71 HydrophobicContact CB-CB 3.63Å; A6-P71 HydrophobicContact CB-CG 3.78Å; A6-L73 PolarHBondContact N-O 3.16Å; A6-L74 HydrophobicContact CB-CD2 3.82Å; A6-L74 CarbonylContact O-C 3.52Å; A6-L74 WeakPolarHBondContact O-CA 3.35Å; A6-L75 PolarHBondContact O-N 3Å
7V98.4Very high95Very high0 Ų054.5 Ų54.50%028%0.279CS..EExtended strand (participates in β ladder)trans-117.7125.8-172.3-174.10000109L9 W20 E27 L42 R43 F44 V45 L75V7-L9 HydrophobicContact CG1-CB 4.38Å; V7-L9 HydrophobicContact CG1-CD1 3.54Å; V7-L9 HydrophobicContact CG1-CG 3.77Å; V7-W20 HydrophobicContact CG1-CE3 4.45Å; V7-W20 HydrophobicContact CG1-CZ3 4.24Å; V7-E27 WeakPolarHBondContact CG2-OE2 3.45Å; V7-L42 HydrophobicContact CG2-CD1 3.5Å; V7-L42 HydrophobicContact CG2-CG 4.19Å; V7-R43 PolarHBondContact N-O 3.28Å; V7-F44 HydrophobicContact CB-CD2 4.07Å; V7-F44 HydrophobicContact CG1-CD2 3.84Å; V7-F44 HydrophobicContact CG1-CE2 4.4Å; V7-V45 WeakPolarHBondContact O-CG2 3.34Å; V7-V45 PolarHBondContact O-N 3.36Å; V7-L75 WeakPolarHBondContact CA-O 3.44Å; V7-L75 HydrophobicContact CB-CB 4.48Å; V7-L75 HydrophobicContact CG1-CB 4.39Å; V7-L75 HydrophobicContact CG2-CB 4.13Å; V7-L75 HydrophobicContact CG2-CD1 4.08Å
8V98.2Very high95Very high1 Ų154 Ų541%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-124.594178.6-1740000108.8V45 A58 L65 L75 P77V8-V45 WeakPolarHBondContact CA-O 3.39Å; V8-V45 HydrophobicContact CB-CG2 4.44Å; V8-V45 HydrophobicContact CG1-CG2 4.5Å; V8-V45 HydrophobicContact CG2-CG2 3.81Å; V8-A58 HydrophobicContact CG1-CB 3.82Å; V8-L65 HydrophobicContact CG2-CD1 3.48Å; V8-L65 VanDerWaalsContact CG2-CD1 3.48Å; V8-L75 PolarHBondContact N-O 2.97Å; V8-P77 HydrophobicContact CB-CG 4.43Å; V8-P77 HydrophobicContact CG1-CG 4.19Å; V8-P77 WeakPolarHBondContact O-CA 3.48Å
9L97.8Very high95.1Very high9 Ų951.2 Ų51.25%0.04726%0.259CS..EExtended strand (participates in β ladder)trans-141.8162-174.4-64.3174000111.7V7 W18 V23 F44 V45 S46 S47V7-L9 HydrophobicContact CG1-CB 4.38Å; V7-L9 HydrophobicContact CG1-CD1 3.54Å; V7-L9 HydrophobicContact CG1-CG 3.77Å; L9-W18 HydrophobicContact CD2-CB 4.31Å; L9-W18 HydrophobicContact CD2-CG 4.44Å; L9-V23 HydrophobicContact CD1-CG2 3.68Å; L9-F44 HydrophobicContact CB-CE2 4.22Å; L9-V45 PolarHBondContact N-O 3.48Å; L9-S46 WeakPolarHBondContact O-CA 3.41Å; L9-S47 PolarHBondContact O-N 3.05Å; L9-S47 PolarHBondContact O-OG 2.86Å
10P96.6Very high95.2Very high0 Ų051.9 Ų51.90%026%0.258CS..  trans-61.5136.3171.7-22.235.1000110.7Y16 A19 W20 E48 C53P10-Y16 HydrophobicContact CB-CD2 3.84Å; P10-Y16 HydrophobicContact CB-CE2 4.42Å; P10-Y16 HydrophobicContact CG-CD2 3.62Å; P10-Y16 HydrophobicContact CG-CE2 4.19Å; P10-Y16 HydrophobicContact CG-CG 4.08Å; P10-A19 HydrophobicContact CB-CB 4.43Å; P10-A19 CarbonylContact O-C 3.6Å; P10-A19 WeakPolarHBondContact O-CA 3.32Å; P10-W20 WeakPolarHBondContact O-CB 3.47Å; P10-W20 PolarHBondContact O-N 3.4Å; P10-E48 HydrophobicContact CB-CB 4.49Å; P10-E48 WeakPolarHBondContact CB-OE2 3.49Å; P10-C53 WeakPolarHBondContact CG-SG 3.3Å
11E96.9Very high95.3Very high74 Ų7452.7 Ų52.735%0.34627%0.267SS..SBendtrans-89-30-174.2-172.1175.6-168.800112.9P21 F44 S46 E48E11-P21 WeakPolarHBondContact O-CD 3.49Å; E11-P21 VanDerWaalsContact O-CG 3.25Å; E11-P21 WeakPolarHBondContact O-CG 3.4Å; E11-F44 HydrophobicContact CB-CE1 4.18Å; E11-F44 HydrophobicContact CB-CZ 3.95Å; E11-F44 HydrophobicContact CG-CE1 3.89Å; E11-F44 HydrophobicContact CG-CZ 4.07Å; E11-S46 WeakPolarHBondContact CB-OG 3.32Å; E11-S46 WeakPolarHBondContact OE2-CB 3.32Å; E11-E48 PolarHBondContact N-OE2 3.02Å
12H96.4Very high96Very high122 Ų12247.6 Ų47.657%0.56525%0.248SC*.SBendtrans-131-35.1-169.9-55.7102.3000113.6L14 E48H12-L14 PolarHBondContact O-N 3.04Å; H12-E48 PolarHBondContact N-OE2 2.95Å
13N94.9Very high96.2Very high41 Ų4146 Ų4622%0.21924%0.24CC..  trans-71.3100.7-172.7-176.5-6.9000112.4S15 Y16 A19 E48 G51N13-S15 PolarHBondContact ND2-OG 3.47Å; N13-S15 VanDerWaalsContact ND2-OG 3.11Å; N13-S15 PolarHBondContact O-N 3.22Å; N13-S15 WeakPolarHBondContact OD1-CB 3.26Å; N13-S15 PolarHBondContact OD1-N 2.98Å; N13-S15 PolarHBondContact OD1-OG 3.4Å; N13-Y16 HydrophobicContact CB-CD2 3.93Å; N13-Y16 HydrophobicContact CB-CE2 4Å; N13-Y16 WeakPolarHBondContact ND2-CE2 3.01Å; N13-Y16 WeakPolarHBondContact O-CD2 3.46Å; N13-Y16 PolarHBondContact O-N 3.04Å; N13-A19 VanDerWaalsContact O-CB 3.3Å; N13-A19 WeakPolarHBondContact O-CB 3.45Å; N13-E48 PolarHBondContact N-OE1 3.08Å; N13-E48 PolarHBondContact N-OE2 2.99Å; N13-G51 VanDerWaalsContact CB-O 3.27Å; N13-G51 WeakPolarHBondContact CB-O 3.24Å; N13-G51 VanDerWaalsContact CG-O 3.3Å; N13-G51 PolarHBondContact ND2-O 3.5Å
14L95.6Very high96.3Very high87 Ų8744 Ų4446%0.45523%0.232SC..THydrogen-bonded Turntrans-71.1-5.5-179.4-58.1-175.8000114.6H12 Y16 P21 R22H12-L14 PolarHBondContact O-N 3.04Å; L14-Y16 PolarHBondContact O-N 3.21Å; L14-P21 HydrophobicContact CD2-CB 3.78Å; L14-P21 HydrophobicContact CD2-CG 3.86Å; L14-R22 HydrophobicContact CD2-CG 4.31Å; L14-R22 VanDerWaalsContact O-CZ 3.27Å; L14-R22 PolarHBondContact O-NE 3.23Å; L14-R22 PolarHBondContact O-NH2 3.38Å
15S91.9Very high96.3Very high91 Ų9146.9 Ų46.964%0.63625%0.251SS*.THydrogen-bonded Turntrans-63.7-25.6170.668.70000111.9N13N13-S15 PolarHBondContact ND2-OG 3.47Å; N13-S15 VanDerWaalsContact ND2-OG 3.11Å; N13-S15 PolarHBondContact O-N 3.22Å; N13-S15 WeakPolarHBondContact OD1-CB 3.26Å; N13-S15 PolarHBondContact OD1-N 2.98Å; N13-S15 PolarHBondContact OD1-OG 3.4Å
16Y93.4Very high96.2Very high33 Ų3349.3 Ų49.313%0.12927%0.273CS..SBendtrans-83.5127.1173.4-57.2-64.5000110.9P10 N13 L14 W18 A19 R22 C53 C79P10-Y16 HydrophobicContact CB-CD2 3.84Å; P10-Y16 HydrophobicContact CB-CE2 4.42Å; P10-Y16 HydrophobicContact CG-CD2 3.62Å; P10-Y16 HydrophobicContact CG-CE2 4.19Å; P10-Y16 HydrophobicContact CG-CG 4.08Å; N13-Y16 HydrophobicContact CB-CD2 3.93Å; N13-Y16 HydrophobicContact CB-CE2 4Å; N13-Y16 WeakPolarHBondContact ND2-CE2 3.01Å; N13-Y16 WeakPolarHBondContact O-CD2 3.46Å; N13-Y16 PolarHBondContact O-N 3.04Å; L14-Y16 PolarHBondContact O-N 3.21Å; Y16-W18 AromaticContact CD1-CE2 3.94Å; Y16-W18 HydrophobicContact CD1-CH2 4.37Å; Y16-W18 AromaticContact CD1-CZ2 3.56Å; Y16-W18 HydrophobicContact CD1-CZ2 3.56Å; Y16-W18 HydrophobicContact CE1-CZ2 4.33Å; Y16-W18 HydrophobicContact CG-CZ2 4.27Å; Y16-W18 AromaticContact CG-NE1 3.99Å; Y16-W18 PolarHBondContact O-N 2.94Å; Y16-A19 WeakPolarHBondContact O-CB 3.46Å; Y16-A19 PolarHBondContact O-N 3.01Å; Y16-A19 VanDerWaalsContact O-N 3.16Å; Y16-R22 VanDerWaalsContact O-CD 3.31Å; Y16-R22 WeakPolarHBondContact O-CD 3.4Å; Y16-R22 PolarHBondContact O-NE 3.49Å; Y16-C53 HydrophobicContact CE1-CB 4.45Å; Y16-C53 HydrophobicContact CE2-CB 4.31Å; Y16-C53 PolarHBondContact OH-N 3.44Å; Y16-C53 VanDerWaalsContact OH-N 3.07Å; Y16-C79 WeakPolarHBondContact CE1-SG 3.43Å
17A93.5Very high96Very high73 Ų7350.7 Ų50.760%0.60328%0.279SS*.THydrogen-bonded Turntrans-63.1-25.7177.100000112.8R22A17-R22 WeakPolarHBondContact O-CD 3.49Å
18W94.7Very high95.9Very high45 Ų4553.4 Ų53.417%0.1730%0.302CS..THydrogen-bonded Turntrans-97.414.4178.65579.7000113.8L9 Y16 G78 C79L9-W18 HydrophobicContact CD2-CB 4.31Å; L9-W18 HydrophobicContact CD2-CG 4.44Å; Y16-W18 AromaticContact CD1-CE2 3.94Å; Y16-W18 HydrophobicContact CD1-CH2 4.37Å; Y16-W18 AromaticContact CD1-CZ2 3.56Å; Y16-W18 HydrophobicContact CD1-CZ2 3.56Å; Y16-W18 HydrophobicContact CE1-CZ2 4.33Å; Y16-W18 HydrophobicContact CG-CZ2 4.27Å; Y16-W18 AromaticContact CG-NE1 3.99Å; Y16-W18 PolarHBondContact O-N 2.94Å; W18-G78 WeakPolarHBondContact CZ2-O 3.07Å; W18-C79 HydrophobicContact CZ2-CB 4.35Å; W18-C79 VanDerWaalsContact CZ2-SG 3.53Å
19A96.2Very high95.8Very high0 Ų058.9 Ų58.90%033%0.33CS..  trans-62.7145.2175.400000111.2P10 N13 Y16 P21 R22 V23P10-A19 HydrophobicContact CB-CB 4.43Å; P10-A19 CarbonylContact O-C 3.6Å; P10-A19 WeakPolarHBondContact O-CA 3.32Å; N13-A19 VanDerWaalsContact O-CB 3.3Å; N13-A19 WeakPolarHBondContact O-CB 3.45Å; Y16-A19 WeakPolarHBondContact O-CB 3.46Å; Y16-A19 PolarHBondContact O-N 3.01Å; Y16-A19 VanDerWaalsContact O-N 3.16Å; A19-P21 VanDerWaalsContact C-CD 3.4Å; A19-P21 VanDerWaalsContact C-N 3.33Å; A19-R22 WeakPolarHBondContact O-CA 3.37Å; A19-R22 WeakPolarHBondContact O-CB 3.29Å; A19-R22 PolarHBondContact O-N 3.06Å; A19-V23 PolarHBondContact O-N 3.48Å
20W97.3Very high95.6Very high66 Ų6660.9 Ų60.925%0.2535%0.348CS..Hα-helixtrans-49.4-43.3-177.8-178.4-115.5000114V7 P10 R22 V23 G24 E27 L42 F44V7-W20 HydrophobicContact CG1-CE3 4.45Å; V7-W20 HydrophobicContact CG1-CZ3 4.24Å; P10-W20 WeakPolarHBondContact O-CB 3.47Å; P10-W20 PolarHBondContact O-N 3.4Å; W20-R22 PolarHBondContact O-N 3.29Å; W20-R22 VanDerWaalsContact O-N 3.1Å; W20-V23 PolarHBondContact O-N 3.25Å; W20-G24 WeakPolarHBondContact O-CA 3.5Å; W20-G24 PolarHBondContact O-N 2.79Å; W20-E27 WeakPolarHBondContact CZ3-OE2 3.38Å; W20-L42 HydrophobicContact CH2-CD2 4.07Å; W20-F44 HydrophobicContact CB-CE2 3.71Å; W20-F44 HydrophobicContact CB-CZ 3.75Å; W20-F44 AromaticContact CD2-CD2 3.68Å; W20-F44 HydrophobicContact CD2-CD2 3.68Å; W20-F44 AromaticContact CD2-CE2 3.67Å; W20-F44 HydrophobicContact CD2-CE2 3.67Å; W20-F44 HydrophobicContact CD2-CG 4.23Å; W20-F44 HydrophobicContact CD2-CZ 4.19Å; W20-F44 AromaticContact CE3-CD2 3.45Å; W20-F44 HydrophobicContact CE3-CD2 3.45Å; W20-F44 VanDerWaalsContact CE3-CD2 3.45Å; W20-F44 AromaticContact CE3-CE2 3.63Å; W20-F44 HydrophobicContact CE3-CE2 3.63Å; W20-F44 HydrophobicContact CE3-CG 4.29Å; W20-F44 HydrophobicContact CG-CD2 4.2Å; W20-F44 HydrophobicContact CG-CE1 4.38Å; W20-F44 AromaticContact CG-CE2 3.71Å; W20-F44 HydrophobicContact CG-CE2 3.71Å; W20-F44 AromaticContact CG-CZ 3.82Å; W20-F44 HydrophobicContact CG-CZ 3.82Å; W20-F44 HydrophobicContact CH2-CD2 4.4Å; W20-F44 AromaticContact CZ3-CD2 3.84Å; W20-F44 HydrophobicContact CZ3-CD2 3.84Å; W20-F44 HydrophobicContact CZ3-CE2 4.46Å; W20-F44 HydrophobicContact CZ3-CG 4.47Å
21P97.3Very high95.5Very high68 Ų6862.4 Ų62.444%0.44236%0.357SS..Hα-helixtrans-65.7-18.5179.3-20.734.9000113.5E11 L14 A19E11-P21 WeakPolarHBondContact O-CD 3.49Å; E11-P21 VanDerWaalsContact O-CG 3.25Å; E11-P21 WeakPolarHBondContact O-CG 3.4Å; L14-P21 HydrophobicContact CD2-CB 3.78Å; L14-P21 HydrophobicContact CD2-CG 3.86Å; A19-P21 VanDerWaalsContact C-CD 3.4Å; A19-P21 VanDerWaalsContact C-N 3.33Å
22R96.9Very high95.4Very high140 Ų14064.1 Ų64.153%0.52837%0.365SS..Hα-helixtrans-88.6-36176.7-60.4-176.5176.5-78.12.3112.6L14 Y16 A17 A19 W20L14-R22 HydrophobicContact CD2-CG 4.31Å; L14-R22 VanDerWaalsContact O-CZ 3.27Å; L14-R22 PolarHBondContact O-NE 3.23Å; L14-R22 PolarHBondContact O-NH2 3.38Å; Y16-R22 VanDerWaalsContact O-CD 3.31Å; Y16-R22 WeakPolarHBondContact O-CD 3.4Å; Y16-R22 PolarHBondContact O-NE 3.49Å; A17-R22 WeakPolarHBondContact O-CD 3.49Å; A19-R22 WeakPolarHBondContact O-CA 3.37Å; A19-R22 WeakPolarHBondContact O-CB 3.29Å; A19-R22 PolarHBondContact O-N 3.06Å; W20-R22 PolarHBondContact O-N 3.29Å; W20-R22 VanDerWaalsContact O-N 3.1Å
23V96.4Very high95.4Very high35 Ų3561 Ų6121%0.21236%0.361CS..Hα-helixtrans-110.7-23.8-170.2-55.40000114.4L9 A19 W20 P25 A26 E27L9-V23 HydrophobicContact CD1-CG2 3.68Å; A19-V23 PolarHBondContact O-N 3.48Å; W20-V23 PolarHBondContact O-N 3.25Å; V23-P25 VanDerWaalsContact C-CD 3.5Å; V23-A26 WeakPolarHBondContact O-CB 3.06Å; V23-A26 PolarHBondContact O-N 3.18Å; V23-E27 PolarHBondContact O-N 3.15Å
24G96.4Very high95.3Very high6 Ų662.4 Ų62.46%0.06237%0.368CS..Hα-helixtrans-53.9-40.8-179.400000114.4W20 A26 E27 A28W20-G24 WeakPolarHBondContact O-CA 3.5Å; W20-G24 PolarHBondContact O-N 2.79Å; G24-A26 VanDerWaalsContact C-N 3.32Å; G24-A26 PolarHBondContact O-N 3.29Å; G24-E27 PolarHBondContact O-N 3.5Å; G24-A28 WeakPolarHBondContact O-CB 3.43Å; G24-A28 PolarHBondContact O-N 3.12Å
25P97.3Very high95.1Very high81 Ų8160.4 Ų60.453%0.52637%0.368SS..Hα-helixtrans-60.8-38.1173.8-25.935.7000113.6V23 A28 L29V23-P25 VanDerWaalsContact C-CD 3.5Å; P25-A28 PolarHBondContact O-N 3.22Å; P25-L29 WeakPolarHBondContact O-CG 3.44Å; P25-L29 PolarHBondContact O-N 2.73Å; P25-L29 VanDerWaalsContact O-N 3.13Å
26A96.1Very high95.1Very high64 Ų6465.4 Ų65.453%0.52937%0.373SS..Hα-helixtrans-70.2-37.7177.500000111.4V23 G24 L29 A30V23-A26 WeakPolarHBondContact O-CB 3.06Å; V23-A26 PolarHBondContact O-N 3.18Å; G24-A26 VanDerWaalsContact C-N 3.32Å; G24-A26 PolarHBondContact O-N 3.29Å; A26-L29 PolarHBondContact O-N 3.15Å; A26-A30 PolarHBondContact O-N 3.35Å
27E94.5Very high95Very high28 Ų2868 Ų6813%0.13140%0.401CS..Hα-helixtrans-65.4-41.4173.8-68.7-172.8-154.100112.1V7 W20 V23 G24 L29 A30 V31V7-E27 WeakPolarHBondContact CG2-OE2 3.45Å; W20-E27 WeakPolarHBondContact CZ3-OE2 3.38Å; V23-E27 PolarHBondContact O-N 3.15Å; G24-E27 PolarHBondContact O-N 3.5Å; E27-L29 VanDerWaalsContact C-N 3.33Å; E27-L29 PolarHBondContact O-N 3.43Å; E27-A30 WeakPolarHBondContact O-CB 3.49Å; E27-A30 PolarHBondContact O-N 3.44Å; E27-A30 VanDerWaalsContact O-N 3.14Å; E27-V31 WeakPolarHBondContact O-CG2 3.49Å; E27-V31 PolarHBondContact O-N 2.66Å
28A95.1Very high95Very high58 Ų5867.6 Ų67.648%0.47939%0.388SS..Hα-helixtrans-60.2-42.9175.600000111.9G24 P25 A30 V31 E32G24-A28 WeakPolarHBondContact O-CB 3.43Å; G24-A28 PolarHBondContact O-N 3.12Å; P25-A28 PolarHBondContact O-N 3.22Å; A28-A30 VanDerWaalsContact C-N 3.34Å; A28-A30 PolarHBondContact O-N 2.84Å; A28-V31 PolarHBondContact O-N 2.81Å; A28-E32 PolarHBondContact O-N 3.2Å
29L96.6Very high95Very high116 Ų11669.6 Ų69.661%0.60741%0.407SS*.Hα-helixtrans-63.4-39.6174.2-71.3171.8000112.1P25 A26 E27 E32 A33P25-L29 WeakPolarHBondContact O-CG 3.44Å; P25-L29 PolarHBondContact O-N 2.73Å; P25-L29 VanDerWaalsContact O-N 3.13Å; A26-L29 PolarHBondContact O-N 3.15Å; E27-L29 VanDerWaalsContact C-N 3.33Å; E27-L29 PolarHBondContact O-N 3.43Å; L29-E32 PolarHBondContact O-N 3.28Å; L29-A33 WeakPolarHBondContact O-CB 3.42Å; L29-A33 PolarHBondContact O-N 3.24Å
30A93.7Very high95Very high50 Ų5070.9 Ų70.941%0.41342%0.415SS..Hα-helixtrans-65.3-42.6176.400000111.8A26 E27 A28 A33 L34A26-A30 PolarHBondContact O-N 3.35Å; E27-A30 WeakPolarHBondContact O-CB 3.49Å; E27-A30 PolarHBondContact O-N 3.44Å; E27-A30 VanDerWaalsContact O-N 3.14Å; A28-A30 VanDerWaalsContact C-N 3.34Å; A28-A30 PolarHBondContact O-N 2.84Å; A30-A33 PolarHBondContact O-N 3.05Å; A30-L34 WeakPolarHBondContact O-CB 3.24Å; A30-L34 VanDerWaalsContact O-CG 3.3Å; A30-L34 WeakPolarHBondContact O-CG 3.08Å; A30-L34 PolarHBondContact O-N 2.94Å
31V94.9Very high95Very high33 Ų3369.8 Ų69.820%0.241%0.414CS..Hα-helixtrans-62.8-43.5175.4169.40000111.1L5 E27 A28 A33 L34 G35 V40 L42L5-V31 HydrophobicContact CD1-CG2 4.44Å; E27-V31 WeakPolarHBondContact O-CG2 3.49Å; E27-V31 PolarHBondContact O-N 2.66Å; A28-V31 PolarHBondContact O-N 2.81Å; V31-A33 PolarHBondContact O-N 2.95Å; V31-L34 PolarHBondContact O-N 3.06Å; V31-G35 WeakPolarHBondContact O-CA 3.48Å; V31-G35 PolarHBondContact O-N 3.01Å; V31-V40 HydrophobicContact CG1-CB 4.21Å; V31-V40 HydrophobicContact CG1-CG1 4.23Å; V31-V40 HydrophobicContact CG2-CG1 4.12Å; V31-L42 HydrophobicContact CG2-CB 4.22Å; V31-L42 HydrophobicContact CG2-CD1 4.32Å; V31-L42 HydrophobicContact CG2-CD2 4.2Å; V31-L42 HydrophobicContact CG2-CG 4.49Å
32E95.1Very high94.9Very high109 Ų10968.9 Ų68.951%0.50941%0.405SS..Hα-helixtrans-61.7-44.3176.2-166.9-15613500111.4A28 L29 G35 R36A28-E32 PolarHBondContact O-N 3.2Å; L29-E32 PolarHBondContact O-N 3.28Å; E32-G35 PolarHBondContact O-N 2.98Å; E32-R36 IonicContact OE1-CZ 3.59Å; E32-R36 IonicContact OE1-NH2 3.51Å; E32-R36 PolarHBondContact OE1-NH2 2.84Å
33A95Very high95Very high57 Ų5766.9 Ų66.947%0.47140%0.398SS..Hα-helixtrans-63.4-44.4178.900000112.1L29 A30 V31 R36L29-A33 WeakPolarHBondContact O-CB 3.42Å; L29-A33 PolarHBondContact O-N 3.24Å; A30-A33 PolarHBondContact O-N 3.05Å; V31-A33 PolarHBondContact O-N 2.95Å; A33-R36 PolarHBondContact O-N 3.47Å
34L93.4Very high95Very high71 Ų7167.8 Ų67.837%0.37240%0.399SS..Hα-helixtrans-69-34.8176.7-70.8171.2000112.3A30 V31 R36 A37 L38 V40A30-L34 WeakPolarHBondContact O-CB 3.24Å; A30-L34 VanDerWaalsContact O-CG 3.3Å; A30-L34 WeakPolarHBondContact O-CG 3.08Å; A30-L34 PolarHBondContact O-N 2.94Å; V31-L34 PolarHBondContact O-N 3.06Å; L34-R36 PolarHBondContact O-N 3.24Å; L34-R36 VanDerWaalsContact O-N 3.09Å; L34-A37 PolarHBondContact O-N 3.25Å; L34-L38 PolarHBondContact O-N 2.65Å; L34-L38 VanDerWaalsContact O-O 3.11Å; L34-V40 HydrophobicContact CB-CG2 3.73Å
35G91.8Very high95.1Very high44 Ų4469.1 Ų69.145%0.45441%0.406SS..Hα-helixtrans-54.6-26176.900000113.9V31 E32 A37 L38V31-G35 WeakPolarHBondContact O-CA 3.48Å; V31-G35 PolarHBondContact O-N 3.01Å; E32-G35 PolarHBondContact O-N 2.98Å; G35-A37 VanDerWaalsContact C-N 3.3Å; G35-L38 VanDerWaalsContact CA-O 3.23Å; G35-L38 WeakPolarHBondContact CA-O 3.29Å
36R91.3Very high95.1Very high197 Ų19766.3 Ų66.374%0.74339%0.388SS*.THydrogen-bonded Turntrans-70.9-24.6175.1-61.4176.1-170.3177.12.9113E32 A33 L34E32-R36 IonicContact OE1-CZ 3.59Å; E32-R36 IonicContact OE1-NH2 3.51Å; E32-R36 PolarHBondContact OE1-NH2 2.84Å; A33-R36 PolarHBondContact O-N 3.47Å; L34-R36 PolarHBondContact O-N 3.24Å; L34-R36 VanDerWaalsContact O-N 3.09Å
37A92.6Very high95.1Very high88 Ų8863.2 Ų63.273%0.72736%0.363SS*.THydrogen-bonded Turntrans-104.3-37.3-17900000112.8L34 G35L34-A37 PolarHBondContact O-N 3.25Å; G35-A37 VanDerWaalsContact C-N 3.3Å
38L93.7Very high95.1Very high63 Ų6363.2 Ų63.233%0.3336%0.363SS..SBendtrans-154.4156.817663.6139.7000112.1L3 L34 G35L3-L38 HydrophobicContact CB-CD1 3.49Å; L3-L38 VanDerWaalsContact CB-CD1 3.49Å; L3-L38 HydrophobicContact CD2-CD1 4.23Å; L3-L38 HydrophobicContact CG-CD1 4.42Å; L34-L38 PolarHBondContact O-N 2.65Å; L34-L38 VanDerWaalsContact O-O 3.11Å; G35-L38 VanDerWaalsContact CA-O 3.23Å; G35-L38 WeakPolarHBondContact CA-O 3.29Å
39P94.6Very high95.1Very high87 Ų8763.3 Ų63.357%0.56536%0.355SS*.  trans-60.7137.2171.4-23.235.5000111.9N2 L3N2-P39 VanDerWaalsContact OD1-CB 3.23Å; N2-P39 WeakPolarHBondContact OD1-CB 3.39Å; N2-P39 PolarHBondContact OD1-O 3.41Å; L3-P39 PolarHBondContact N-O 3.22Å
40V96.3Very high94.9Very high28 Ų2865.4 Ų65.417%0.1737%0.367CS..EExtended strand (participates in β ladder)trans-129.9130177.7-176.20000109.6N2 L3 L5 V31 L34N2-V40 PolarHBondContact OD1-N 3.12Å; L3-V40 HydrophobicContact CB-CG2 4.37Å; L3-V40 HydrophobicContact CD2-CG2 4.22Å; L3-V40 CarbonylContact O-C 3.54Å; L3-V40 VanDerWaalsContact O-CA 3.3Å; L3-V40 WeakPolarHBondContact O-CA 3.44Å; L5-V40 HydrophobicContact CD1-CG1 3.71Å; L5-V40 HydrophobicContact CG-CG1 3.89Å; V31-V40 HydrophobicContact CG1-CB 4.21Å; V31-V40 HydrophobicContact CG1-CG1 4.23Å; V31-V40 HydrophobicContact CG2-CG1 4.12Å; L34-V40 HydrophobicContact CB-CG2 3.73Å
41D95.6Very high94.7Very high42 Ų4264.7 Ų64.723%0.22536%0.364CS..EExtended strand (participates in β ladder)trans-109.6122.4171.4-17929.5000109.5N2 L3 T4 L5 R43N2-D41 WeakPolarHBondContact ND2-CB 3.36Å; L3-D41 PolarHBondContact O-N 3.26Å; T4-D41 CarbonylContact C-O 3.58Å; T4-D41 WeakPolarHBondContact CA-O 3.47Å; L5-D41 PolarHBondContact N-O 3.48Å; D41-R43 VanDerWaalsContact CG-NE 3.33Å; D41-R43 IonicContact OD1-CZ 3.7Å; D41-R43 IonicContact OD1-NE 3.17Å; D41-R43 PolarHBondContact OD1-NE 3.1Å; D41-R43 VanDerWaalsContact OD1-NE 3.17Å; D41-R43 IonicContact OD1-NH2 3.58Å; D41-R43 IonicContact OD2-CZ 2.79Å; D41-R43 VanDerWaalsContact OD2-CZ 3.25Å; D41-R43 IonicContact OD2-NE 3.9Å; D41-R43 PolarHBondContact OD2-NE 2.98Å; D41-R43 IonicContact OD2-NH2 3.95Å; D41-R43 PolarHBondContact OD2-NH2 3.46Å
42L96.4Very high94.6Very high50 Ų5065.1 Ų65.126%0.26237%0.371SS..EExtended strand (participates in β ladder)trans-108121.9-179.3-172.874.3000109.8L5 V7 W20 V31L5-L42 HydrophobicContact CB-CD1 3.66Å; L5-L42 HydrophobicContact CD1-CD1 4.26Å; L5-L42 CarbonylContact O-C 3.58Å; L5-L42 WeakPolarHBondContact O-CA 3.48Å; V7-L42 HydrophobicContact CG2-CD1 3.5Å; V7-L42 HydrophobicContact CG2-CG 4.19Å; W20-L42 HydrophobicContact CH2-CD2 4.07Å; V31-L42 HydrophobicContact CG2-CB 4.22Å; V31-L42 HydrophobicContact CG2-CD1 4.32Å; V31-L42 HydrophobicContact CG2-CD2 4.2Å; V31-L42 HydrophobicContact CG2-CG 4.49Å
43R97.5Very high94.4Very high97 Ų9760.7 Ų60.737%0.36635%0.352SS..EExtended strand (participates in β ladder)trans-114.5101.7179.8-60.2-61.1178.4148.3-1.9110.3L5 A6 V7 D41 L65L5-R43 PolarHBondContact O-N 3.12Å; A6-R43 CarbonylContact C-O 3.56Å; A6-R43 WeakPolarHBondContact CA-O 3.24Å; V7-R43 PolarHBondContact N-O 3.28Å; D41-R43 VanDerWaalsContact CG-NE 3.33Å; D41-R43 IonicContact OD1-CZ 3.7Å; D41-R43 IonicContact OD1-NE 3.17Å; D41-R43 PolarHBondContact OD1-NE 3.1Å; D41-R43 VanDerWaalsContact OD1-NE 3.17Å; D41-R43 IonicContact OD1-NH2 3.58Å; D41-R43 IonicContact OD2-CZ 2.79Å; D41-R43 VanDerWaalsContact OD2-CZ 3.25Å; D41-R43 IonicContact OD2-NE 3.9Å; D41-R43 PolarHBondContact OD2-NE 2.98Å; D41-R43 IonicContact OD2-NH2 3.95Å; D41-R43 PolarHBondContact OD2-NH2 3.46Å; R43-L65 HydrophobicContact CB-CD2 3.92Å
44F97.9Very high94.3Very high54 Ų5458.4 Ų58.424%0.23733%0.333CS..EExtended strand (participates in β ladder)trans-88.4134.6173.4175.1-96.5000111.4V7 L9 E11 W20V7-F44 HydrophobicContact CB-CD2 4.07Å; V7-F44 HydrophobicContact CG1-CD2 3.84Å; V7-F44 HydrophobicContact CG1-CE2 4.4Å; L9-F44 HydrophobicContact CB-CE2 4.22Å; E11-F44 HydrophobicContact CB-CE1 4.18Å; E11-F44 HydrophobicContact CB-CZ 3.95Å; E11-F44 HydrophobicContact CG-CE1 3.89Å; E11-F44 HydrophobicContact CG-CZ 4.07Å; W20-F44 HydrophobicContact CB-CE2 3.71Å; W20-F44 HydrophobicContact CB-CZ 3.75Å; W20-F44 AromaticContact CD2-CD2 3.68Å; W20-F44 HydrophobicContact CD2-CD2 3.68Å; W20-F44 AromaticContact CD2-CE2 3.67Å; W20-F44 HydrophobicContact CD2-CE2 3.67Å; W20-F44 HydrophobicContact CD2-CG 4.23Å; W20-F44 HydrophobicContact CD2-CZ 4.19Å; W20-F44 AromaticContact CE3-CD2 3.45Å; W20-F44 HydrophobicContact CE3-CD2 3.45Å; W20-F44 VanDerWaalsContact CE3-CD2 3.45Å; W20-F44 AromaticContact CE3-CE2 3.63Å; W20-F44 HydrophobicContact CE3-CE2 3.63Å; W20-F44 HydrophobicContact CE3-CG 4.29Å; W20-F44 HydrophobicContact CG-CD2 4.2Å; W20-F44 HydrophobicContact CG-CE1 4.38Å; W20-F44 AromaticContact CG-CE2 3.71Å; W20-F44 HydrophobicContact CG-CE2 3.71Å; W20-F44 AromaticContact CG-CZ 3.82Å; W20-F44 HydrophobicContact CG-CZ 3.82Å; W20-F44 HydrophobicContact CH2-CD2 4.4Å; W20-F44 AromaticContact CZ3-CD2 3.84Å; W20-F44 HydrophobicContact CZ3-CD2 3.84Å; W20-F44 HydrophobicContact CZ3-CE2 4.46Å; W20-F44 HydrophobicContact CZ3-CG 4.47Å
45V97.8Very high94.3Very high35 Ų3560 Ų6021%0.21234%0.338CS..EExtended strand (participates in β ladder)trans-135.7138.8166.5-63.20000110V7 V8 L9 R61 L65V7-V45 WeakPolarHBondContact O-CG2 3.34Å; V7-V45 PolarHBondContact O-N 3.36Å; V8-V45 WeakPolarHBondContact CA-O 3.39Å; V8-V45 HydrophobicContact CB-CG2 4.44Å; V8-V45 HydrophobicContact CG1-CG2 4.5Å; V8-V45 HydrophobicContact CG2-CG2 3.81Å; L9-V45 PolarHBondContact N-O 3.48Å; V45-R61 HydrophobicContact CB-CB 4.4Å; V45-R61 HydrophobicContact CB-CG 4.48Å; V45-R61 HydrophobicContact CG2-CB 3.74Å; V45-R61 HydrophobicContact CG2-CG 4.3Å; V45-L65 HydrophobicContact CG1-CD1 4.49Å; V45-L65 HydrophobicContact CG1-CD2 4.1Å; V45-L65 HydrophobicContact CG1-CG 4.33Å; V45-L65 HydrophobicContact CG2-CD1 3.41Å; V45-L65 VanDerWaalsContact CG2-CD1 3.41Å; V45-L65 HydrophobicContact CG2-CD2 4.49Å; V45-L65 HydrophobicContact CG2-CG 4.06Å
46S97.4Very high94.4Very high21 Ų2164.6 Ų64.615%0.14734%0.343CS..EExtended strand (participates in β ladder)trans-71134178.8-174.70000111.7L9 E11 E48L9-S46 WeakPolarHBondContact O-CA 3.41Å; E11-S46 WeakPolarHBondContact CB-OG 3.32Å; E11-S46 WeakPolarHBondContact OE2-CB 3.32Å; S46-E48 VanDerWaalsContact C-N 3.33Å; S46-E48 VanDerWaalsContact OG-CB 3.31Å; S46-E48 WeakPolarHBondContact OG-CB 3.13Å; S46-E48 PolarHBondContact OG-N 3.12Å; S46-E48 VanDerWaalsContact OG-N 3.08Å
47S95.9Very high94.7Very high0 Ų056.5 Ų56.50%031%0.314CS..  trans-91.23.2166.2710000113L9 S54L9-S47 PolarHBondContact O-N 3.05Å; L9-S47 PolarHBondContact O-OG 2.86Å; S47-S54 PolarHBondContact O-N 3.13Å
48E94.8Very high94.9Very high27 Ų2752.3 Ų52.313%0.12628%0.28CS..EExtended strand (participates in β ladder)trans-90.3134.8-170.7-158.3172.7133.500111.7P10 E11 H12 N13 S46 G51 A52 L57P10-E48 HydrophobicContact CB-CB 4.49Å; P10-E48 WeakPolarHBondContact CB-OE2 3.49Å; E11-E48 PolarHBondContact N-OE2 3.02Å; H12-E48 PolarHBondContact N-OE2 2.95Å; N13-E48 PolarHBondContact N-OE1 3.08Å; N13-E48 PolarHBondContact N-OE2 2.99Å; S46-E48 VanDerWaalsContact C-N 3.33Å; S46-E48 VanDerWaalsContact OG-CB 3.31Å; S46-E48 WeakPolarHBondContact OG-CB 3.13Å; S46-E48 PolarHBondContact OG-N 3.12Å; S46-E48 VanDerWaalsContact OG-N 3.08Å; E48-G51 VanDerWaalsContact OE1-CA 3.28Å; E48-G51 WeakPolarHBondContact OE1-CA 3.41Å; E48-A52 CarbonylContact C-O 3.56Å; E48-A52 VanDerWaalsContact CA-O 3.28Å; E48-A52 WeakPolarHBondContact CA-O 3.29Å; E48-L57 WeakPolarHBondContact O-CD2 2.93Å
49L94.3Very high95.1Very high60 Ų6050 Ų5031%0.31427%0.268SS..EExtended strand (participates in β ladder)trans-134.1132.5168.3-174.768.9000108G51 A52 Y56 L57L49-G51 PolarHBondContact O-N 3.5Å; L49-G51 VanDerWaalsContact O-N 3.12Å; L49-A52 PolarHBondContact N-O 3.37Å; L49-A52 PolarHBondContact O-N 3.44Å; L49-Y56 HydrophobicContact CD2-CE1 3.71Å; L49-Y56 WeakPolarHBondContact CD2-OH 3.4Å; L49-L57 HydrophobicContact CB-CD2 4.24Å
50D92.4Very high95.3Very high161 Ų16150.5 Ų50.586%0.86127%0.266SS*.THydrogen-bonded Turntrans50.437.7-180-56.8-38.2000113.6A52D50-A52 VanDerWaalsContact C-N 3.33Å; D50-A52 PolarHBondContact O-N 2.8Å
51G90.6Very high95.4Very high35 Ų3554 Ų5436%0.36128%0.276SS..THydrogen-bonded Turntrans805.9179.100000114.7N13 E48 L49N13-G51 VanDerWaalsContact CB-O 3.27Å; N13-G51 WeakPolarHBondContact CB-O 3.24Å; N13-G51 VanDerWaalsContact CG-O 3.3Å; N13-G51 PolarHBondContact ND2-O 3.5Å; E48-G51 VanDerWaalsContact OE1-CA 3.28Å; E48-G51 WeakPolarHBondContact OE1-CA 3.41Å; L49-G51 PolarHBondContact O-N 3.5Å; L49-G51 VanDerWaalsContact O-N 3.12Å
52A91.8Very high95.5Very high42 Ų4252 Ų5235%0.34727%0.265SS..EExtended strand (participates in β ladder)trans-130.5158.4-177.800000112.5E48 L49 D50 S54E48-A52 CarbonylContact C-O 3.56Å; E48-A52 VanDerWaalsContact CA-O 3.28Å; E48-A52 WeakPolarHBondContact CA-O 3.29Å; L49-A52 PolarHBondContact N-O 3.37Å; L49-A52 PolarHBondContact O-N 3.44Å; D50-A52 VanDerWaalsContact C-N 3.33Å; D50-A52 PolarHBondContact O-N 2.8Å; A52-S54 PolarHBondContact O-N 3.35Å; A52-S54 VanDerWaalsContact O-N 3.13Å
53C91.2Very high95.6Very high15 Ų1552.4 Ų52.410%0.10127%0.269CS..EExtended strand (participates in β ladder)trans-59.4115.1167.8-89.60000110.7P10 Y16 C79 P82P10-C53 WeakPolarHBondContact CG-SG 3.3Å; Y16-C53 HydrophobicContact CE1-CB 4.45Å; Y16-C53 HydrophobicContact CE2-CB 4.31Å; Y16-C53 PolarHBondContact OH-N 3.44Å; Y16-C53 VanDerWaalsContact OH-N 3.07Å; C53-C79 HydrophobicContact CB-CB 3.47Å; C53-C79 VanDerWaalsContact CB-CB 3.47Å; C53-C79 WeakPolarHBondContact CB-SG 3.35Å; C53-C79 WeakPolarHBondContact SG-CB 3.44Å; C53-C79 CovalentContact SG-SG 2.01Å; C53-C79 PolarHBondContact SG-SG 3.27Å; C53-P82 HydrophobicContact CB-CG 4.27Å
54S94.1Very high95.6Very high10 Ų1050.6 Ų50.67%0.0727%0.267CS..  trans-88.8125.3179.5171.10000111.7S47 A52 Y56 L57S47-S54 PolarHBondContact O-N 3.13Å; A52-S54 PolarHBondContact O-N 3.35Å; A52-S54 VanDerWaalsContact O-N 3.13Å; S54-Y56 PolarHBondContact O-N 3.18Å; S54-Y56 WeakPolarHBondContact OG-CD1 3.38Å; S54-Y56 WeakPolarHBondContact OG-CE1 3.13Å; S54-L57 VanDerWaalsContact OG-CB 3.3Å; S54-L57 WeakPolarHBondContact OG-CB 3.5Å; S54-L57 PolarHBondContact OG-N 2.92Å; S54-L57 VanDerWaalsContact OG-N 3.09Å
55E91.9Very high95.7Very high105 Ų10548.2 Ų48.249%0.49126%0.257SS..THydrogen-bonded Turntrans-62.8-27.5179.6-58.8-170.1167.800113.3P59 Y81E55-P59 VanDerWaalsContact O-CD 3.28Å; E55-P59 WeakPolarHBondContact O-CD 3.43Å; E55-P59 VanDerWaalsContact O-CG 3.27Å; E55-P59 WeakPolarHBondContact O-CG 3.47Å; E55-Y81 WeakPolarHBondContact OE1-CD2 3.43Å
56Y94.4Very high95.7Very high139 Ų13949 Ų4955%0.54526%0.257SS..THydrogen-bonded Turntrans-105.3-30.6-17877-95.7000113.2L49 S54 P59 L60L49-Y56 HydrophobicContact CD2-CE1 3.71Å; L49-Y56 WeakPolarHBondContact CD2-OH 3.4Å; S54-Y56 PolarHBondContact O-N 3.18Å; S54-Y56 WeakPolarHBondContact OG-CD1 3.38Å; S54-Y56 WeakPolarHBondContact OG-CE1 3.13Å; Y56-P59 WeakPolarHBondContact O-CD 3.08Å; Y56-L60 HydrophobicContact CD2-CD1 3.93Å; Y56-L60 HydrophobicContact CE2-CD1 4.41Å; Y56-L60 WeakPolarHBondContact O-CG 3.16Å; Y56-L60 PolarHBondContact O-N 3.08Å
57L97.3Very high95.7Very high27 Ų2753.6 Ų53.614%0.14128%0.28CS..Hα-helixtrans-69.3-44.1-177.2-172.961.8000111.4E48 L49 S54 L60 R61E48-L57 WeakPolarHBondContact O-CD2 2.93Å; L49-L57 HydrophobicContact CB-CD2 4.24Å; S54-L57 VanDerWaalsContact OG-CB 3.3Å; S54-L57 WeakPolarHBondContact OG-CB 3.5Å; S54-L57 PolarHBondContact OG-N 2.92Å; S54-L57 VanDerWaalsContact OG-N 3.09Å; L57-L60 PolarHBondContact O-N 3.03Å; L57-L60 VanDerWaalsContact O-N 3.16Å; L57-R61 HydrophobicContact CD1-CG 4.3Å; L57-R61 HydrophobicContact CG-CG 4.2Å; L57-R61 VanDerWaalsContact O-CG 3.31Å; L57-R61 WeakPolarHBondContact O-CG 3.33Å; L57-R61 PolarHBondContact O-N 3.22Å
58A97.1Very high95.8Very high0 Ų061.2 Ų61.20%031%0.31CS..Hα-helixtrans-60-44.5-179.500000112.6V8 R61 A62 P77 P82 V86V8-A58 HydrophobicContact CG1-CB 3.82Å; A58-R61 PolarHBondContact O-N 2.89Å; A58-A62 WeakPolarHBondContact O-CB 3.43Å; A58-A62 PolarHBondContact O-N 3.09Å; A58-P77 HydrophobicContact CB-CG 4.17Å; A58-P82 HydrophobicContact CB-CB 3.7Å; A58-V86 HydrophobicContact CB-CG2 4.47Å
59P97.8Very high95.9Very high14 Ų1463.6 Ų63.69%0.09132%0.32CS..Hα-helixtrans-57.3-44.5171.2-3038.3000114.3E55 Y56 A62 V63 S85 V86 F89E55-P59 VanDerWaalsContact O-CD 3.28Å; E55-P59 WeakPolarHBondContact O-CD 3.43Å; E55-P59 VanDerWaalsContact O-CG 3.27Å; E55-P59 WeakPolarHBondContact O-CG 3.47Å; Y56-P59 WeakPolarHBondContact O-CD 3.08Å; P59-A62 PolarHBondContact O-N 2.77Å; P59-V63 WeakPolarHBondContact O-CG2 3.23Å; P59-V63 PolarHBondContact O-N 2.85Å; P59-S85 VanDerWaalsContact CG-CB 3.46Å; P59-V86 HydrophobicContact CG-CG2 4.33Å; P59-F89 HydrophobicContact CB-CE2 3.74Å; P59-F89 HydrophobicContact CB-CZ 4.33Å
60L98.4Very high96.1Very high98 Ų9865.6 Ų65.651%0.51333%0.331SS..Hα-helixtrans-61.7-45.7176.9-69.5175000111.3Y56 L57 A62 V63 D64Y56-L60 HydrophobicContact CD2-CD1 3.93Å; Y56-L60 HydrophobicContact CE2-CD1 4.41Å; Y56-L60 WeakPolarHBondContact O-CG 3.16Å; Y56-L60 PolarHBondContact O-N 3.08Å; L57-L60 PolarHBondContact O-N 3.03Å; L57-L60 VanDerWaalsContact O-N 3.16Å; L60-A62 VanDerWaalsContact C-N 3.33Å; L60-A62 PolarHBondContact O-N 2.97Å; L60-V63 PolarHBondContact O-N 2.78Å; L60-V63 VanDerWaalsContact O-N 3.17Å; L60-D64 PolarHBondContact O-N 2.83Å
61R98.3Very high96.4Very high103 Ų10358.1 Ų58.139%0.38929%0.292SS..Hα-helixtrans-61.8-38.8176.7-68.1-55.3-172.4-168.12.7112.8V45 L57 A58 V63 D64 L65V45-R61 HydrophobicContact CB-CB 4.4Å; V45-R61 HydrophobicContact CB-CG 4.48Å; V45-R61 HydrophobicContact CG2-CB 3.74Å; V45-R61 HydrophobicContact CG2-CG 4.3Å; L57-R61 HydrophobicContact CD1-CG 4.3Å; L57-R61 HydrophobicContact CG-CG 4.2Å; L57-R61 VanDerWaalsContact O-CG 3.31Å; L57-R61 WeakPolarHBondContact O-CG 3.33Å; L57-R61 PolarHBondContact O-N 3.22Å; A58-R61 PolarHBondContact O-N 2.89Å; R61-V63 VanDerWaalsContact C-N 3.34Å; R61-D64 IonicContact NH1-OD2 2.88Å; R61-D64 PolarHBondContact O-N 3.23Å; R61-L65 WeakPolarHBondContact O-CB 3.38Å; R61-L65 VanDerWaalsContact O-CG 3.26Å; R61-L65 WeakPolarHBondContact O-CG 3.48Å; R61-L65 PolarHBondContact O-N 3.23Å
62A98.3Very high96.7Very high0 Ų058.4 Ų58.40%029%0.285CS..Hα-helixtrans-65.4-38175.500000112.2A58 P59 L60 K66 V86A58-A62 WeakPolarHBondContact O-CB 3.43Å; A58-A62 PolarHBondContact O-N 3.09Å; P59-A62 PolarHBondContact O-N 2.77Å; L60-A62 VanDerWaalsContact C-N 3.33Å; L60-A62 PolarHBondContact O-N 2.97Å; A62-K66 WeakPolarHBondContact O-CB 3.43Å; A62-K66 PolarHBondContact O-N 3.35Å; A62-V86 HydrophobicContact CB-CB 4.45Å; A62-V86 HydrophobicContact CB-CG1 3.71Å; A62-V86 HydrophobicContact CB-CG2 3.91Å
63V98.6Very high97Very high57 Ų5758 Ų5835%0.34528%0.277SS..Hα-helixtrans-65.4-46.2173.91710000111P59 L60 R61 L65 K66 L67 F89 W93P59-V63 WeakPolarHBondContact O-CG2 3.23Å; P59-V63 PolarHBondContact O-N 2.85Å; L60-V63 PolarHBondContact O-N 2.78Å; L60-V63 VanDerWaalsContact O-N 3.17Å; R61-V63 VanDerWaalsContact C-N 3.34Å; V63-L65 VanDerWaalsContact C-N 3.34Å; V63-L65 PolarHBondContact O-N 3.43Å; V63-K66 PolarHBondContact O-N 3.09Å; V63-L67 WeakPolarHBondContact O-CB 3.41Å; V63-L67 PolarHBondContact O-N 2.76Å; V63-F89 HydrophobicContact CG2-CD2 3.99Å; V63-F89 HydrophobicContact CG2-CE2 3.8Å; V63-W93 HydrophobicContact CG2-CH2 4.05Å; V63-W93 HydrophobicContact CG2-CZ2 4.21Å
64D98.4Very high97.4Very high59 Ų5957.4 Ų57.432%0.31627%0.273SS..Hα-helixtrans-58.3-47.1175.9-71.3-22.7000111L60 R61 K66 L67 Y68L60-D64 PolarHBondContact O-N 2.83Å; R61-D64 IonicContact NH1-OD2 2.88Å; R61-D64 PolarHBondContact O-N 3.23Å; D64-K66 VanDerWaalsContact C-N 3.33Å; D64-K66 PolarHBondContact O-N 3.26Å; D64-L67 PolarHBondContact O-N 2.89Å; D64-Y68 HydrophobicContact CB-CD2 4.17Å; D64-Y68 HydrophobicContact CB-CE2 4.35Å; D64-Y68 WeakPolarHBondContact O-CB 3.33Å; D64-Y68 WeakPolarHBondContact O-CD2 3.49Å; D64-Y68 PolarHBondContact O-N 3.32Å
65L98.4Very high97.5Very high4 Ų458.5 Ų58.52%0.02128%0.278CS..Hα-helixtrans-57.6-45.9176.2-76.8165.8000111.8A6 V8 R43 V45 R61 V63 H69 D70 P71A6-L65 HydrophobicContact CB-CB 4.37Å; A6-L65 HydrophobicContact CB-CD1 3.88Å; A6-L65 HydrophobicContact CB-CD2 4Å; A6-L65 HydrophobicContact CB-CG 4.31Å; V8-L65 HydrophobicContact CG2-CD1 3.48Å; V8-L65 VanDerWaalsContact CG2-CD1 3.48Å; R43-L65 HydrophobicContact CB-CD2 3.92Å; V45-L65 HydrophobicContact CG1-CD1 4.49Å; V45-L65 HydrophobicContact CG1-CD2 4.1Å; V45-L65 HydrophobicContact CG1-CG 4.33Å; V45-L65 HydrophobicContact CG2-CD1 3.41Å; V45-L65 VanDerWaalsContact CG2-CD1 3.41Å; V45-L65 HydrophobicContact CG2-CD2 4.49Å; V45-L65 HydrophobicContact CG2-CG 4.06Å; R61-L65 WeakPolarHBondContact O-CB 3.38Å; R61-L65 VanDerWaalsContact O-CG 3.26Å; R61-L65 WeakPolarHBondContact O-CG 3.48Å; R61-L65 PolarHBondContact O-N 3.23Å; V63-L65 VanDerWaalsContact C-N 3.34Å; V63-L65 PolarHBondContact O-N 3.43Å; L65-H69 WeakPolarHBondContact O-CA 3.07Å; L65-H69 WeakPolarHBondContact O-CB 3.36Å; L65-H69 PolarHBondContact O-N 3.39Å; L65-D70 PolarHBondContact O-N 3.34Å; L65-P71 WeakPolarHBondContact O-CD 3.4Å
66K98.3Very high97.8Very high51 Ų5153.7 Ų53.722%0.22226%0.257CS..Hα-helixtrans-63.2-43.9177.9-179.258.1175.6174.40112A62 V63 D64 D70 W93A62-K66 WeakPolarHBondContact O-CB 3.43Å; A62-K66 PolarHBondContact O-N 3.35Å; V63-K66 PolarHBondContact O-N 3.09Å; D64-K66 VanDerWaalsContact C-N 3.33Å; D64-K66 PolarHBondContact O-N 3.26Å; K66-D70 WeakPolarHBondContact CE-OD1 3.49Å; K66-D70 IonicContact NZ-OD1 2.81Å; K66-D70 PolarHBondContact NZ-OD1 3.29Å; K66-D70 WeakPolarHBondContact O-CA 3.43Å; K66-D70 PolarHBondContact O-N 3Å; K66-W93 HydrophobicContact CB-CD2 4.43Å; K66-W93 HydrophobicContact CB-CE3 4.14Å; K66-W93 HydrophobicContact CB-CH2 3.77Å; K66-W93 HydrophobicContact CB-CZ2 4.09Å; K66-W93 HydrophobicContact CB-CZ3 3.8Å; K66-W93 HydrophobicContact CD-CD2 4.19Å; K66-W93 HydrophobicContact CD-CE3 4.22Å; K66-W93 HydrophobicContact CD-CG 4.41Å; K66-W93 HydrophobicContact CG-CD2 3.79Å; K66-W93 HydrophobicContact CG-CE3 3.93Å; K66-W93 HydrophobicContact CG-CG 4.33Å; K66-W93 HydrophobicContact CG-CH2 4.12Å; K66-W93 HydrophobicContact CG-CZ2 4.01Å; K66-W93 HydrophobicContact CG-CZ3 4.09Å
67L98.2Very high97.9Very high119 Ų11947.1 Ų47.162%0.62323%0.231SC*.Hα-helixtrans-69.8-43.5-175.7-17960.9000112.6V63 D64V63-L67 WeakPolarHBondContact O-CB 3.41Å; V63-L67 PolarHBondContact O-N 2.76Å; D64-L67 PolarHBondContact O-N 2.89Å
68Y97.9Very high97.9Very high160 Ų16045.9 Ų45.963%0.62722%0.224SC*.Hα-helixtrans-99.7-18.6-170.7-60.4-63.8000114.2D64D64-Y68 HydrophobicContact CB-CD2 4.17Å; D64-Y68 HydrophobicContact CB-CE2 4.35Å; D64-Y68 WeakPolarHBondContact O-CB 3.33Å; D64-Y68 WeakPolarHBondContact O-CD2 3.49Å; D64-Y68 PolarHBondContact O-N 3.32Å
69H97.3Very high97.8Very high76 Ų7645.9 Ų45.935%0.35222%0.224SC..Hα-helixtrans-126.4-13.6-174.9-57.7-67.4000114.8L65L65-H69 WeakPolarHBondContact O-CA 3.07Å; L65-H69 WeakPolarHBondContact O-CB 3.36Å; L65-H69 PolarHBondContact O-N 3.39Å
70D97.5Very high97.7Very high102 Ų10245.7 Ų45.755%0.54522%0.223SC..  trans39.961.8180-165.732.4000113.7L65 K66L65-D70 PolarHBondContact O-N 3.34Å; K66-D70 WeakPolarHBondContact CE-OD1 3.49Å; K66-D70 IonicContact NZ-OD1 2.81Å; K66-D70 PolarHBondContact NZ-OD1 3.29Å; K66-D70 WeakPolarHBondContact O-CA 3.43Å; K66-D70 PolarHBondContact O-N 3Å
71P98.1Very high97.6Very high4 Ų444.4 Ų44.43%0.02621%0.212CC..  trans-68.2155.2-170.629.8-35.5000112.3T4 A6 L65 L74 L95T4-P71 HydrophobicContact CG2-CB 4.08Å; A6-P71 HydrophobicContact CB-CB 3.63Å; A6-P71 HydrophobicContact CB-CG 3.78Å; L65-P71 WeakPolarHBondContact O-CD 3.4Å; P71-L74 HydrophobicContact CG-CD2 4.43Å; P71-L95 HydrophobicContact CG-CD2 4.19Å; P71-L95 WeakPolarHBondContact O-CD1 3.48Å
72D97.9Very high97.5Very high41 Ų4139.5 Ų39.522%0.21919%0.193CC..SBendtrans-84.4-21.4173.9-59.9-71.3000112.2R1 L3 T4 L95R1-D72 IonicContact CZ-OD1 3.69Å; R1-D72 IonicContact NE-OD1 3.74Å; R1-D72 IonicContact NH2-OD1 2.93Å; R1-D72 PolarHBondContact NH2-OD1 2.94Å; L3-D72 WeakPolarHBondContact CA-OD2 3.46Å; L3-D72 HydrophobicContact CD1-CB 3.74Å; T4-D72 PolarHBondContact N-OD2 3.46Å; T4-D72 PolarHBondContact O-N 3.49Å; D72-L95 WeakPolarHBondContact O-CD1 3.39Å
73L97.8Very high97.4Very high33 Ų3339.5 Ų39.517%0.17319%0.193CC..EExtended strand (participates in β ladder)trans-149.7138.8180173.263000111.6T4 L5 A6 L75 P96 L98T4-L73 PolarHBondContact O-N 3.25Å; L5-L73 HydrophobicContact CD2-CB 3.77Å; L5-L73 HydrophobicContact CD2-CD2 3.92Å; L5-L73 HydrophobicContact CD2-CG 4.3Å; A6-L73 PolarHBondContact N-O 3.16Å; L73-L75 HydrophobicContact CD2-CD2 3.75Å; L73-L75 HydrophobicContact CD2-CG 4.34Å; L73-L75 HydrophobicContact CG-CD2 4.1Å; L73-L75 HydrophobicContact CG-CG 4.44Å; L73-P96 HydrophobicContact CD1-CB 3.83Å; L73-P96 WeakPolarHBondContact CD1-O 3.5Å; L73-L98 HydrophobicContact CD1-CB 4.32Å; L73-L98 HydrophobicContact CD1-CD1 3.63Å; L73-L98 HydrophobicContact CD1-CG 4.41Å
74L98.5Very high97.4Very high3 Ų337.4 Ų37.42%0.01618%0.182CC..EExtended strand (participates in β ladder)trans-99.3133165.1-72.2167.1000111.4A6 P71 V86 A90 L95 P96 L97 L98A6-L74 HydrophobicContact CB-CD2 3.82Å; A6-L74 CarbonylContact O-C 3.52Å; A6-L74 WeakPolarHBondContact O-CA 3.35Å; P71-L74 HydrophobicContact CG-CD2 4.43Å; L74-V86 HydrophobicContact CD1-CG1 4.21Å; L74-A90 HydrophobicContact CD1-CB 4.16Å; L74-L95 HydrophobicContact CD1-CD2 3.51Å; L74-L95 HydrophobicContact CD1-CG 4.21Å; L74-L95 HydrophobicContact CG-CD2 3.71Å; L74-L95 HydrophobicContact CG-CG 4.3Å; L74-P96 PolarHBondContact N-O 3.45Å; L74-L97 HydrophobicContact CB-CB 4.25Å; L74-L97 HydrophobicContact CB-CD1 4.14Å; L74-L97 HydrophobicContact CB-CG 4.07Å; L74-L97 HydrophobicContact CD1-CD1 4.22Å; L74-L97 CarbonylContact O-C 3.55Å; L74-L97 WeakPolarHBondContact O-CA 3.37Å; L74-L98 PolarHBondContact O-N 3.12Å
75L98.1Very high97.3Very high33 Ų3336.4 Ų36.417%0.17318%0.18CC..EExtended strand (participates in β ladder)trans-110126.7170.6-61.9-179.2000109.8A6 V7 V8 L73 L98A6-L75 PolarHBondContact O-N 3Å; V7-L75 WeakPolarHBondContact CA-O 3.44Å; V7-L75 HydrophobicContact CB-CB 4.48Å; V7-L75 HydrophobicContact CG1-CB 4.39Å; V7-L75 HydrophobicContact CG2-CB 4.13Å; V7-L75 HydrophobicContact CG2-CD1 4.08Å; V8-L75 PolarHBondContact N-O 2.97Å; L73-L75 HydrophobicContact CD2-CD2 3.75Å; L73-L75 HydrophobicContact CD2-CG 4.34Å; L73-L75 HydrophobicContact CG-CD2 4.1Å; L73-L75 HydrophobicContact CG-CG 4.44Å; L75-L98 CarbonylContact C-O 3.52Å; L75-L98 WeakPolarHBondContact CA-O 3.48Å; L75-L98 HydrophobicContact CD2-CB 3.83Å
76G97.1Very high97.4Very high5 Ų536.3 Ų36.35%0.05218%0.179CC..  trans78.5-168.6-169.400000113L97 L98G76-L97 WeakPolarHBondContact O-CD1 3.46Å; G76-L97 WeakPolarHBondContact O-CD2 3.44Å; G76-L97 WeakPolarHBondContact O-CG 3.29Å; G76-L98 PolarHBondContact N-O 2.88Å
77P97.4Very high97.4Very high0 Ų033.9 Ų33.90%017%0.169CC..  cis-66.3159.3-10.1-18.131.3000113.3V8 A58 P82 A83 V86 T99V8-P77 HydrophobicContact CB-CG 4.43Å; V8-P77 HydrophobicContact CG1-CG 4.19Å; V8-P77 WeakPolarHBondContact O-CA 3.48Å; A58-P77 HydrophobicContact CB-CG 4.17Å; P77-P82 HydrophobicContact CB-CB 4.09Å; P77-P82 HydrophobicContact CG-CB 4.26Å; P77-A83 HydrophobicContact CB-CB 4.27Å; P77-V86 HydrophobicContact CG-CB 4.02Å; P77-V86 HydrophobicContact CG-CG1 4.48Å; P77-V86 HydrophobicContact CG-CG2 3.73Å; P77-T99 WeakPolarHBondContact O-CB 3.46Å; P77-T99 PolarHBondContact O-OG1 3.21Å
78G95.9Very high97.4Very high1 Ų133.1 Ų33.11%0.0116%0.158CC..  trans-94-25.6174.600000114.7W18 G101 A102W18-G78 WeakPolarHBondContact CZ2-O 3.07Å; G78-G101 CarbonylContact O-C 3.58Å; G78-G101 WeakPolarHBondContact O-CA 3.41Å; G78-A102 PolarHBondContact O-N 3.08Å
79C95.6Very high97.4Very high0 Ų029 Ų290%014%0.143CC..SBendtrans-73.2143.8177.4-69.60000111.4Y16 W18 C53 P82 A83 D155Y16-C79 WeakPolarHBondContact CE1-SG 3.43Å; W18-C79 HydrophobicContact CZ2-CB 4.35Å; W18-C79 VanDerWaalsContact CZ2-SG 3.53Å; C53-C79 HydrophobicContact CB-CB 3.47Å; C53-C79 VanDerWaalsContact CB-CB 3.47Å; C53-C79 WeakPolarHBondContact CB-SG 3.35Å; C53-C79 WeakPolarHBondContact SG-CB 3.44Å; C53-C79 CovalentContact SG-SG 2.01Å; C53-C79 PolarHBondContact SG-SG 3.27Å; C79-P82 HydrophobicContact CB-CG 3.83Å; C79-A83 WeakPolarHBondContact O-CB 3.4Å; C79-A83 PolarHBondContact O-N 2.92Å; C79-D155 WeakPolarHBondContact CA-OD2 3.38Å; C79-D155 WeakPolarHBondContact CB-OD2 3.43Å
80V95.9Very high97.5Very high10 Ų1025.3 Ų25.36%0.06113%0.126CC..Hα-helixtrans-65.4-52.1-167.5172.50000111.9A83 A84 V103 A104 F107 D155 F160V80-A83 PolarHBondContact O-N 2.85Å; V80-A84 PolarHBondContact O-N 3.42Å; V80-V103 HydrophobicContact CG2-CG2 3.99Å; V80-A104 HydrophobicContact CG1-CB 3.76Å; V80-A104 HydrophobicContact CG2-CB 4.41Å; V80-F107 HydrophobicContact CG1-CE2 4.01Å; V80-F107 HydrophobicContact CG1-CZ 4.49Å; V80-F107 WeakPolarHBondContact O-CZ 3.33Å; V80-D155 PolarHBondContact N-OD1 3.11Å; V80-D155 VanDerWaalsContact N-OD1 3.12Å; V80-D155 PolarHBondContact N-OD2 3.43Å; V80-F160 HydrophobicContact CB-CD2 3.76Å; V80-F160 HydrophobicContact CB-CE2 3.57Å; V80-F160 HydrophobicContact CB-CG 4.4Å; V80-F160 HydrophobicContact CB-CZ 4.07Å; V80-F160 HydrophobicContact CG1-CD1 4.06Å; V80-F160 HydrophobicContact CG1-CD2 3.82Å; V80-F160 HydrophobicContact CG1-CE1 3.7Å; V80-F160 HydrophobicContact CG1-CE2 3.41Å; V80-F160 VanDerWaalsContact CG1-CE2 3.41Å; V80-F160 HydrophobicContact CG1-CG 4.14Å; V80-F160 HydrophobicContact CG1-CZ 3.35Å; V80-F160 HydrophobicContact CG2-CB 4.39Å; V80-F160 HydrophobicContact CG2-CD2 3.55Å; V80-F160 HydrophobicContact CG2-CE2 3.94Å; V80-F160 HydrophobicContact CG2-CG 3.94Å
81Y95.3Very high97.5Very high71 Ų7121 Ų2128%0.27810%0.104SC..Hα-helixtrans-68.1-47.2-176.7-65.5-65.9000113.4E55 A83 A84 S85 D155 R156 F160E55-Y81 WeakPolarHBondContact OE1-CD2 3.43Å; Y81-A83 VanDerWaalsContact C-N 3.33Å; Y81-A83 PolarHBondContact O-N 3.2Å; Y81-A84 PolarHBondContact O-N 3.25Å; Y81-S85 PolarHBondContact O-N 2.85Å; Y81-D155 PolarHBondContact N-OD1 2.64Å; Y81-R156 HydrophobicContact CE2-CG 4.26Å; Y81-R156 WeakPolarHBondContact OH-CD 3.46Å; Y81-R156 PolarHBondContact OH-NH1 3.46Å; Y81-F160 HydrophobicContact CE1-CZ 4.01Å; Y81-F160 HydrophobicContact CE2-CE2 4.06Å; Y81-F160 HydrophobicContact CE2-CZ 4.23Å; Y81-F160 AromaticContact CZ-CZ 3.83Å
82P96.4Very high97.5Very high0 Ų027.5 Ų27.50%013%0.134CC..Hα-helixtrans-60-41.4174.1-20.730.6000112.7C53 A58 P77 C79 A84 S85 V86C53-P82 HydrophobicContact CB-CG 4.27Å; A58-P82 HydrophobicContact CB-CB 3.7Å; P77-P82 HydrophobicContact CB-CB 4.09Å; P77-P82 HydrophobicContact CG-CB 4.26Å; C79-P82 HydrophobicContact CB-CG 3.83Å; P82-A84 VanDerWaalsContact C-N 3.33Å; P82-A84 PolarHBondContact O-N 3.45Å; P82-S85 PolarHBondContact O-N 3.4Å; P82-V86 WeakPolarHBondContact O-CG2 3.02Å; P82-V86 PolarHBondContact O-N 3.4Å
83A97.6Very high97.5Very high0 Ų028.5 Ų28.50%013%0.134CC..Hα-helixtrans-64.1-37.2178.900000112.3P77 C79 V80 Y81 S85 V86 A87 A102 F107P77-A83 HydrophobicContact CB-CB 4.27Å; C79-A83 WeakPolarHBondContact O-CB 3.4Å; C79-A83 PolarHBondContact O-N 2.92Å; V80-A83 PolarHBondContact O-N 2.85Å; Y81-A83 VanDerWaalsContact C-N 3.33Å; Y81-A83 PolarHBondContact O-N 3.2Å; A83-S85 VanDerWaalsContact C-N 3.31Å; A83-S85 PolarHBondContact O-N 3.3Å; A83-V86 PolarHBondContact O-N 3.24Å; A83-A87 WeakPolarHBondContact O-CB 3.07Å; A83-A87 PolarHBondContact O-N 3.37Å; A83-A102 HydrophobicContact CB-CB 3.84Å; A83-F107 HydrophobicContact CB-CE1 4.24Å; A83-F107 HydrophobicContact CB-CZ 3.84Å
84A97.4Very high97.5Very high13 Ų1333.5 Ų33.511%0.10716%0.157CC..Hα-helixtrans-59.7-41.7176.800000112.1V80 Y81 P82 R88 F107V80-A84 PolarHBondContact O-N 3.42Å; Y81-A84 PolarHBondContact O-N 3.25Å; P82-A84 VanDerWaalsContact C-N 3.33Å; P82-A84 PolarHBondContact O-N 3.45Å; A84-R88 WeakPolarHBondContact O-CG 3.04Å; A84-R88 PolarHBondContact O-N 3.27Å; A84-R88 PolarHBondContact O-NH1 3.39Å; A84-F107 HydrophobicContact CB-CE1 4.2Å; A84-F107 HydrophobicContact CB-CZ 4.09Å
85S97.6Very high97.5Very high39 Ų3933.8 Ų33.827%0.27316%0.158SC..Hα-helixtrans-70.3-51.1177.1-66.80000112P59 Y81 P82 A83 A87 R88 F89P59-S85 VanDerWaalsContact CG-CB 3.46Å; Y81-S85 PolarHBondContact O-N 2.85Å; P82-S85 PolarHBondContact O-N 3.4Å; A83-S85 VanDerWaalsContact C-N 3.31Å; A83-S85 PolarHBondContact O-N 3.3Å; S85-A87 VanDerWaalsContact C-N 3.34Å; S85-A87 PolarHBondContact O-N 3.43Å; S85-R88 PolarHBondContact O-N 2.99Å; S85-F89 PolarHBondContact O-N 3.09Å
86V98.6Very high97.5Very high1 Ų135.1 Ų35.11%0.00617%0.169CC..Hα-helixtrans-65.1-37.1-177.8-178.60000111.7A58 P59 A62 L74 P77 P82 A83 R88 F89 A90 L97A58-V86 HydrophobicContact CB-CG2 4.47Å; P59-V86 HydrophobicContact CG-CG2 4.33Å; A62-V86 HydrophobicContact CB-CB 4.45Å; A62-V86 HydrophobicContact CB-CG1 3.71Å; A62-V86 HydrophobicContact CB-CG2 3.91Å; L74-V86 HydrophobicContact CD1-CG1 4.21Å; P77-V86 HydrophobicContact CG-CB 4.02Å; P77-V86 HydrophobicContact CG-CG1 4.48Å; P77-V86 HydrophobicContact CG-CG2 3.73Å; P82-V86 WeakPolarHBondContact O-CG2 3.02Å; P82-V86 PolarHBondContact O-N 3.4Å; A83-V86 PolarHBondContact O-N 3.24Å; V86-R88 VanDerWaalsContact C-N 3.33Å; V86-R88 PolarHBondContact O-N 3.47Å; V86-F89 WeakPolarHBondContact O-CB 3.43Å; V86-F89 PolarHBondContact O-N 3.16Å; V86-A90 WeakPolarHBondContact O-CB 3.38Å; V86-A90 PolarHBondContact O-N 3.31Å; V86-L97 HydrophobicContact CB-CD1 4.31Å; V86-L97 HydrophobicContact CG1-CD1 3.6Å
87A98.4Very high97.6Very high0 Ų034.9 Ų34.90%017%0.166CC..Hα-helixtrans-67.5-30.4178.400000113.6A83 S85 S91 L97 Y114 L117A83-A87 WeakPolarHBondContact O-CB 3.07Å; A83-A87 PolarHBondContact O-N 3.37Å; S85-A87 VanDerWaalsContact C-N 3.34Å; S85-A87 PolarHBondContact O-N 3.43Å; A87-S91 WeakPolarHBondContact O-CB 3.27Å; A87-S91 PolarHBondContact O-N 2.93Å; A87-S91 PolarHBondContact O-OG 3.43Å; A87-L97 HydrophobicContact CB-CD1 4.48Å; A87-Y114 HydrophobicContact CB-CD1 3.62Å; A87-Y114 HydrophobicContact CB-CE1 4.08Å; A87-L117 HydrophobicContact CB-CB 4.4Å; A87-L117 HydrophobicContact CB-CD2 4.41Å
88R98.4Very high97.6Very high104 Ų10437.6 Ų37.639%0.39218%0.18SC..Hα-helixtrans-68.7-41.1171.5-71.5175.5-170.1120.5-6.3111.2A84 S85 V86 S91 H92 H113 Y114A84-R88 WeakPolarHBondContact O-CG 3.04Å; A84-R88 PolarHBondContact O-N 3.27Å; A84-R88 PolarHBondContact O-NH1 3.39Å; S85-R88 PolarHBondContact O-N 2.99Å; V86-R88 VanDerWaalsContact C-N 3.33Å; V86-R88 PolarHBondContact O-N 3.47Å; R88-S91 PolarHBondContact O-N 3.41Å; R88-H92 PolarHBondContact O-N 3.47Å; R88-H113 HydrophobicContact CG-CB 4.18Å; R88-Y114 HydrophobicContact CG-CD1 4.49Å; R88-Y114 HydrophobicContact CG-CE1 3.98Å; R88-Y114 PolarHBondContact NH2-OH 3.41Å
89F98.4Very high97.7Very high72 Ų7237.8 Ų37.832%0.31618%0.181SC..Hα-helixtrans-63.3-47.2174.2-61.3-13.1000111.5P59 V63 S85 V86 S91 H92 W93P59-F89 HydrophobicContact CB-CE2 3.74Å; P59-F89 HydrophobicContact CB-CZ 4.33Å; V63-F89 HydrophobicContact CG2-CD2 3.99Å; V63-F89 HydrophobicContact CG2-CE2 3.8Å; S85-F89 PolarHBondContact O-N 3.09Å; V86-F89 WeakPolarHBondContact O-CB 3.43Å; V86-F89 PolarHBondContact O-N 3.16Å; F89-S91 VanDerWaalsContact C-N 3.27Å; F89-S91 PolarHBondContact O-N 2.91Å; F89-H92 WeakPolarHBondContact O-CB 3.28Å; F89-H92 PolarHBondContact O-N 2.82Å; F89-H92 VanDerWaalsContact O-N 3.08Å; F89-W93 HydrophobicContact CB-CD2 4.35Å; F89-W93 HydrophobicContact CB-CE3 4.03Å; F89-W93 HydrophobicContact CB-CH2 3.59Å; F89-W93 HydrophobicContact CB-CZ2 3.91Å; F89-W93 HydrophobicContact CB-CZ3 3.65Å; F89-W93 HydrophobicContact CD2-CH2 4.03Å; F89-W93 HydrophobicContact CG-CH2 4.15Å; F89-W93 HydrophobicContact CG-CZ2 4.38Å; F89-W93 VanDerWaalsContact O-CD2 3.25Å; F89-W93 PolarHBondContact O-N 3.13Å
90A98.6Very high97.7Very high0 Ų040.2 Ų40.20%020%0.202CC..Hα-helixtrans-57-42.4176.900000111.7L74 V86 H92 W93 H94 L95 L97 T116L74-A90 HydrophobicContact CD1-CB 4.16Å; V86-A90 WeakPolarHBondContact O-CB 3.38Å; V86-A90 PolarHBondContact O-N 3.31Å; A90-H92 PolarHBondContact O-N 2.82Å; A90-W93 PolarHBondContact O-N 3.38Å; A90-H94 PolarHBondContact O-N 2.65Å; A90-H94 VanDerWaalsContact O-N 3.09Å; A90-L95 WeakPolarHBondContact CB-O 3.1Å; A90-L95 PolarHBondContact O-N 3.02Å; A90-L97 HydrophobicContact CB-CB 3.86Å; A90-L97 HydrophobicContact CB-CD1 3.96Å; A90-T116 PolarHBondContact O-OG1 2.78Å
91S98.3Very high97.6Very high11 Ų1139.8 Ų39.88%0.07720%0.199CC..Hα-helixtrans-64.3-39.7176.2-620000112.4A87 R88 F89 H94 H113 R115 T116A87-S91 WeakPolarHBondContact O-CB 3.27Å; A87-S91 PolarHBondContact O-N 2.93Å; A87-S91 PolarHBondContact O-OG 3.43Å; R88-S91 PolarHBondContact O-N 3.41Å; F89-S91 VanDerWaalsContact C-N 3.27Å; F89-S91 PolarHBondContact O-N 2.91Å; S91-H94 PolarHBondContact O-N 3.02Å; S91-H113 PolarHBondContact OG-O 2.84Å; S91-H113 VanDerWaalsContact OG-O 3.12Å; S91-R115 PolarHBondContact OG-N 3.21Å; S91-T116 WeakPolarHBondContact CA-OG1 3.41Å; S91-T116 PolarHBondContact N-OG1 2.72Å
92H97.8Very high97.6Very high141 Ų14136.4 Ų36.465%0.65319%0.186SC*.Hα-helixtrans-63.6-41.5174.6173.269.7000112.1R88 F89 A90 H94R88-H92 PolarHBondContact O-N 3.47Å; F89-H92 WeakPolarHBondContact O-CB 3.28Å; F89-H92 PolarHBondContact O-N 2.82Å; F89-H92 VanDerWaalsContact O-N 3.08Å; A90-H92 PolarHBondContact O-N 2.82Å; H92-H94 PolarHBondContact O-N 2.78Å; H92-H94 PolarHBondContact O-ND1 2.69Å
93W98.1Very high97.6Very high62 Ų6237.9 Ų37.924%0.23520%0.195CC..THydrogen-bonded Turntrans-79.3-1.2179.3-58.7-36.7000114.5V63 K66 F89 A90 L95V63-W93 HydrophobicContact CG2-CH2 4.05Å; V63-W93 HydrophobicContact CG2-CZ2 4.21Å; K66-W93 HydrophobicContact CB-CD2 4.43Å; K66-W93 HydrophobicContact CB-CE3 4.14Å; K66-W93 HydrophobicContact CB-CH2 3.77Å; K66-W93 HydrophobicContact CB-CZ2 4.09Å; K66-W93 HydrophobicContact CB-CZ3 3.8Å; K66-W93 HydrophobicContact CD-CD2 4.19Å; K66-W93 HydrophobicContact CD-CE3 4.22Å; K66-W93 HydrophobicContact CD-CG 4.41Å; K66-W93 HydrophobicContact CG-CD2 3.79Å; K66-W93 HydrophobicContact CG-CE3 3.93Å; K66-W93 HydrophobicContact CG-CG 4.33Å; K66-W93 HydrophobicContact CG-CH2 4.12Å; K66-W93 HydrophobicContact CG-CZ2 4.01Å; K66-W93 HydrophobicContact CG-CZ3 4.09Å; F89-W93 HydrophobicContact CB-CD2 4.35Å; F89-W93 HydrophobicContact CB-CE3 4.03Å; F89-W93 HydrophobicContact CB-CH2 3.59Å; F89-W93 HydrophobicContact CB-CZ2 3.91Å; F89-W93 HydrophobicContact CB-CZ3 3.65Å; F89-W93 HydrophobicContact CD2-CH2 4.03Å; F89-W93 HydrophobicContact CG-CH2 4.15Å; F89-W93 HydrophobicContact CG-CZ2 4.38Å; F89-W93 VanDerWaalsContact O-CD2 3.25Å; F89-W93 PolarHBondContact O-N 3.13Å; A90-W93 PolarHBondContact O-N 3.38Å; W93-L95 HydrophobicContact CB-CB 4.04Å; W93-L95 HydrophobicContact CE3-CD2 4.17Å; W93-L95 PolarHBondContact O-N 2.65Å
94H97.9Very high97.5Very high138 Ų13838.1 Ų38.164%0.63920%0.197SC*.THydrogen-bonded Turntrans5434.2-170.9-55.681.1000112.5A90 S91 H92A90-H94 PolarHBondContact O-N 2.65Å; A90-H94 VanDerWaalsContact O-N 3.09Å; S91-H94 PolarHBondContact O-N 3.02Å; H92-H94 PolarHBondContact O-N 2.78Å; H92-H94 PolarHBondContact O-ND1 2.69Å
95L98.6Very high97.4Very high8 Ų838.3 Ų38.34%0.04220%0.197CC..  trans-101.2125.1-176.2179.960.1000109.4P71 D72 L74 A90 W93 L97 T116P71-L95 HydrophobicContact CG-CD2 4.19Å; P71-L95 WeakPolarHBondContact O-CD1 3.48Å; D72-L95 WeakPolarHBondContact O-CD1 3.39Å; L74-L95 HydrophobicContact CD1-CD2 3.51Å; L74-L95 HydrophobicContact CD1-CG 4.21Å; L74-L95 HydrophobicContact CG-CD2 3.71Å; L74-L95 HydrophobicContact CG-CG 4.3Å; A90-L95 WeakPolarHBondContact CB-O 3.1Å; A90-L95 PolarHBondContact O-N 3.02Å; W93-L95 HydrophobicContact CB-CB 4.04Å; W93-L95 HydrophobicContact CE3-CD2 4.17Å; W93-L95 PolarHBondContact O-N 2.65Å; L95-L97 PolarHBondContact O-N 2.97Å; L95-T116 WeakPolarHBondContact O-CB 2.93Å; L95-T116 PolarHBondContact O-OG1 3.4Å
96P98.5Very high97.3Very high62 Ų6238.4 Ų38.440%0.40321%0.205SC..  trans-57.5137.1172.5-26.136.3000111.5L73 L74L73-P96 HydrophobicContact CD1-CB 3.83Å; L73-P96 WeakPolarHBondContact CD1-O 3.5Å; L74-P96 PolarHBondContact N-O 3.45Å
97L98.6Very high97.3Very high0 Ų038.6 Ų38.60%021%0.205CC..EExtended strand (participates in β ladder)trans-127.7120.3172.4-176.2150000109.3L74 G76 V86 A87 A90 L95 T99 T116 L117 V118L74-L97 HydrophobicContact CB-CB 4.25Å; L74-L97 HydrophobicContact CB-CD1 4.14Å; L74-L97 HydrophobicContact CB-CG 4.07Å; L74-L97 HydrophobicContact CD1-CD1 4.22Å; L74-L97 CarbonylContact O-C 3.55Å; L74-L97 WeakPolarHBondContact O-CA 3.37Å; G76-L97 WeakPolarHBondContact O-CD1 3.46Å; G76-L97 WeakPolarHBondContact O-CD2 3.44Å; G76-L97 WeakPolarHBondContact O-CG 3.29Å; V86-L97 HydrophobicContact CB-CD1 4.31Å; V86-L97 HydrophobicContact CG1-CD1 3.6Å; A87-L97 HydrophobicContact CB-CD1 4.48Å; A90-L97 HydrophobicContact CB-CB 3.86Å; A90-L97 HydrophobicContact CB-CD1 3.96Å; L95-L97 PolarHBondContact O-N 2.97Å; L97-T99 HydrophobicContact CD2-CG2 4.28Å; L97-T116 PolarHBondContact N-O 3.45Å; L97-T116 VanDerWaalsContact N-O 3.09Å; L97-L117 HydrophobicContact CD2-CD1 3.34Å; L97-L117 CarbonylContact O-C 3.58Å; L97-L117 WeakPolarHBondContact O-CA 3.39Å; L97-V118 PolarHBondContact O-N 3.24Å
98L98.3Very high97Very high57 Ų5741.8 Ų41.830%0.29823%0.232SC..EExtended strand (participates in β ladder)trans-109.5131.2178-92.368.8000109.5L73 L74 L75 G76 V118L73-L98 HydrophobicContact CD1-CB 4.32Å; L73-L98 HydrophobicContact CD1-CD1 3.63Å; L73-L98 HydrophobicContact CD1-CG 4.41Å; L74-L98 PolarHBondContact O-N 3.12Å; L75-L98 CarbonylContact C-O 3.52Å; L75-L98 WeakPolarHBondContact CA-O 3.48Å; L75-L98 HydrophobicContact CD2-CB 3.83Å; G76-L98 PolarHBondContact N-O 2.88Å; L98-V118 WeakPolarHBondContact CA-O 3.07Å; L98-V118 HydrophobicContact CD1-CB 3.97Å; L98-V118 HydrophobicContact CD1-CG2 4.27Å; L98-V118 HydrophobicContact CG-CB 4.08Å; L98-V118 HydrophobicContact CG-CG1 4.41Å
99T97.6Very high96.9Very high4 Ų438.3 Ų38.33%0.02523%0.226CC..EExtended strand (participates in β ladder)trans-141.4142.9176.6-176.50000112.3P77 L97 G101 A102 L117 V118 R119 T120P77-T99 WeakPolarHBondContact O-CB 3.46Å; P77-T99 PolarHBondContact O-OG1 3.21Å; L97-T99 HydrophobicContact CD2-CG2 4.28Å; T99-G101 PolarHBondContact OG1-N 2.95Å; T99-G101 VanDerWaalsContact OG1-N 3.13Å; T99-A102 HydrophobicContact CG2-CB 3.75Å; T99-L117 HydrophobicContact CG2-CD1 3.62Å; T99-V118 PolarHBondContact N-O 3.17Å; T99-R119 HydrophobicContact CG2-CG 4.02Å; T99-R119 CarbonylContact O-C 3.59Å; T99-R119 VanDerWaalsContact O-CA 3.3Å; T99-R119 WeakPolarHBondContact O-CA 3.47Å; T99-T120 PolarHBondContact O-N 3.32Å; T99-T120 PolarHBondContact O-OG1 3.41Å
100A95.3Very high96.8Very high52 Ų5238.3 Ų38.343%0.4323%0.225SC..SBendtrans-89.7-1.8171.500000112.9G121A100-G121 WeakPolarHBondContact O-CA 3.37Å
101G93.9Very high96.5Very high1 Ų145.2 Ų45.21%0.0126%0.262CS..  trans-113.6-132.9176.600000112G78 T99G78-G101 CarbonylContact O-C 3.58Å; G78-G101 WeakPolarHBondContact O-CA 3.41Å; T99-G101 PolarHBondContact OG1-N 2.95Å; T99-G101 VanDerWaalsContact OG1-N 3.13Å
102A95.9Very high96.1Very high0 Ų051.7 Ų51.70%029%0.291CS..  trans55.855.1178.700000111.5G78 A83 T99 A104 F107 R119G78-A102 PolarHBondContact O-N 3.08Å; A83-A102 HydrophobicContact CB-CB 3.84Å; T99-A102 HydrophobicContact CG2-CB 3.75Å; A102-A104 VanDerWaalsContact C-N 3.26Å; A102-A104 PolarHBondContact O-N 2.88Å; A102-F107 HydrophobicContact CB-CD1 4.5Å; A102-F107 HydrophobicContact CB-CD2 3.88Å; A102-F107 HydrophobicContact CB-CE1 4.18Å; A102-F107 HydrophobicContact CB-CE2 3.54Å; A102-F107 HydrophobicContact CB-CG 4.34Å; A102-F107 HydrophobicContact CB-CZ 3.71Å; A102-F107 WeakPolarHBondContact O-CD2 3.49Å; A102-R119 WeakPolarHBondContact O-CD 3.31Å; A102-R119 PolarHBondContact O-NH1 3.04Å
103V95.8Very high95.8Very high31 Ų3148.7 Ų48.719%0.18828%0.278CS..  trans-69.9-20.6-166-59.60000114.1V80 R119 A124 F160V80-V103 HydrophobicContact CG2-CG2 3.99Å; V103-R119 PolarHBondContact O-NH1 3.41Å; V103-A124 WeakPolarHBondContact O-CB 3.45Å; V103-A124 PolarHBondContact O-N 2.01Å; V103-F160 HydrophobicContact CG2-CB 3.89Å
104A96.4Very high95.8Very high5 Ų546.4 Ų46.44%0.04127%0.269CS..  trans-58.2150-170.500000114.4V80 A102 G106 F107 R119 F160 E163V80-A104 HydrophobicContact CG1-CB 3.76Å; V80-A104 HydrophobicContact CG2-CB 4.41Å; A102-A104 VanDerWaalsContact C-N 3.26Å; A102-A104 PolarHBondContact O-N 2.88Å; A104-G106 VanDerWaalsContact C-N 3.3Å; A104-G106 PolarHBondContact O-N 3.46Å; A104-F107 HydrophobicContact CB-CD2 3.86Å; A104-F107 HydrophobicContact CB-CE2 3.93Å; A104-F107 PolarHBondContact O-N 2.99Å; A104-R119 PolarHBondContact O-NH1 2.9Å; A104-F160 HydrophobicContact CB-CB 4.48Å; A104-F160 HydrophobicContact CB-CD1 3.51Å; A104-F160 HydrophobicContact CB-CE1 3.96Å; A104-F160 HydrophobicContact CB-CG 4.13Å; A104-E163 WeakPolarHBondContact CA-OE1 3.28Å; A104-E163 VanDerWaalsContact CB-OE1 3.29Å; A104-E163 WeakPolarHBondContact CB-OE1 3.01Å
105S95.3Very high95.8Very high16 Ų1647.1 Ų47.111%0.11227%0.266CS..G310 helixtrans-62.2-38.217864.10000111.9F107 A108 E163 E167S105-F107 PolarHBondContact O-N 2.85Å; S105-A108 VanDerWaalsContact O-CB 3.26Å; S105-A108 WeakPolarHBondContact O-CB 3.5Å; S105-A108 PolarHBondContact O-N 2.83Å; S105-E163 PolarHBondContact N-OE1 3.17Å; S105-E167 WeakPolarHBondContact CB-OE1 3.19Å; S105-E167 WeakPolarHBondContact CB-OE2 3.25Å; S105-E167 PolarHBondContact OG-OE1 3Å; S105-E167 PolarHBondContact OG-OE2 3.39Å
106G95.3Very high95.8Very high42 Ų4248 Ų4843%0.43327%0.272SS..G310 helixtrans-56.1-23.7-177.700000115.3A104 A108 A109 Y114A104-G106 VanDerWaalsContact C-N 3.3Å; A104-G106 PolarHBondContact O-N 3.46Å; G106-A108 PolarHBondContact O-N 2.93Å; G106-A108 VanDerWaalsContact O-N 3.08Å; G106-A109 WeakPolarHBondContact O-CB 3.16Å; G106-A109 PolarHBondContact O-N 2.79Å; G106-A109 VanDerWaalsContact O-N 3.12Å; G106-Y114 VanDerWaalsContact O-CE2 3.24Å; G106-Y114 WeakPolarHBondContact O-CE2 3.34Å
107F97.1Very high95.8Very high4 Ų445.3 Ų45.32%0.01825%0.254CS..G310 helixtrans-65.6-8.4174.8-71-70.2000114.3V80 A83 A84 A102 A104 S105 A109 Y114 L117V80-F107 HydrophobicContact CG1-CE2 4.01Å; V80-F107 HydrophobicContact CG1-CZ 4.49Å; V80-F107 WeakPolarHBondContact O-CZ 3.33Å; A83-F107 HydrophobicContact CB-CE1 4.24Å; A83-F107 HydrophobicContact CB-CZ 3.84Å; A84-F107 HydrophobicContact CB-CE1 4.2Å; A84-F107 HydrophobicContact CB-CZ 4.09Å; A102-F107 HydrophobicContact CB-CD1 4.5Å; A102-F107 HydrophobicContact CB-CD2 3.88Å; A102-F107 HydrophobicContact CB-CE1 4.18Å; A102-F107 HydrophobicContact CB-CE2 3.54Å; A102-F107 HydrophobicContact CB-CG 4.34Å; A102-F107 HydrophobicContact CB-CZ 3.71Å; A102-F107 WeakPolarHBondContact O-CD2 3.49Å; A104-F107 HydrophobicContact CB-CD2 3.86Å; A104-F107 HydrophobicContact CB-CE2 3.93Å; A104-F107 PolarHBondContact O-N 2.99Å; S105-F107 PolarHBondContact O-N 2.85Å; F107-A109 VanDerWaalsContact C-N 3.26Å; F107-A109 PolarHBondContact O-N 2.78Å; F107-Y114 HydrophobicContact CD1-CD1 4.04Å; F107-Y114 HydrophobicContact CD1-CD2 4.16Å; F107-Y114 AromaticContact CD1-CE1 3.95Å; F107-Y114 HydrophobicContact CD1-CE1 3.95Å; F107-Y114 HydrophobicContact CD1-CE2 4.07Å; F107-Y114 HydrophobicContact CD1-CG 4.13Å; F107-Y114 AromaticContact CD1-CZ 3.95Å; F107-Y114 HydrophobicContact CE1-CD1 4.38Å; F107-Y114 AromaticContact CE1-CE1 3.98Å; F107-Y114 HydrophobicContact CE1-CE1 3.98Å; F107-L117 HydrophobicContact CB-CD2 3.87Å; F107-L117 HydrophobicContact CD1-CD2 3.35Å; F107-L117 HydrophobicContact CE1-CD2 4.16Å; F107-L117 HydrophobicContact CG-CD2 3.92Å
108A94.2Very high95.8Very high68 Ų6848.8 Ų48.856%0.56228%0.275SS*.G310 helixtrans-70.6-17.1171.200000113.6S105 G106 K110S105-A108 VanDerWaalsContact O-CB 3.26Å; S105-A108 WeakPolarHBondContact O-CB 3.5Å; S105-A108 PolarHBondContact O-N 2.83Å; G106-A108 PolarHBondContact O-N 2.93Å; G106-A108 VanDerWaalsContact O-N 3.08Å; A108-K110 PolarHBondContact O-N 2.93Å
109A95.3Very high95.7Very high31 Ų3149 Ų4926%0.25627%0.272SS..  trans-7366.1178.800000113G106 F107 N111 H113 Y114G106-A109 WeakPolarHBondContact O-CB 3.16Å; G106-A109 PolarHBondContact O-N 2.79Å; G106-A109 VanDerWaalsContact O-N 3.12Å; F107-A109 VanDerWaalsContact C-N 3.26Å; F107-A109 PolarHBondContact O-N 2.78Å; A109-N111 PolarHBondContact O-N 2.88Å; A109-H113 PolarHBondContact O-N 3.27Å; A109-H113 VanDerWaalsContact O-N 3.15Å; A109-Y114 HydrophobicContact CB-CD2 4.34Å; A109-Y114 PolarHBondContact O-N 3.27Å
110K95.6Very high95.6Very high71 Ų7153.7 Ų53.731%0.30930%0.301SS..THydrogen-bonded Turntrans-64.2-38.8-175.6-65.8-58.7-177.4-169.80113.7A108 E112 Y114 R115 L117A108-K110 PolarHBondContact O-N 2.93Å; K110-E112 VanDerWaalsContact C-N 3.34Å; K110-Y114 WeakPolarHBondContact CD-O 3.26Å; K110-Y114 PolarHBondContact NZ-O 2.91Å; K110-R115 VanDerWaalsContact O-CA 3.24Å; K110-R115 WeakPolarHBondContact O-CA 3.37Å; K110-R115 WeakPolarHBondContact O-CB 3.4Å; K110-R115 PolarHBondContact O-N 2.96Å; K110-L117 PolarHBondContact NZ-O 3.25Å
111N92.8Very high95.4Very high146 Ų14652.6 Ų52.678%0.78129%0.294SS*.THydrogen-bonded Turntrans-73.1-30-174.6-65.4-22.4000112.4A109A109-N111 PolarHBondContact O-N 2.88Å
112E90.1Very high95.2Very high146 Ų14657.5 Ų57.568%0.68233%0.326SS*.THydrogen-bonded Turntrans-93.1-44.7-173.9-64.3172.7-164.600112.8K110K110-E112 VanDerWaalsContact C-N 3.34Å
113H91.8Very high95.1Very high79 Ų7958.8 Ų58.837%0.36634%0.335SS..THydrogen-bonded Turntrans-133.9-30.7-164.7-63.8-38.9000115.2R88 S91 A109R88-H113 HydrophobicContact CG-CB 4.18Å; S91-H113 PolarHBondContact OG-O 2.84Å; S91-H113 VanDerWaalsContact OG-O 3.12Å; A109-H113 PolarHBondContact O-N 3.27Å; A109-H113 VanDerWaalsContact O-N 3.15Å
114Y97.8Very high95.1Very high14 Ų1457.4 Ų57.46%0.05533%0.327CS..  trans-127.538.3-161.8-52.5-58.5000113.7A87 R88 G106 F107 A109 K110 T116 L117A87-Y114 HydrophobicContact CB-CD1 3.62Å; A87-Y114 HydrophobicContact CB-CE1 4.08Å; R88-Y114 HydrophobicContact CG-CD1 4.49Å; R88-Y114 HydrophobicContact CG-CE1 3.98Å; R88-Y114 PolarHBondContact NH2-OH 3.41Å; G106-Y114 VanDerWaalsContact O-CE2 3.24Å; G106-Y114 WeakPolarHBondContact O-CE2 3.34Å; F107-Y114 HydrophobicContact CD1-CD1 4.04Å; F107-Y114 HydrophobicContact CD1-CD2 4.16Å; F107-Y114 AromaticContact CD1-CE1 3.95Å; F107-Y114 HydrophobicContact CD1-CE1 3.95Å; F107-Y114 HydrophobicContact CD1-CE2 4.07Å; F107-Y114 HydrophobicContact CD1-CG 4.13Å; F107-Y114 AromaticContact CD1-CZ 3.95Å; F107-Y114 HydrophobicContact CE1-CD1 4.38Å; F107-Y114 AromaticContact CE1-CE1 3.98Å; F107-Y114 HydrophobicContact CE1-CE1 3.98Å; A109-Y114 HydrophobicContact CB-CD2 4.34Å; A109-Y114 PolarHBondContact O-N 3.27Å; K110-Y114 WeakPolarHBondContact CD-O 3.26Å; K110-Y114 PolarHBondContact NZ-O 2.91Å; Y114-T116 VanDerWaalsContact C-N 3.29Å; Y114-T116 PolarHBondContact O-N 2.97Å; Y114-L117 HydrophobicContact CD1-CD2 4.48Å; Y114-L117 HydrophobicContact CG-CD2 4.27Å; Y114-L117 WeakPolarHBondContact O-CB 3.45Å; Y114-L117 PolarHBondContact O-N 2.91Å
115R98.1Very high95.1Very high152 Ų15258.9 Ų58.957%0.57434%0.336SS*.THydrogen-bonded Turntrans-58.2-36.4-170.6-165.4-176.3-55.8140.85.9113.8S91 K110S91-R115 PolarHBondContact OG-N 3.21Å; K110-R115 VanDerWaalsContact O-CA 3.24Å; K110-R115 WeakPolarHBondContact O-CA 3.37Å; K110-R115 WeakPolarHBondContact O-CB 3.4Å; K110-R115 PolarHBondContact O-N 2.96Å
116T98.3Very high95.1Very high27 Ų2764.1 Ų64.117%0.16636%0.357CS..THydrogen-bonded Turntrans-1020.9-176.661.70000114A90 S91 L95 L97 Y114A90-T116 PolarHBondContact O-OG1 2.78Å; S91-T116 WeakPolarHBondContact CA-OG1 3.41Å; S91-T116 PolarHBondContact N-OG1 2.72Å; L95-T116 WeakPolarHBondContact O-CB 2.93Å; L95-T116 PolarHBondContact O-OG1 3.4Å; L97-T116 PolarHBondContact N-O 3.45Å; L97-T116 VanDerWaalsContact N-O 3.09Å; Y114-T116 VanDerWaalsContact C-N 3.29Å; Y114-T116 PolarHBondContact O-N 2.97Å
117L98.5Very high95.1Very high6 Ų665.3 Ų65.33%0.03135%0.353CS..EExtended strand (participates in β ladder)trans-74.7132.1178.8167.267.1000110.6A87 L97 T99 F107 K110 Y114 R119A87-L117 HydrophobicContact CB-CB 4.4Å; A87-L117 HydrophobicContact CB-CD2 4.41Å; L97-L117 HydrophobicContact CD2-CD1 3.34Å; L97-L117 CarbonylContact O-C 3.58Å; L97-L117 WeakPolarHBondContact O-CA 3.39Å; T99-L117 HydrophobicContact CG2-CD1 3.62Å; F107-L117 HydrophobicContact CB-CD2 3.87Å; F107-L117 HydrophobicContact CD1-CD2 3.35Å; F107-L117 HydrophobicContact CE1-CD2 4.16Å; F107-L117 HydrophobicContact CG-CD2 3.92Å; K110-L117 PolarHBondContact NZ-O 3.25Å; Y114-L117 HydrophobicContact CD1-CD2 4.48Å; Y114-L117 HydrophobicContact CG-CD2 4.27Å; Y114-L117 WeakPolarHBondContact O-CB 3.45Å; Y114-L117 PolarHBondContact O-N 2.91Å; L117-R119 HydrophobicContact CD1-CG 4.14Å; L117-R119 HydrophobicContact CD2-CG 4.37Å; L117-R119 HydrophobicContact CG-CG 4.26Å
118V97.9Very high95Very high73 Ų7365.1 Ų65.144%0.44235%0.352SS..EExtended strand (participates in β ladder)trans-122.9127.5168.5179.50000108.3L97 L98 T99L97-V118 PolarHBondContact O-N 3.24Å; L98-V118 WeakPolarHBondContact CA-O 3.07Å; L98-V118 HydrophobicContact CD1-CB 3.97Å; L98-V118 HydrophobicContact CD1-CG2 4.27Å; L98-V118 HydrophobicContact CG-CB 4.08Å; L98-V118 HydrophobicContact CG-CG1 4.41Å; T99-V118 PolarHBondContact N-O 3.17Å
119R96.5Very high95Very high61 Ų6166.5 Ų66.523%0.2335%0.347CS..EExtended strand (participates in β ladder)trans-104.8128.6175.2-63.3-172-63.4-177-2.9109.2T99 A102 V103 A104 L117T99-R119 HydrophobicContact CG2-CG 4.02Å; T99-R119 CarbonylContact O-C 3.59Å; T99-R119 VanDerWaalsContact O-CA 3.3Å; T99-R119 WeakPolarHBondContact O-CA 3.47Å; A102-R119 WeakPolarHBondContact O-CD 3.31Å; A102-R119 PolarHBondContact O-NH1 3.04Å; V103-R119 PolarHBondContact O-NH1 3.41Å; A104-R119 PolarHBondContact O-NH1 2.9Å; L117-R119 HydrophobicContact CD1-CG 4.14Å; L117-R119 HydrophobicContact CD2-CG 4.37Å; L117-R119 HydrophobicContact CG-CG 4.26Å
120T95.1Very high95Very high103 Ų10370.7 Ų70.763%0.63236%0.359SS*.  trans-108.3-9.5177.6560000112.9T99T99-T120 PolarHBondContact O-N 3.32Å; T99-T120 PolarHBondContact O-OG1 3.41Å
121G92Very high95Very high28 Ų2868.6 Ų68.629%0.28935%0.353SS..SBendtrans-100.3-173.6178.200000114.6A100A100-G121 WeakPolarHBondContact O-CA 3.37Å
122P90Very high95.1Very high104 Ų10464.7 Ų64.768%0.67533%0.334SS*.  trans-57.5152.7176.8-22.833.8000112.7
123S94.2Very high95.3Very high27 Ų2762.3 Ų62.319%0.18933%0.33CS..  trans-134.2148.8171.772.50000110.9K126 L127S123-K126 PolarHBondContact O-N 3.16Å; S123-K126 VanDerWaalsContact O-N 3.12Å; S123-L127 PolarHBondContact O-N 3.35Å
124A95.6Very high95.5Very high3 Ų361.1 Ų61.13%0.02533%0.325CS..Hα-helixtrans-59.2-41.6179.100000112.9V103 K126 L127 G128 F160 E163V103-A124 WeakPolarHBondContact O-CB 3.45Å; V103-A124 PolarHBondContact O-N 2.01Å; A124-K126 PolarHBondContact O-N 3.26Å; A124-L127 WeakPolarHBondContact O-CB 3.36Å; A124-L127 PolarHBondContact O-N 2.93Å; A124-L127 VanDerWaalsContact O-N 3.12Å; A124-G128 PolarHBondContact O-N 3.29Å; A124-F160 WeakPolarHBondContact CB-O 3.4Å; A124-E163 HydrophobicContact CB-CG 4.41Å
125P95Very high95.3Very high35 Ų3562 Ų6223%0.22733%0.33CS..Hα-helixtrans-57.3-37.8174.1-27.536.7000112.9L127 G128 E129P125-L127 VanDerWaalsContact C-N 3.33Å; P125-L127 PolarHBondContact O-N 2.89Å; P125-G128 WeakPolarHBondContact O-CA 3.49Å; P125-G128 PolarHBondContact O-N 3.13Å; P125-G128 VanDerWaalsContact O-N 3.1Å; P125-E129 PolarHBondContact O-N 3.01Å
126K95.3Very high95.1Very high126 Ų12657.3 Ų57.355%0.54833%0.329SS..Hα-helixtrans-68.9-33.6179.5-166.358.4176.2177.90112.5S123 A124 G128 E129 F130S123-K126 PolarHBondContact O-N 3.16Å; S123-K126 VanDerWaalsContact O-N 3.12Å; A124-K126 PolarHBondContact O-N 3.26Å; K126-G128 VanDerWaalsContact C-N 3.34Å; K126-E129 VanDerWaalsContact CD-OE2 3.29Å; K126-E129 WeakPolarHBondContact CD-OE2 3.3Å; K126-E129 IonicContact NZ-OE2 2.66Å; K126-E129 PolarHBondContact NZ-OE2 3.09Å; K126-F130 PolarHBondContact O-N 2.86Å
127L95.1Very high95.1Very high67 Ų6762.7 Ų62.735%0.35135%0.352SS..Hα-helixtrans-65.6-39.5169.9-179.663.1000111.2S123 A124 P125 F130 V131 T161 V165S123-L127 PolarHBondContact O-N 3.35Å; A124-L127 WeakPolarHBondContact O-CB 3.36Å; A124-L127 PolarHBondContact O-N 2.93Å; A124-L127 VanDerWaalsContact O-N 3.12Å; P125-L127 VanDerWaalsContact C-N 3.33Å; P125-L127 PolarHBondContact O-N 2.89Å; L127-F130 HydrophobicContact CD1-CD1 4.25Å; L127-F130 WeakPolarHBondContact O-CB 3.39Å; L127-F130 PolarHBondContact O-N 3.49Å; L127-V131 WeakPolarHBondContact O-CG2 3.23Å; L127-V131 PolarHBondContact O-N 2.8Å; L127-T161 HydrophobicContact CD2-CG2 3.43Å; L127-T161 VanDerWaalsContact CD2-CG2 3.43Å; L127-V165 HydrophobicContact CD2-CG2 4.09Å; L127-V165 HydrophobicContact CG-CG2 3.96Å
128G95.1Very high94.9Very high0 Ų067.6 Ų67.60%037%0.373CS..Hα-helixtrans-58.5-49173.700000113.1A124 P125 K126 F130 V131 V132 G164A124-G128 PolarHBondContact O-N 3.29Å; P125-G128 WeakPolarHBondContact O-CA 3.49Å; P125-G128 PolarHBondContact O-N 3.13Å; P125-G128 VanDerWaalsContact O-N 3.1Å; K126-G128 VanDerWaalsContact C-N 3.34Å; G128-F130 PolarHBondContact O-N 2.95Å; G128-V131 PolarHBondContact O-N 3.42Å; G128-V132 WeakPolarHBondContact O-CG2 3.3Å; G128-V132 PolarHBondContact O-N 3.36Å; G128-G164 WeakPolarHBondContact CA-O 3.36Å
129E95.4Very high94.8Very high97 Ų9770.5 Ų70.545%0.45339%0.386SS..Hα-helixtrans-55.6-40.4174.6-71174-151.100112.3P125 K126 V132 T133P125-E129 PolarHBondContact O-N 3.01Å; K126-E129 VanDerWaalsContact CD-OE2 3.29Å; K126-E129 WeakPolarHBondContact CD-OE2 3.3Å; K126-E129 IonicContact NZ-OE2 2.66Å; K126-E129 PolarHBondContact NZ-OE2 3.09Å; E129-V132 PolarHBondContact O-N 2.85Å; E129-T133 WeakPolarHBondContact O-CB 3.44Å; E129-T133 PolarHBondContact O-N 3Å; E129-T133 PolarHBondContact O-OG1 3.06Å
130F95.8Very high94.7Very high119 Ų11974.5 Ų74.552%0.52240%0.401SS..Hα-helixtrans-63.8-43.7176.1173.1-109.3000111.7K126 L127 G128 T133 L134K126-F130 PolarHBondContact O-N 2.86Å; L127-F130 HydrophobicContact CD1-CD1 4.25Å; L127-F130 WeakPolarHBondContact O-CB 3.39Å; L127-F130 PolarHBondContact O-N 3.49Å; G128-F130 PolarHBondContact O-N 2.95Å; F130-T133 WeakPolarHBondContact O-CB 3.47Å; F130-T133 PolarHBondContact O-N 2.85Å; F130-L134 HydrophobicContact CD1-CD1 4.07Å; F130-L134 HydrophobicContact CE1-CD1 3.48Å; F130-L134 VanDerWaalsContact CE1-CD1 3.48Å; F130-L134 HydrophobicContact CE1-CG 4.23Å; F130-L134 HydrophobicContact CE2-CD1 4.32Å; F130-L134 HydrophobicContact CE2-CD2 4.37Å; F130-L134 HydrophobicContact CE2-CG 4.22Å; F130-L134 HydrophobicContact CZ-CD1 3.63Å; F130-L134 HydrophobicContact CZ-CD2 4.18Å; F130-L134 HydrophobicContact CZ-CG 4Å; F130-L134 PolarHBondContact O-N 3.35Å
131V94.7Very high94.1Very high28 Ų2876.3 Ų76.317%0.1741%0.413CS..Hα-helixtrans-65.3-39.9177.6175.30000111.9L127 G128 T133 L134 H135 V165 L169L127-V131 WeakPolarHBondContact O-CG2 3.23Å; L127-V131 PolarHBondContact O-N 2.8Å; G128-V131 PolarHBondContact O-N 3.42Å; V131-T133 VanDerWaalsContact C-N 3.31Å; V131-T133 PolarHBondContact O-N 3.3Å; V131-L134 WeakPolarHBondContact O-CB 3.3Å; V131-L134 PolarHBondContact O-N 3.27Å; V131-H135 PolarHBondContact O-N 2.96Å; V131-H135 PolarHBondContact O-ND1 2.94Å; V131-V165 HydrophobicContact CB-CG1 4.09Å; V131-V165 HydrophobicContact CG1-CG1 3.84Å; V131-V165 HydrophobicContact CG2-CG1 4.03Å; V131-V165 HydrophobicContact CG2-CG2 3.94Å; V131-L169 HydrophobicContact CG1-CD1 4.05Å; V131-L169 HydrophobicContact CG1-CD2 4.31Å; V131-L169 HydrophobicContact CG1-CG 4.41Å
132V94.1Very high93.4Very high64 Ų6478.8 Ų78.839%0.38843%0.43SS..Hα-helixtrans-60-43.8173.1170.90000110.7G128 E129 L134 H135 G136 A168 L169G128-V132 WeakPolarHBondContact O-CG2 3.3Å; G128-V132 PolarHBondContact O-N 3.36Å; E129-V132 PolarHBondContact O-N 2.85Å; V132-L134 VanDerWaalsContact C-N 3.31Å; V132-L134 PolarHBondContact O-N 3.35Å; V132-H135 PolarHBondContact O-N 3.5Å; V132-G136 PolarHBondContact O-N 3.14Å; V132-A168 HydrophobicContact CG2-CB 3.79Å; V132-A168 WeakPolarHBondContact CG2-O 3.38Å; V132-L169 HydrophobicContact CG2-CD2 4.08Å
133T95.9Very high92.8Very high96 Ų9685.9 Ų85.959%0.58944%0.444SS*.Hα-helixtrans-60.5-41.2177-56.20000111.6E129 F130 V131 G136 H137E129-T133 WeakPolarHBondContact O-CB 3.44Å; E129-T133 PolarHBondContact O-N 3Å; E129-T133 PolarHBondContact O-OG1 3.06Å; F130-T133 WeakPolarHBondContact O-CB 3.47Å; F130-T133 PolarHBondContact O-N 2.85Å; V131-T133 VanDerWaalsContact C-N 3.31Å; V131-T133 PolarHBondContact O-N 3.3Å; T133-G136 PolarHBondContact O-N 2.9Å; T133-H137 WeakPolarHBondContact O-CB 3.23Å; T133-H137 PolarHBondContact O-N 2.79Å
134L95.3Very high92.5Very high53 Ų5387 Ų8728%0.27746%0.455SS..Hα-helixtrans-64-42.3175.5-72.7175.1000112.5F130 V131 V132 G136 H137 F138F130-L134 HydrophobicContact CD1-CD1 4.07Å; F130-L134 HydrophobicContact CE1-CD1 3.48Å; F130-L134 VanDerWaalsContact CE1-CD1 3.48Å; F130-L134 HydrophobicContact CE1-CG 4.23Å; F130-L134 HydrophobicContact CE2-CD1 4.32Å; F130-L134 HydrophobicContact CE2-CD2 4.37Å; F130-L134 HydrophobicContact CE2-CG 4.22Å; F130-L134 HydrophobicContact CZ-CD1 3.63Å; F130-L134 HydrophobicContact CZ-CD2 4.18Å; F130-L134 HydrophobicContact CZ-CG 4Å; F130-L134 PolarHBondContact O-N 3.35Å; V131-L134 WeakPolarHBondContact O-CB 3.3Å; V131-L134 PolarHBondContact O-N 3.27Å; V132-L134 VanDerWaalsContact C-N 3.31Å; V132-L134 PolarHBondContact O-N 3.35Å; L134-G136 VanDerWaalsContact C-N 3.31Å; L134-G136 PolarHBondContact O-N 2.79Å; L134-H137 PolarHBondContact O-N 2.91Å; L134-F138 HydrophobicContact CD2-CE2 4.1Å; L134-F138 WeakPolarHBondContact O-CD2 3.42Å; L134-F138 PolarHBondContact O-N 3.45Å
135H94.4Very high92.3Very high34 Ų3491.3 Ų91.316%0.15749%0.49CS..Hα-helixtrans-59.7-44.7176.5-78.667.9000111.2V131 V132 F138 N139 W140V131-H135 PolarHBondContact O-N 2.96Å; V131-H135 PolarHBondContact O-ND1 2.94Å; V132-H135 PolarHBondContact O-N 3.5Å; H135-F138 PolarHBondContact O-N 3.16Å; H135-N139 WeakPolarHBondContact O-CA 3.37Å; H135-N139 PolarHBondContact O-N 2.78Å; H135-W140 HydrophobicContact CB-CB 4.29Å; H135-W140 AromaticContact CE1-CE3 3.9Å; H135-W140 AromaticContact CG-CE3 3.98Å; H135-W140 AromaticContact ND1-CE3 3.91Å; H135-W140 AromaticContact NE2-CE3 3.97Å; H135-W140 PolarHBondContact O-N 2.81Å
136G93.6Very high92.2Very high53 Ų5392.3 Ų92.355%0.54649%0.493SS..Hα-helixtrans-62.8-41.7175.400000112.8V132 T133 L134 F138 N139V132-G136 PolarHBondContact O-N 3.14Å; T133-G136 PolarHBondContact O-N 2.9Å; L134-G136 VanDerWaalsContact C-N 3.31Å; L134-G136 PolarHBondContact O-N 2.79Å; G136-F138 PolarHBondContact O-N 2.8Å; G136-N139 PolarHBondContact O-N 3.23Å
137H96.9Very high92.1Very high139 Ų13994.1 Ų94.164%0.64451%0.508SS*.Hα-helixtrans-63.9-40.3179.7-175.871.1000113T133 L134T133-H137 WeakPolarHBondContact O-CB 3.23Å; T133-H137 PolarHBondContact O-N 2.79Å; L134-H137 PolarHBondContact O-N 2.91Å
138F96.1Very high92.1Very high110 Ų11096.1 Ų96.148%0.48251%0.511SS..THydrogen-bonded Turntrans-97.47.4-177.8-67.1-68.5000114.3L134 H135 G136 W140L134-F138 HydrophobicContact CD2-CE2 4.1Å; L134-F138 WeakPolarHBondContact O-CD2 3.42Å; L134-F138 PolarHBondContact O-N 3.45Å; H135-F138 PolarHBondContact O-N 3.16Å; G136-F138 PolarHBondContact O-N 2.8Å; F138-W140 HydrophobicContact CB-CD2 4.09Å; F138-W140 HydrophobicContact CB-CG 4.17Å; F138-W140 HydrophobicContact CB-CZ2 4.19Å; F138-W140 HydrophobicContact CD2-CH2 4.33Å; F138-W140 HydrophobicContact CD2-CZ2 4.11Å; F138-W140 HydrophobicContact CG-CZ2 4.26Å; F138-W140 PolarHBondContact O-N 3.28Å
139N95.1Very high92Very high133 Ų133102 Ų10271%0.71154%0.542SS*.THydrogen-bonded Turntrans51.340.6-175-65-43.7000113.1H135 G136 T141H135-N139 WeakPolarHBondContact O-CA 3.37Å; H135-N139 PolarHBondContact O-N 2.78Å; G136-N139 PolarHBondContact O-N 3.23Å; N139-T141 PolarHBondContact O-N 3.35Å
140W93.4Very high91.9Very high145 Ų14599.1 Ų99.155%0.54953%0.53SS..  trans-76.1110175-67.6-15000110.1H135 F138H135-W140 HydrophobicContact CB-CB 4.29Å; H135-W140 AromaticContact CE1-CE3 3.9Å; H135-W140 AromaticContact CG-CE3 3.98Å; H135-W140 AromaticContact ND1-CE3 3.91Å; H135-W140 AromaticContact NE2-CE3 3.97Å; H135-W140 PolarHBondContact O-N 2.81Å; F138-W140 HydrophobicContact CB-CD2 4.09Å; F138-W140 HydrophobicContact CB-CG 4.17Å; F138-W140 HydrophobicContact CB-CZ2 4.19Å; F138-W140 HydrophobicContact CD2-CH2 4.33Å; F138-W140 HydrophobicContact CD2-CZ2 4.11Å; F138-W140 HydrophobicContact CG-CZ2 4.26Å; F138-W140 PolarHBondContact O-N 3.28Å
141T82.4Confident91.5Very high142 Ų14295.8 Ų95.887%0.87153%0.525SS*.  trans-109.2-7.8-177.9560000113.4N139N139-T141 PolarHBondContact O-N 3.35Å
142A78.9Confident91.1Very high80 Ų80103.4 Ų103.466%0.66155%0.55SS**SBendtrans-79.1158.2177.100000111.5A144A142-A144 PolarHBondContact O-N 3.08Å
143R76.1Confident90.6Very high253 Ų253106.8 Ų106.896%0.95557%0.572SS**PPolyproline II helixtrans-64.2127175.2-65-179.1178.9177.6-1110.1
144A88.6Confident90Very high51 Ų51105.2 Ų105.242%0.42156%0.56SS.*PPolyproline II helixtrans-76.9136.6169.900000110.4A142 L169A142-A144 PolarHBondContact O-N 3.08Å; A144-L169 HydrophobicContact CB-CD1 3.89Å
145A90.9Very high89.5Confident93 Ų93103.6 Ų103.677%0.76955%0.551SS**PPolyproline II helixtrans-99.8128.3167.700000108.8
146L92.8Very high89.3Confident55 Ų55103.8 Ų103.829%0.28855%0.55SS.*  trans-107.6124.9179.6-53.8-179.3000109.2I162 V165 F166L146-I162 HydrophobicContact CB-CD1 4.01Å; L146-I162 HydrophobicContact CB-CG1 3.79Å; L146-I162 HydrophobicContact CD1-CD1 4.23Å; L146-I162 HydrophobicContact CD1-CG1 4.05Å; L146-I162 HydrophobicContact CD2-CD1 4.03Å; L146-I162 HydrophobicContact CG-CD1 4.3Å; L146-I162 HydrophobicContact CG-CG1 4.36Å; L146-V165 HydrophobicContact CD1-CB 4.47Å; L146-V165 HydrophobicContact CD1-CG1 4.17Å; L146-V165 HydrophobicContact CD2-CG1 3.94Å; L146-F166 HydrophobicContact CD1-CB 3.66Å; L146-F166 HydrophobicContact CD1-CD2 4.08Å; L146-F166 HydrophobicContact CD1-CG 4.39Å
147L93.9Very high89.2Confident164 Ų164104.1 Ų104.186%0.85954%0.543SS*.  trans-122.4132.4178.6-65.9168.7000108.7
148Y94.1Very high89Confident109 Ų109102 Ų10243%0.42753%0.533SS..  trans-148.7154.8179.364.9-84.1000110.5D150 Y159 I162Y148-D150 HydrophobicContact CD2-CB 4.14Å; Y148-D150 HydrophobicContact CE2-CB 3.78Å; Y148-Y159 AromaticContact CE2-CD2 3.68Å; Y148-Y159 HydrophobicContact CE2-CD2 3.68Å; Y148-Y159 HydrophobicContact CE2-CG 4.33Å; Y148-Y159 AromaticContact CZ-CD2 3.86Å; Y148-I162 HydrophobicContact CD1-CB 4.29Å; Y148-I162 HydrophobicContact CD1-CG1 4.27Å; Y148-I162 HydrophobicContact CD1-CG2 3.34Å; Y148-I162 HydrophobicContact CD2-CG2 4.12Å; Y148-I162 HydrophobicContact CE1-CG2 3.74Å; Y148-I162 HydrophobicContact CE2-CG2 4.45Å; Y148-I162 HydrophobicContact CG-CB 4.42Å; Y148-I162 HydrophobicContact CG-CG2 3.55Å
149L93.7Very high89Confident124 Ų124100 Ų10065%0.64952%0.523SS*.  trans-86131.7172.2178.565.3000109.5H158L149-H158 WeakPolarHBondContact O-CB 3.41Å
150D93.4Very high88.9Confident36 Ų3694.4 Ų94.419%0.19349%0.492CS..  trans-127.989.5177.1-171.619.2000110Y148 R152 R156Y148-D150 HydrophobicContact CD2-CB 4.14Å; Y148-D150 HydrophobicContact CE2-CB 3.78Å; D150-R152 VanDerWaalsContact C-N 3.26Å; D150-R152 VanDerWaalsContact CG-CG 3.43Å; D150-R152 PolarHBondContact O-N 2.94Å; D150-R152 VanDerWaalsContact OD1-CG 3.29Å; D150-R152 WeakPolarHBondContact OD1-CG 3.36Å; D150-R152 WeakPolarHBondContact OD2-CG 3.44Å; D150-R152 IonicContact OD2-CZ 2.72Å; D150-R152 IonicContact OD2-NE 3.25Å; D150-R152 PolarHBondContact OD2-NE 3.47Å; D150-R152 IonicContact OD2-NH2 2.65Å; D150-R156 IonicContact OD1-CZ 3.52Å; D150-R156 IonicContact OD1-NE 2.78Å; D150-R156 PolarHBondContact OD1-NE 2.95Å; D150-R156 IonicContact OD1-NH2 3.38Å; D150-R156 PolarHBondContact OD1-NH2 3.12Å; D150-R156 IonicContact OD2-CZ 3.66Å; D150-R156 IonicContact OD2-NE 3.67Å; D150-R156 IonicContact OD2-NH2 2.82Å; D150-R156 PolarHBondContact OD2-NH2 3.09Å
151A87.8Confident88.9Confident50 Ų5090.5 Ų90.541%0.41348%0.484SS..  trans-69.8-25.5178.900000112.2T153A151-T153 PolarHBondContact O-N 3.07Å
152R85.2Confident89.5Confident187 Ų18785.3 Ų85.371%0.70645%0.451SS*.SBendtrans58.1-1.4-178.4-58.8-176.4176.4-164.82.5116.2D150D150-R152 VanDerWaalsContact C-N 3.26Å; D150-R152 VanDerWaalsContact CG-CG 3.43Å; D150-R152 PolarHBondContact O-N 2.94Å; D150-R152 VanDerWaalsContact OD1-CG 3.29Å; D150-R152 WeakPolarHBondContact OD1-CG 3.36Å; D150-R152 WeakPolarHBondContact OD2-CG 3.44Å; D150-R152 IonicContact OD2-CZ 2.72Å; D150-R152 IonicContact OD2-NE 3.25Å; D150-R152 PolarHBondContact OD2-NE 3.47Å; D150-R152 IonicContact OD2-NH2 2.65Å
153T83.5Confident90.3Very high136 Ų13682.5 Ų82.583%0.83442%0.424SS*.SBendtrans-108.72175.259.30000111.8A151A151-T153 PolarHBondContact O-N 3.07Å
154D84.1Confident91.2Very high63 Ų6370.5 Ų70.534%0.33738%0.379SS..SBendtrans-117.8-175.8177.167.1-11.8000110.4R156 P157D154-R156 WeakPolarHBondContact O-CG 3.15Å; D154-R156 PolarHBondContact O-N 2.66Å; D154-R156 WeakPolarHBondContact OD1-CA 3.31Å; D154-R156 PolarHBondContact OD1-N 2.89Å; D154-R156 VanDerWaalsContact OD1-N 3.08Å; D154-P157 WeakPolarHBondContact OD2-CD 3.32Å
155D84.6Confident91.5Very high18 Ų1868.5 Ų68.510%0.09636%0.362CS..  trans-73.717.4176-163.542.8000112.8C79 V80 Y81 P157 F160C79-D155 WeakPolarHBondContact CA-OD2 3.38Å; C79-D155 WeakPolarHBondContact CB-OD2 3.43Å; V80-D155 PolarHBondContact N-OD1 3.11Å; V80-D155 VanDerWaalsContact N-OD1 3.12Å; V80-D155 PolarHBondContact N-OD2 3.43Å; Y81-D155 PolarHBondContact N-OD1 2.64Å; D155-P157 VanDerWaalsContact C-CD 3.49Å; D155-F160 WeakPolarHBondContact O-CD2 3.49Å; D155-F160 WeakPolarHBondContact O-CE2 3.38Å
156R91.1Very high91.7Very high39 Ų3968.9 Ų68.915%0.14735%0.346CS..  trans41.850.9177.9-54.517575.8-150.8-2.3114.2Y81 D150 D154 H158 Y159 F160Y81-R156 HydrophobicContact CE2-CG 4.26Å; Y81-R156 WeakPolarHBondContact OH-CD 3.46Å; Y81-R156 PolarHBondContact OH-NH1 3.46Å; D150-R156 IonicContact OD1-CZ 3.52Å; D150-R156 IonicContact OD1-NE 2.78Å; D150-R156 PolarHBondContact OD1-NE 2.95Å; D150-R156 IonicContact OD1-NH2 3.38Å; D150-R156 PolarHBondContact OD1-NH2 3.12Å; D150-R156 IonicContact OD2-CZ 3.66Å; D150-R156 IonicContact OD2-NE 3.67Å; D150-R156 IonicContact OD2-NH2 2.82Å; D150-R156 PolarHBondContact OD2-NH2 3.09Å; D154-R156 WeakPolarHBondContact O-CG 3.15Å; D154-R156 PolarHBondContact O-N 2.66Å; D154-R156 WeakPolarHBondContact OD1-CA 3.31Å; D154-R156 PolarHBondContact OD1-N 2.89Å; D154-R156 VanDerWaalsContact OD1-N 3.08Å; R156-H158 VanDerWaalsContact C-N 3.28Å; R156-H158 PolarHBondContact O-N 2.88Å; R156-Y159 WeakPolarHBondContact O-CB 3.5Å; R156-Y159 PolarHBondContact O-N 3.48Å; R156-Y159 VanDerWaalsContact O-N 3.16Å; R156-F160 HydrophobicContact CB-CD2 4.23Å; R156-F160 HydrophobicContact CB-CE2 4.01Å; R156-F160 VanDerWaalsContact O-CD2 3.23Å; R156-F160 WeakPolarHBondContact O-CD2 3.44Å; R156-F160 PolarHBondContact O-N 2.98Å; R156-F160 VanDerWaalsContact O-N 3.09Å
157P89.9Confident91.7Very high59 Ų5970.7 Ų70.738%0.38335%0.353SS..Hα-helixtrans-61.2-35.5-172.225.7-34.9000112.7D154 D155 T161D154-P157 WeakPolarHBondContact OD2-CD 3.32Å; D155-P157 VanDerWaalsContact C-CD 3.49Å; P157-T161 WeakPolarHBondContact O-CB 3.31Å; P157-T161 PolarHBondContact O-N 3.45Å; P157-T161 PolarHBondContact O-OG1 3.13Å
158H93.8Very high91.7Very high94 Ų9464.3 Ų64.344%0.43532%0.324SS..Hα-helixtrans-73.6-36.4179.7-54.8-54.3000112.8L149 R156 T161 I162L149-H158 WeakPolarHBondContact O-CB 3.41Å; R156-H158 VanDerWaalsContact C-N 3.28Å; R156-H158 PolarHBondContact O-N 2.88Å; H158-T161 PolarHBondContact O-N 2.93Å; H158-I162 WeakPolarHBondContact O-CB 3.43Å; H158-I162 WeakPolarHBondContact O-CG2 3.41Å; H158-I162 PolarHBondContact O-N 3.43Å
159Y95Very high91.6Very high70 Ų7061.8 Ų61.828%0.27532%0.318SS..Hα-helixtrans-60.9-53.8172.7173.2-90000110Y148 R156 T161 I162 E163Y148-Y159 AromaticContact CE2-CD2 3.68Å; Y148-Y159 HydrophobicContact CE2-CD2 3.68Å; Y148-Y159 HydrophobicContact CE2-CG 4.33Å; Y148-Y159 AromaticContact CZ-CD2 3.86Å; R156-Y159 WeakPolarHBondContact O-CB 3.5Å; R156-Y159 PolarHBondContact O-N 3.48Å; R156-Y159 VanDerWaalsContact O-N 3.16Å; Y159-T161 PolarHBondContact O-N 3.43Å; Y159-I162 WeakPolarHBondContact O-CG2 3.3Å; Y159-I162 PolarHBondContact O-N 3.48Å; Y159-I162 VanDerWaalsContact O-N 3.16Å; Y159-E163 VanDerWaalsContact CE1-OE2 3.29Å; Y159-E163 WeakPolarHBondContact CE1-OE2 3.38Å; Y159-E163 PolarHBondContact O-N 2.9Å
160F94.6Very high91.2Very high15 Ų1562.3 Ų62.37%0.06632%0.317CS..Hα-helixtrans-66.1-28.7-179.1-65.8-61000112.3V80 Y81 V103 A104 A124 D155 R156 E163V80-F160 HydrophobicContact CB-CD2 3.76Å; V80-F160 HydrophobicContact CB-CE2 3.57Å; V80-F160 HydrophobicContact CB-CG 4.4Å; V80-F160 HydrophobicContact CB-CZ 4.07Å; V80-F160 HydrophobicContact CG1-CD1 4.06Å; V80-F160 HydrophobicContact CG1-CD2 3.82Å; V80-F160 HydrophobicContact CG1-CE1 3.7Å; V80-F160 HydrophobicContact CG1-CE2 3.41Å; V80-F160 VanDerWaalsContact CG1-CE2 3.41Å; V80-F160 HydrophobicContact CG1-CG 4.14Å; V80-F160 HydrophobicContact CG1-CZ 3.35Å; V80-F160 HydrophobicContact CG2-CB 4.39Å; V80-F160 HydrophobicContact CG2-CD2 3.55Å; V80-F160 HydrophobicContact CG2-CE2 3.94Å; V80-F160 HydrophobicContact CG2-CG 3.94Å; Y81-F160 HydrophobicContact CE1-CZ 4.01Å; Y81-F160 HydrophobicContact CE2-CE2 4.06Å; Y81-F160 HydrophobicContact CE2-CZ 4.23Å; Y81-F160 AromaticContact CZ-CZ 3.83Å; V103-F160 HydrophobicContact CG2-CB 3.89Å; A104-F160 HydrophobicContact CB-CB 4.48Å; A104-F160 HydrophobicContact CB-CD1 3.51Å; A104-F160 HydrophobicContact CB-CE1 3.96Å; A104-F160 HydrophobicContact CB-CG 4.13Å; A124-F160 WeakPolarHBondContact CB-O 3.4Å; D155-F160 WeakPolarHBondContact O-CD2 3.49Å; D155-F160 WeakPolarHBondContact O-CE2 3.38Å; R156-F160 HydrophobicContact CB-CD2 4.23Å; R156-F160 HydrophobicContact CB-CE2 4.01Å; R156-F160 VanDerWaalsContact O-CD2 3.23Å; R156-F160 WeakPolarHBondContact O-CD2 3.44Å; R156-F160 PolarHBondContact O-N 2.98Å; R156-F160 VanDerWaalsContact O-N 3.09Å; F160-E163 WeakPolarHBondContact CD1-OE1 3.5Å; F160-E163 WeakPolarHBondContact CD1-OE2 3.5Å; F160-E163 WeakPolarHBondContact O-CG 3.34Å
161T92.8Very high89.7Confident62 Ų6266.5 Ų66.538%0.3837%0.368SS..Hα-helixtrans-67.8-45173.6-59.80000111.5L127 P157 H158 Y159L127-T161 HydrophobicContact CD2-CG2 3.43Å; L127-T161 VanDerWaalsContact CD2-CG2 3.43Å; P157-T161 WeakPolarHBondContact O-CB 3.31Å; P157-T161 PolarHBondContact O-N 3.45Å; P157-T161 PolarHBondContact O-OG1 3.13Å; H158-T161 PolarHBondContact O-N 2.93Å; Y159-T161 PolarHBondContact O-N 3.43Å
162I95.1Very high89.8Confident34 Ų3467.3 Ų67.317%0.17437%0.366CS..Hα-helixtrans-78.6-25-174.8-155.461.8000112.9L146 Y148 H158 Y159 G164 V165 F166L146-I162 HydrophobicContact CB-CD1 4.01Å; L146-I162 HydrophobicContact CB-CG1 3.79Å; L146-I162 HydrophobicContact CD1-CD1 4.23Å; L146-I162 HydrophobicContact CD1-CG1 4.05Å; L146-I162 HydrophobicContact CD2-CD1 4.03Å; L146-I162 HydrophobicContact CG-CD1 4.3Å; L146-I162 HydrophobicContact CG-CG1 4.36Å; Y148-I162 HydrophobicContact CD1-CB 4.29Å; Y148-I162 HydrophobicContact CD1-CG1 4.27Å; Y148-I162 HydrophobicContact CD1-CG2 3.34Å; Y148-I162 HydrophobicContact CD2-CG2 4.12Å; Y148-I162 HydrophobicContact CE1-CG2 3.74Å; Y148-I162 HydrophobicContact CE2-CG2 4.45Å; Y148-I162 HydrophobicContact CG-CB 4.42Å; Y148-I162 HydrophobicContact CG-CG2 3.55Å; H158-I162 WeakPolarHBondContact O-CB 3.43Å; H158-I162 WeakPolarHBondContact O-CG2 3.41Å; H158-I162 PolarHBondContact O-N 3.43Å; Y159-I162 WeakPolarHBondContact O-CG2 3.3Å; Y159-I162 PolarHBondContact O-N 3.48Å; Y159-I162 VanDerWaalsContact O-N 3.16Å; I162-G164 VanDerWaalsContact C-N 3.3Å; I162-G164 PolarHBondContact O-N 2.77Å; I162-V165 HydrophobicContact CD1-CB 4.3Å; I162-V165 WeakPolarHBondContact O-CB 3.41Å; I162-V165 PolarHBondContact O-N 3.23Å; I162-V165 VanDerWaalsContact O-N 3.13Å; I162-F166 PolarHBondContact O-N 3.2Å
163E95.3Very high90.1Very high21 Ų2161 Ų6110%0.09835%0.348CS..Hα-helixtrans-59.5-42.2-179.185.7-170.9170.400111.2A104 S105 A124 Y159 F160 V165 F166 E167A104-E163 WeakPolarHBondContact CA-OE1 3.28Å; A104-E163 VanDerWaalsContact CB-OE1 3.29Å; A104-E163 WeakPolarHBondContact CB-OE1 3.01Å; S105-E163 PolarHBondContact N-OE1 3.17Å; A124-E163 HydrophobicContact CB-CG 4.41Å; Y159-E163 VanDerWaalsContact CE1-OE2 3.29Å; Y159-E163 WeakPolarHBondContact CE1-OE2 3.38Å; Y159-E163 PolarHBondContact O-N 2.9Å; F160-E163 WeakPolarHBondContact CD1-OE1 3.5Å; F160-E163 WeakPolarHBondContact CD1-OE2 3.5Å; F160-E163 WeakPolarHBondContact O-CG 3.34Å; E163-V165 VanDerWaalsContact C-N 3.28Å; E163-V165 PolarHBondContact O-N 3.1Å; E163-F166 WeakPolarHBondContact O-CB 3.21Å; E163-F166 PolarHBondContact O-N 3.4Å; E163-E167 WeakPolarHBondContact O-CB 3.35Å; E163-E167 VanDerWaalsContact O-CG 3.32Å; E163-E167 WeakPolarHBondContact O-CG 3.45Å; E163-E167 PolarHBondContact O-N 2.86Å
164G94.7Very high90.5Very high1 Ų156.8 Ų56.81%0.0132%0.321CS..Hα-helixtrans-67.6-31.7-179.900000112.3G128 I162 A168G128-G164 WeakPolarHBondContact CA-O 3.36Å; I162-G164 VanDerWaalsContact C-N 3.3Å; I162-G164 PolarHBondContact O-N 2.77Å; G164-A168 VanDerWaalsContact O-CB 3.24Å; G164-A168 WeakPolarHBondContact O-CB 3.49Å; G164-A168 PolarHBondContact O-N 2.94Å; G164-A168 VanDerWaalsContact O-N 3.15Å
165V95.1Very high90.8Very high9 Ų956.5 Ų56.56%0.05532%0.32CS..Hα-helixtrans-70-44.1172.7-179.80000110.8L127 V131 L146 I162 E163 A168 L169L127-V165 HydrophobicContact CD2-CG2 4.09Å; L127-V165 HydrophobicContact CG-CG2 3.96Å; V131-V165 HydrophobicContact CB-CG1 4.09Å; V131-V165 HydrophobicContact CG1-CG1 3.84Å; V131-V165 HydrophobicContact CG2-CG1 4.03Å; V131-V165 HydrophobicContact CG2-CG2 3.94Å; L146-V165 HydrophobicContact CD1-CB 4.47Å; L146-V165 HydrophobicContact CD1-CG1 4.17Å; L146-V165 HydrophobicContact CD2-CG1 3.94Å; I162-V165 HydrophobicContact CD1-CB 4.3Å; I162-V165 WeakPolarHBondContact O-CB 3.41Å; I162-V165 PolarHBondContact O-N 3.23Å; I162-V165 VanDerWaalsContact O-N 3.13Å; E163-V165 VanDerWaalsContact C-N 3.28Å; E163-V165 PolarHBondContact O-N 3.1Å; V165-A168 PolarHBondContact O-N 3.18Å; V165-L169 HydrophobicContact CG1-CD1 3.79Å; V165-L169 HydrophobicContact CG1-CG 4.4Å; V165-L169 WeakPolarHBondContact O-CB 3.42Å; V165-L169 WeakPolarHBondContact O-CG 3.28Å; V165-L169 PolarHBondContact O-N 3.07Å
166F94.5Very high91.2Very high100 Ų10058.9 Ų58.944%0.43933%0.334SS..Hα-helixtrans-59.9-52.9177.2178.4-102.8000111.5L146 I162 E163 A168 L169 Q170L146-F166 HydrophobicContact CD1-CB 3.66Å; L146-F166 HydrophobicContact CD1-CD2 4.08Å; L146-F166 HydrophobicContact CD1-CG 4.39Å; I162-F166 PolarHBondContact O-N 3.2Å; E163-F166 WeakPolarHBondContact O-CB 3.21Å; E163-F166 PolarHBondContact O-N 3.4Å; F166-A168 VanDerWaalsContact C-N 3.3Å; F166-A168 PolarHBondContact O-N 2.87Å; F166-L169 PolarHBondContact O-N 2.9Å; F166-Q170 HydrophobicContact CD1-CG 4.37Å; F166-Q170 HydrophobicContact CD2-CG 4.4Å; F166-Q170 HydrophobicContact CE1-CG 4.11Å; F166-Q170 HydrophobicContact CE2-CG 4.14Å; F166-Q170 HydrophobicContact CZ-CG 4.02Å; F166-Q170 WeakPolarHBondContact O-CG 3.27Å; F166-Q170 PolarHBondContact O-N 3.39Å
167E94.4Very high91.2Very high93 Ų9360.2 Ų60.244%0.43535%0.346SS..Hα-helixtrans-56.4-43.8178.5-72.5173.2179.700111.6S105 E163 L169 Q170S105-E167 WeakPolarHBondContact CB-OE1 3.19Å; S105-E167 WeakPolarHBondContact CB-OE2 3.25Å; S105-E167 PolarHBondContact OG-OE1 3Å; S105-E167 PolarHBondContact OG-OE2 3.39Å; E163-E167 WeakPolarHBondContact O-CB 3.35Å; E163-E167 VanDerWaalsContact O-CG 3.32Å; E163-E167 WeakPolarHBondContact O-CG 3.45Å; E163-E167 PolarHBondContact O-N 2.86Å; E167-L169 PolarHBondContact O-N 2.85Å; E167-Q170 PolarHBondContact O-N 2.73Å
168A93.8Very high91.3Very high31 Ų3160.3 Ų60.326%0.25634%0.344SS..Hα-helixtrans-70-30.5-178.600000113.8V132 G164 V165 F166V132-A168 HydrophobicContact CG2-CB 3.79Å; V132-A168 WeakPolarHBondContact CG2-O 3.38Å; G164-A168 VanDerWaalsContact O-CB 3.24Å; G164-A168 WeakPolarHBondContact O-CB 3.49Å; G164-A168 PolarHBondContact O-N 2.94Å; G164-A168 VanDerWaalsContact O-N 3.15Å; V165-A168 PolarHBondContact O-N 3.18Å; F166-A168 VanDerWaalsContact C-N 3.3Å; F166-A168 PolarHBondContact O-N 2.87Å
169L91.1Very high91.1Very high55 Ų5557.7 Ų57.729%0.28834%0.337SS..Hα-helixtrans-88.3-12.2178.4-68.3176.1000113.7V131 V132 A144 V165 F166 E167V131-L169 HydrophobicContact CG1-CD1 4.05Å; V131-L169 HydrophobicContact CG1-CD2 4.31Å; V131-L169 HydrophobicContact CG1-CG 4.41Å; V132-L169 HydrophobicContact CG2-CD2 4.08Å; A144-L169 HydrophobicContact CB-CD1 3.89Å; V165-L169 HydrophobicContact CG1-CD1 3.79Å; V165-L169 HydrophobicContact CG1-CG 4.4Å; V165-L169 WeakPolarHBondContact O-CB 3.42Å; V165-L169 WeakPolarHBondContact O-CG 3.28Å; V165-L169 PolarHBondContact O-N 3.07Å; F166-L169 PolarHBondContact O-N 2.9Å; E167-L169 PolarHBondContact O-N 2.85Å
170Q84.9Confident90.8Very high136 Ų13656.7 Ų56.764%0.63634%0.342SS*.Hα-helixtrans-81.8-24.1174.4-79.3-161.2-44.600113.7F166 E167F166-Q170 HydrophobicContact CD1-CG 4.37Å; F166-Q170 HydrophobicContact CD2-CG 4.4Å; F166-Q170 HydrophobicContact CE1-CG 4.11Å; F166-Q170 HydrophobicContact CE2-CG 4.14Å; F166-Q170 HydrophobicContact CZ-CG 4.02Å; F166-Q170 WeakPolarHBondContact O-CG 3.27Å; F166-Q170 PolarHBondContact O-N 3.39Å; E167-Q170 PolarHBondContact O-N 2.73Å
171G63.5Low90.5Very high123 Ų12360.5 Ų60.5100%1.26837%0.367SS*.  trans-77.40175.800000112.9

Retrieved 171 of 171 residues in 605.4 ms (Link to these results)

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