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Glutathione synthetase

Catalyzes the production of glutathione from gamma-glutamylcysteine and glycine in an ATP-dependent manner. Glutathione (gamma-glutamylcysteinylglycine, GSH) is the most abundant intracellular thiol in living aerobic cells and is required for numerous processes including the protection of cells against oxidative damage, amino acid transport, the detoxification of foreign compounds, the maintenance of protein sulfhydryl groups in a reduced state and acts as a cofactor for a number of enzymes. Participates in ophthalmate biosynthesis in hepatocytes.

AlphaFold DB , UniProt , Accession A0A087YNM6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 476 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
1M34.4Very low74.8Confident240 Ų24086.5 Ų86.5100%1.18244%0.442SS*.  0100.30-65.3-176.9-16000106.6S3M1-S3 PolarHBondContact O-N 2.76Å
2A41.3Very low76.4Confident48 Ų4885.4 Ų85.440%0.39744%0.438SS..PPolyproline II helixtrans-71.2119.3178.900000108.8R4 V476A2-R4 PolarHBondContact O-N 3.2Å; A2-V476 HydrophobicContact CB-CB 3.75Å; A2-V476 HydrophobicContact CB-CG1 4.04Å; A2-V476 WeakPolarHBondContact CB-OXT 3.33Å
3S56.3Low77.8Confident43 Ų4384.8 Ų84.830%0.30145%0.454SS..PPolyproline II helixtrans-68.8120.5-166.7440000111.7M1 E176 R179M1-S3 PolarHBondContact O-N 2.76Å; S3-E176 PolarHBondContact OG-OE1 2.97Å; S3-R179 PolarHBondContact OG-NH2 2.86Å
4R75.9Confident79Confident154 Ų15483.9 Ų83.958%0.58146%0.464SS*.PPolyproline II helixtrans-60.7160.9150.2-63.2-178176.4178.9-3.2108.1A2 P6 P57A2-R4 PolarHBondContact O-N 3.2Å; R4-P6 WeakPolarHBondContact O-CD 3.22Å; R4-P57 HydrophobicContact CG-CB 4.4Å; R4-P57 HydrophobicContact CG-CG 4.19Å
5I85.8Confident80.1Confident19 Ų1981 Ų8110%0.09745%0.447CS..PPolyproline II helixtrans-55.3124.3169.3-54.4-56.4000107.9V9 M10 F54 L168I5-V9 HydrophobicContact CG2-CB 4.06Å; I5-V9 HydrophobicContact CG2-CG1 4Å; I5-M10 HydrophobicContact CB-CG 4.43Å; I5-M10 HydrophobicContact CB-SD 4.28Å; I5-M10 HydrophobicContact CG2-CG 4Å; I5-M10 HydrophobicContact CG2-SD 3.86Å; I5-F54 HydrophobicContact CD1-CD1 4.19Å; I5-F54 HydrophobicContact CG1-CB 3.91Å; I5-F54 HydrophobicContact CG1-CD1 4.14Å; I5-F54 HydrophobicContact CG1-CG 3.99Å; I5-F54 HydrophobicContact CG2-CD1 4.42Å; I5-F54 HydrophobicContact CG2-CD2 4.48Å; I5-F54 HydrophobicContact CG2-CE1 4.41Å; I5-F54 HydrophobicContact CG2-CE2 4.46Å; I5-F54 HydrophobicContact CG2-CG 4.45Å; I5-F54 HydrophobicContact CG2-CZ 4.43Å; I5-L168 HydrophobicContact CD1-CD2 3.6Å
6P85.5Confident81.1Confident39 Ų3976.1 Ų76.125%0.25342%0.42SS..PPolyproline II helixtrans-61.3141.6-175.7-29.239.6000112.3R4 E8 V9 M10R4-P6 WeakPolarHBondContact O-CD 3.22Å; P6-E8 PolarHBondContact O-N 3.02Å; P6-E8 VanDerWaalsContact O-N 3.15Å; P6-V9 WeakPolarHBondContact O-CB 3.49Å; P6-V9 PolarHBondContact O-N 3.26Å; P6-M10 PolarHBondContact O-N 2.86Å
7D85.9Confident82.1Confident113 Ų11381.2 Ų81.260%0.60444%0.437SS*.Hα-helixtrans-56.3-35.1-178-64.2-19.7000111.9V9 M10 I11D7-V9 VanDerWaalsContact C-N 3.27Å; D7-V9 PolarHBondContact O-N 3.19Å; D7-M10 WeakPolarHBondContact O-CB 3.42Å; D7-M10 PolarHBondContact O-N 3.21Å; D7-I11 WeakPolarHBondContact O-CG1 3.33Å; D7-I11 WeakPolarHBondContact O-CG2 3.24Å; D7-I11 PolarHBondContact O-N 3.27Å
8E87.9Confident82.9Confident156 Ų15683.3 Ų83.373%0.72944%0.444SS*.Hα-helixtrans-55.6-38.6175-63.1174.2-172.800113P6 D12P6-E8 PolarHBondContact O-N 3.02Å; P6-E8 VanDerWaalsContact O-N 3.15Å; E8-D12 PolarHBondContact O-N 2.73Å
9V88.6Confident83.7Confident10 Ų1078.9 Ų78.96%0.06142%0.42CS..Hα-helixtrans-71.8-40.6175.2175.20000110.4I5 P6 D7 I11 L15 I16 F54I5-V9 HydrophobicContact CG2-CB 4.06Å; I5-V9 HydrophobicContact CG2-CG1 4Å; P6-V9 WeakPolarHBondContact O-CB 3.49Å; P6-V9 PolarHBondContact O-N 3.26Å; D7-V9 VanDerWaalsContact C-N 3.27Å; D7-V9 PolarHBondContact O-N 3.19Å; V9-I11 VanDerWaalsContact C-N 3.28Å; V9-I11 PolarHBondContact O-N 2.68Å; V9-L15 HydrophobicContact CG1-CD2 4Å; V9-I16 WeakPolarHBondContact O-CD1 3.42Å; V9-F54 HydrophobicContact CG1-CZ 3.94Å
10M89.4Confident84.4Confident5 Ų575.1 Ų75.13%0.02540%0.401CS..Hα-helixtrans-67.8-27.1-175.8-67.5-63.7-69.500112.8I5 P6 D7 F54 Y411 I421I5-M10 HydrophobicContact CB-CG 4.43Å; I5-M10 HydrophobicContact CB-SD 4.28Å; I5-M10 HydrophobicContact CG2-CG 4Å; I5-M10 HydrophobicContact CG2-SD 3.86Å; P6-M10 PolarHBondContact O-N 2.86Å; D7-M10 WeakPolarHBondContact O-CB 3.42Å; D7-M10 PolarHBondContact O-N 3.21Å; M10-F54 HydrophobicContact CE-CD2 4.3Å; M10-F54 HydrophobicContact SD-CD2 3.45Å; M10-F54 WeakPolarHBondContact SD-CD2 3.22Å; M10-F54 HydrophobicContact SD-CE2 3.48Å; M10-F54 WeakPolarHBondContact SD-CE2 3.41Å; M10-F54 HydrophobicContact SD-CG 4.48Å; M10-Y411 HydrophobicContact CE-CD2 3.8Å; M10-Y411 HydrophobicContact CE-CE2 3.74Å; M10-Y411 WeakPolarHBondContact O-CE2 3.12Å; M10-Y411 PolarHBondContact O-OH 3.04Å; M10-Y411 HydrophobicContact SD-CE2 4.34Å; M10-I421 HydrophobicContact CB-CD1 4.28Å; M10-I421 HydrophobicContact CE-CD1 4.16Å; M10-I421 HydrophobicContact CE-CG1 4.39Å
11I91.8Very high85Confident124 Ų12473 Ų7364%0.63640%0.397SS*.Hα-helixtrans-98.8-9.4-177.969.2-178.7000114.3D7 V9 A13D7-I11 WeakPolarHBondContact O-CG1 3.33Å; D7-I11 WeakPolarHBondContact O-CG2 3.24Å; D7-I11 PolarHBondContact O-N 3.27Å; V9-I11 VanDerWaalsContact C-N 3.28Å; V9-I11 PolarHBondContact O-N 2.68Å; I11-A13 PolarHBondContact O-N 3.1Å
12D94Very high88.1Confident74 Ų7463.3 Ų63.340%0.39635%0.351SS..  trans-72.895.6175.5-176-22000110.6E8 A14 L15 I16E8-D12 PolarHBondContact O-N 2.73Å; D12-A14 VanDerWaalsContact C-N 3.26Å; D12-A14 PolarHBondContact O-N 2.97Å; D12-A14 PolarHBondContact OD1-N 2.8Å; D12-L15 HydrophobicContact CB-CB 3.88Å; D12-L15 VanDerWaalsContact CG-CB 3.46Å; D12-L15 PolarHBondContact O-N 3.38Å; D12-L15 PolarHBondContact OD1-N 3.05Å; D12-I16 WeakPolarHBondContact O-CB 3.36Å; D12-I16 VanDerWaalsContact O-CG1 3.24Å; D12-I16 WeakPolarHBondContact O-CG1 3.42Å; D12-I16 PolarHBondContact O-N 3.47Å
13A94.2Very high90.8Very high77 Ų7761 Ų6164%0.63633%0.332SS*.Hα-helixtrans-60.4-31.6-176.100000114I11 K17I11-A13 PolarHBondContact O-N 3.1Å; A13-K17 WeakPolarHBondContact O-CB 3.08Å; A13-K17 PolarHBondContact O-N 2.93Å; A13-K17 VanDerWaalsContact O-N 3.15Å
14A95.2Very high92.8Very high73 Ų7362.1 Ų62.160%0.60333%0.332SS*.Hα-helixtrans-72.5-48.4179.600000110.1D12 K17 E18D12-A14 VanDerWaalsContact C-N 3.26Å; D12-A14 PolarHBondContact O-N 2.97Å; D12-A14 PolarHBondContact OD1-N 2.8Å; A14-K17 PolarHBondContact O-N 2.78Å; A14-E18 PolarHBondContact O-N 3.2Å; A14-E18 VanDerWaalsContact O-N 3.09Å
15L94.9Very high93.9Very high40 Ų4059.7 Ų59.721%0.20933%0.33CS..Hα-helixtrans-60.9-47176.2178.961000111.5V9 D12 K17 E18 L19V9-L15 HydrophobicContact CG1-CD2 4Å; D12-L15 HydrophobicContact CB-CB 3.88Å; D12-L15 VanDerWaalsContact CG-CB 3.46Å; D12-L15 PolarHBondContact O-N 3.38Å; D12-L15 PolarHBondContact OD1-N 3.05Å; L15-K17 VanDerWaalsContact C-N 3.3Å; L15-K17 PolarHBondContact O-N 2.99Å; L15-E18 WeakPolarHBondContact O-CB 3.22Å; L15-E18 PolarHBondContact O-N 2.54Å; L15-L19 HydrophobicContact CD1-CD1 3.97Å; L15-L19 HydrophobicContact CD1-CD2 4.37Å; L15-L19 HydrophobicContact CD1-CG 3.91Å; L15-L19 HydrophobicContact CD2-CD1 4.41Å; L15-L19 HydrophobicContact CG-CD1 3.8Å; L15-L19 HydrophobicContact CG-CG 4.16Å; L15-L19 WeakPolarHBondContact O-CB 3.44Å; L15-L19 VanDerWaalsContact O-CG 3.3Å; L15-L19 WeakPolarHBondContact O-CG 3.05Å; L15-L19 PolarHBondContact O-N 3.27Å
16I97.1Very high94.5Very high3 Ų359.3 Ų59.32%0.01533%0.328CS..Hα-helixtrans-61.2-38.9179.8-69.4-55.7000111.6V9 D12 A20 L53 F54 Y411 L419V9-I16 WeakPolarHBondContact O-CD1 3.42Å; D12-I16 WeakPolarHBondContact O-CB 3.36Å; D12-I16 VanDerWaalsContact O-CG1 3.24Å; D12-I16 WeakPolarHBondContact O-CG1 3.42Å; D12-I16 PolarHBondContact O-N 3.47Å; I16-A20 VanDerWaalsContact O-CB 3.22Å; I16-A20 WeakPolarHBondContact O-CB 3.47Å; I16-A20 PolarHBondContact O-N 2.93Å; I16-L53 HydrophobicContact CD1-CD2 3.95Å; I16-L53 HydrophobicContact CG2-CD2 4.21Å; I16-F54 HydrophobicContact CD1-CE2 3.71Å; I16-F54 HydrophobicContact CD1-CZ 4Å; I16-Y411 HydrophobicContact CD1-CD2 4.2Å; I16-Y411 HydrophobicContact CD1-CE2 3.73Å; I16-Y411 HydrophobicContact CG1-CE2 3.9Å; I16-Y411 HydrophobicContact CG2-CD1 4.08Å; I16-Y411 HydrophobicContact CG2-CD2 4.21Å; I16-Y411 HydrophobicContact CG2-CE1 3.74Å; I16-Y411 HydrophobicContact CG2-CE2 3.9Å; I16-Y411 HydrophobicContact CG2-CG 4.3Å; I16-L419 HydrophobicContact CG2-CD1 4.25Å; I16-L419 HydrophobicContact CG2-CD2 3.6Å; I16-L419 HydrophobicContact CG2-CG 3.89Å
17K96.9Very high95.1Very high162 Ų16257.4 Ų57.470%0.70432%0.316SS*.Hα-helixtrans-64.8-42.7176-175.9179.7178-176.60111.9A13 A14 L15 G21A13-K17 WeakPolarHBondContact O-CB 3.08Å; A13-K17 PolarHBondContact O-N 2.93Å; A13-K17 VanDerWaalsContact O-N 3.15Å; A14-K17 PolarHBondContact O-N 2.78Å; L15-K17 VanDerWaalsContact C-N 3.3Å; L15-K17 PolarHBondContact O-N 2.99Å; K17-G21 PolarHBondContact O-N 2.77Å
18E97.1Very high95.7Very high119 Ų11955.4 Ų55.456%0.55631%0.305SS*.Hα-helixtrans-62.6-53.6175.4-176.6-176.7161.300111.1A14 L15 A20 G21 V22A14-E18 PolarHBondContact O-N 3.2Å; A14-E18 VanDerWaalsContact O-N 3.09Å; L15-E18 WeakPolarHBondContact O-CB 3.22Å; L15-E18 PolarHBondContact O-N 2.54Å; E18-A20 VanDerWaalsContact C-N 3.29Å; E18-A20 PolarHBondContact O-N 2.89Å; E18-G21 WeakPolarHBondContact O-CA 3.44Å; E18-G21 PolarHBondContact O-N 2.92Å; E18-V22 PolarHBondContact O-N 3.11Å
19L98Very high96.1Very high0 Ų055 Ų550%031%0.307CS..Hα-helixtrans-58.5-39.8179.7-68.4177.2000111.9L15 G21 V22 A23 L53 F54 I167 V170 A171L15-L19 HydrophobicContact CD1-CD1 3.97Å; L15-L19 HydrophobicContact CD1-CD2 4.37Å; L15-L19 HydrophobicContact CD1-CG 3.91Å; L15-L19 HydrophobicContact CD2-CD1 4.41Å; L15-L19 HydrophobicContact CG-CD1 3.8Å; L15-L19 HydrophobicContact CG-CG 4.16Å; L15-L19 WeakPolarHBondContact O-CB 3.44Å; L15-L19 VanDerWaalsContact O-CG 3.3Å; L15-L19 WeakPolarHBondContact O-CG 3.05Å; L15-L19 PolarHBondContact O-N 3.27Å; L19-G21 VanDerWaalsContact C-N 3.3Å; L19-G21 PolarHBondContact O-N 3.25Å; L19-V22 PolarHBondContact O-N 3.13Å; L19-A23 WeakPolarHBondContact O-CB 3.43Å; L19-A23 PolarHBondContact O-N 2.88Å; L19-L53 HydrophobicContact CB-CD1 4.14Å; L19-L53 HydrophobicContact CB-CD2 4.45Å; L19-F54 HydrophobicContact CD1-CE1 4.11Å; L19-F54 HydrophobicContact CD1-CZ 3.7Å; L19-I167 HydrophobicContact CD2-CG2 4.43Å; L19-V170 HydrophobicContact CD2-CB 3.94Å; L19-V170 HydrophobicContact CD2-CG1 3.63Å; L19-A171 HydrophobicContact CD1-CB 3.87Å; L19-A171 HydrophobicContact CD2-CB 4.12Å
20A97.7Very high96.6Very high3 Ų357.9 Ų57.93%0.02532%0.32CS..Hα-helixtrans-65.4-32.6176.700000112.9I16 E18 K24 L413 L419I16-A20 VanDerWaalsContact O-CB 3.22Å; I16-A20 WeakPolarHBondContact O-CB 3.47Å; I16-A20 PolarHBondContact O-N 2.93Å; E18-A20 VanDerWaalsContact C-N 3.29Å; E18-A20 PolarHBondContact O-N 2.89Å; A20-K24 WeakPolarHBondContact O-CD 3.46Å; A20-K24 WeakPolarHBondContact O-CG 3.23Å; A20-K24 PolarHBondContact O-N 3.3Å; A20-L413 HydrophobicContact CB-CD2 4.04Å; A20-L419 HydrophobicContact CB-CD1 3.88Å; A20-L419 HydrophobicContact CB-CD2 3.67Å; A20-L419 HydrophobicContact CB-CG 4.45Å
21G97.6Very high97Very high31 Ų3158.2 Ų58.232%0.3233%0.325SS..Hα-helixtrans-64.3-54.7171.300000111K17 E18 L19 A23 K24 D25K17-G21 PolarHBondContact O-N 2.77Å; E18-G21 WeakPolarHBondContact O-CA 3.44Å; E18-G21 PolarHBondContact O-N 2.92Å; L19-G21 VanDerWaalsContact C-N 3.3Å; L19-G21 PolarHBondContact O-N 3.25Å; G21-A23 VanDerWaalsContact C-N 3.26Å; G21-A23 PolarHBondContact O-N 3.5Å; G21-K24 PolarHBondContact O-N 3.46Å; G21-D25 PolarHBondContact O-N 2.84Å; G21-D25 VanDerWaalsContact O-N 3.17Å
22V98.3Very high97.3Very high37 Ų3752.3 Ų52.322%0.22429%0.294CS..Hα-helixtrans-57.6-39.3178.4178.60000111.8E18 L19 D25 T26 I167 V170E18-V22 PolarHBondContact O-N 3.11Å; L19-V22 PolarHBondContact O-N 3.13Å; V22-D25 PolarHBondContact O-N 3.12Å; V22-T26 VanDerWaalsContact O-CB 3.28Å; V22-T26 WeakPolarHBondContact O-CB 3.38Å; V22-T26 PolarHBondContact O-N 2.87Å; V22-T26 PolarHBondContact O-OG1 2.81Å; V22-I167 HydrophobicContact CB-CD1 4.04Å; V22-I167 HydrophobicContact CG1-CD1 3.8Å; V22-V170 HydrophobicContact CG1-CG2 4.31Å
23A98.4Very high97.5Very high0 Ų050.2 Ų50.20%028%0.283CS..Hα-helixtrans-63.9-44.7-179.400000111.9L19 G21 T26 A27 F51 L53 I167 L413L19-A23 WeakPolarHBondContact O-CB 3.43Å; L19-A23 PolarHBondContact O-N 2.88Å; G21-A23 VanDerWaalsContact C-N 3.26Å; G21-A23 PolarHBondContact O-N 3.5Å; A23-T26 PolarHBondContact O-N 3.17Å; A23-A27 VanDerWaalsContact O-CB 3.27Å; A23-A27 WeakPolarHBondContact O-CB 3.33Å; A23-A27 PolarHBondContact O-N 3.01Å; A23-F51 HydrophobicContact CB-CE2 3.91Å; A23-F51 HydrophobicContact CB-CZ 3.78Å; A23-F51 WeakPolarHBondContact O-CZ 3.49Å; A23-L53 HydrophobicContact CB-CD1 3.75Å; A23-I167 VanDerWaalsContact CA-CD1 3.47Å; A23-I167 HydrophobicContact CB-CD1 3.59Å; A23-I167 HydrophobicContact CB-CG1 3.82Å; A23-L413 HydrophobicContact CB-CD1 3.73Å
24K98.3Very high97.6Very high66 Ų6647 Ų4729%0.28726%0.255SS..Hα-helixtrans-63-46.4178.3-68.7166.6-171.8177.80110.6A20 G21 A27 L28 Y48A20-K24 WeakPolarHBondContact O-CD 3.46Å; A20-K24 WeakPolarHBondContact O-CG 3.23Å; A20-K24 PolarHBondContact O-N 3.3Å; G21-K24 PolarHBondContact O-N 3.46Å; K24-A27 PolarHBondContact O-N 3.28Å; K24-L28 VanDerWaalsContact O-CG 3.29Å; K24-L28 WeakPolarHBondContact O-CG 3.26Å; K24-L28 PolarHBondContact O-N 3Å; K24-Y48 HydrophobicContact CB-CD1 4.19Å; K24-Y48 HydrophobicContact CB-CE1 4.06Å; K24-Y48 HydrophobicContact CD-CE1 3.93Å; K24-Y48 WeakPolarHBondContact CE-OH 3.24Å; K24-Y48 HydrophobicContact CG-CD1 4.15Å; K24-Y48 HydrophobicContact CG-CE1 3.65Å; K24-Y48 HydrophobicContact CG-CE2 4.42Å
25D98.4Very high97.6Very high102 Ų10244.7 Ų44.755%0.54523%0.231SC..Hα-helixtrans-65.4-42.3179.8-67.1-10.7000111.4G21 V22 A27 L28 L29G21-D25 PolarHBondContact O-N 2.84Å; G21-D25 VanDerWaalsContact O-N 3.17Å; V22-D25 PolarHBondContact O-N 3.12Å; D25-A27 PolarHBondContact O-N 3.23Å; D25-L28 PolarHBondContact O-N 3.19Å; D25-L29 VanDerWaalsContact O-CG 3.32Å; D25-L29 WeakPolarHBondContact O-CG 3.44Å; D25-L29 PolarHBondContact O-N 3.42Å
26T98.5Very high97.7Very high11 Ų1142.8 Ų42.87%0.06722%0.221CC..Hα-helixtrans-63.4-43.5176.3-55.10000111.4V22 A23 L28 L29 Q30 V163 H166V22-T26 VanDerWaalsContact O-CB 3.28Å; V22-T26 WeakPolarHBondContact O-CB 3.38Å; V22-T26 PolarHBondContact O-N 2.87Å; V22-T26 PolarHBondContact O-OG1 2.81Å; A23-T26 PolarHBondContact O-N 3.17Å; T26-L28 VanDerWaalsContact C-N 3.29Å; T26-L28 PolarHBondContact O-N 2.9Å; T26-L29 PolarHBondContact O-N 2.95Å; T26-Q30 HydrophobicContact CG2-CG 4.19Å; T26-Q30 WeakPolarHBondContact O-CB 3.41Å; T26-Q30 VanDerWaalsContact O-CG 3.3Å; T26-Q30 WeakPolarHBondContact O-CG 3.28Å; T26-Q30 PolarHBondContact O-N 2.79Å; T26-V163 HydrophobicContact CG2-CB 4.42Å; T26-V163 HydrophobicContact CG2-CG1 4.4Å; T26-V163 HydrophobicContact CG2-CG2 4.28Å; T26-H166 HydrophobicContact CG2-CB 4.04Å; T26-H166 PolarHBondContact OG1-CD2 2.76Å
27A98.5Very high97.4Very high0 Ų049.6 Ų49.60%025%0.25CS..Hα-helixtrans-59.3-40.617600000111.7A23 K24 D25 G31 V32 F51 V163A23-A27 VanDerWaalsContact O-CB 3.27Å; A23-A27 WeakPolarHBondContact O-CB 3.33Å; A23-A27 PolarHBondContact O-N 3.01Å; K24-A27 PolarHBondContact O-N 3.28Å; D25-A27 PolarHBondContact O-N 3.23Å; A27-G31 PolarHBondContact O-N 3.28Å; A27-V32 HydrophobicContact CB-CB 4.11Å; A27-V32 WeakPolarHBondContact O-CB 3.45Å; A27-V32 PolarHBondContact O-N 2.81Å; A27-F51 HydrophobicContact CB-CD1 4.42Å; A27-F51 HydrophobicContact CB-CE1 3.74Å; A27-F51 HydrophobicContact CB-CZ 3.86Å; A27-V163 HydrophobicContact CB-CG1 4.46Å; A27-V163 HydrophobicContact CB-CG2 4.24Å
28L98.3Very high97.3Very high71 Ų7147.5 Ų47.537%0.37224%0.243SC..Hα-helixtrans-65.7-45.1174.9-66170.3000111.7K24 D25 T26 Q30 G31 L33K24-L28 VanDerWaalsContact O-CG 3.29Å; K24-L28 WeakPolarHBondContact O-CG 3.26Å; K24-L28 PolarHBondContact O-N 3Å; D25-L28 PolarHBondContact O-N 3.19Å; T26-L28 VanDerWaalsContact C-N 3.29Å; T26-L28 PolarHBondContact O-N 2.9Å; L28-Q30 VanDerWaalsContact C-N 3.33Å; L28-Q30 PolarHBondContact O-N 3.09Å; L28-G31 PolarHBondContact O-N 2.96Å; L28-G31 VanDerWaalsContact O-N 3.08Å; L28-L33 HydrophobicContact CD2-CD2 3.5Å; L28-L33 VanDerWaalsContact CD2-CD2 3.5Å
29L98.2Very high97.2Very high147 Ų14744 Ų4477%0.7723%0.232SC*.Hα-helixtrans-62.7-36.7178-71.9170.9000112.9D25 T26 G31D25-L29 VanDerWaalsContact O-CG 3.32Å; D25-L29 WeakPolarHBondContact O-CG 3.44Å; D25-L29 PolarHBondContact O-N 3.42Å; T26-L29 PolarHBondContact O-N 2.95Å; L29-G31 PolarHBondContact O-N 3.11Å
30Q97.8Very high97.1Very high70 Ų7045.5 Ų45.533%0.32724%0.241SC..THydrogen-bonded Turntrans-81.91.4176.2-62.3-56.9-35.100113.1T26 L28 V32 E162 V163 Y223T26-Q30 HydrophobicContact CG2-CG 4.19Å; T26-Q30 WeakPolarHBondContact O-CB 3.41Å; T26-Q30 VanDerWaalsContact O-CG 3.3Å; T26-Q30 WeakPolarHBondContact O-CG 3.28Å; T26-Q30 PolarHBondContact O-N 2.79Å; L28-Q30 VanDerWaalsContact C-N 3.33Å; L28-Q30 PolarHBondContact O-N 3.09Å; Q30-V32 VanDerWaalsContact C-N 3.34Å; Q30-V32 HydrophobicContact CB-CG2 4.36Å; Q30-V32 PolarHBondContact O-N 3.18Å; Q30-E162 HydrophobicContact CG-CB 4.11Å; Q30-V163 HydrophobicContact CB-CG2 4.27Å; Q30-V163 HydrophobicContact CG-CG2 4.21Å; Q30-Y223 PolarHBondContact O-OH 3.35Å
31G97.8Very high97Very high12 Ų1248.9 Ų48.912%0.12426%0.259CS..THydrogen-bonded Turntrans70.127.3178.100000114.2A27 L28 L29 L33 Y223A27-G31 PolarHBondContact O-N 3.28Å; L28-G31 PolarHBondContact O-N 2.96Å; L28-G31 VanDerWaalsContact O-N 3.08Å; L29-G31 PolarHBondContact O-N 3.11Å; G31-L33 PolarHBondContact O-N 2.66Å; G31-Y223 VanDerWaalsContact C-OH 3.32Å; G31-Y223 WeakPolarHBondContact CA-OH 3.48Å; G31-Y223 PolarHBondContact O-OH 3.19Å
32V98.3Very high96.9Very high0 Ų049.5 Ų49.50%026%0.258CS..  trans-76.870.3170.1-174.70000108.7A27 Q30 Y48 A49 Q159 T160 V163 L470A27-V32 HydrophobicContact CB-CB 4.11Å; A27-V32 WeakPolarHBondContact O-CB 3.45Å; A27-V32 PolarHBondContact O-N 2.81Å; Q30-V32 VanDerWaalsContact C-N 3.34Å; Q30-V32 HydrophobicContact CB-CG2 4.36Å; Q30-V32 PolarHBondContact O-N 3.18Å; V32-Y48 CarbonylContact O-C 3.58Å; V32-Y48 VanDerWaalsContact O-CA 3.24Å; V32-Y48 WeakPolarHBondContact O-CA 3.28Å; V32-A49 HydrophobicContact CG1-CB 4.04Å; V32-A49 PolarHBondContact O-N 3.36Å; V32-Q159 HydrophobicContact CG2-CB 3.76Å; V32-T160 HydrophobicContact CG1-CG2 4.02Å; V32-T160 HydrophobicContact CG2-CG2 4.13Å; V32-V163 HydrophobicContact CG2-CG2 4.05Å; V32-L470 HydrophobicContact CG1-CD1 4.1Å
33L97.5Very high96.9Very high31 Ų3150.3 Ų50.316%0.16227%0.266CS..EExtended strand (participates in β ladder)trans-111.9150-165.8-60173.2000113.3L28 G31 V46 T47 F219L28-L33 HydrophobicContact CD2-CD2 3.5Å; L28-L33 VanDerWaalsContact CD2-CD2 3.5Å; G31-L33 PolarHBondContact O-N 2.66Å; L33-V46 HydrophobicContact CD1-CG2 4.43Å; L33-V46 HydrophobicContact CD2-CG2 4.19Å; L33-T47 CarbonylContact C-O 3.5Å; L33-T47 WeakPolarHBondContact CA-O 3.42Å; L33-F219 HydrophobicContact CB-CB 4.36Å; L33-F219 HydrophobicContact CB-CD1 4.39Å; L33-F219 HydrophobicContact CB-CD2 3.68Å; L33-F219 HydrophobicContact CB-CE2 4.07Å; L33-F219 HydrophobicContact CB-CG 3.88Å; L33-F219 HydrophobicContact CD1-CE1 4.46Å; L33-F219 WeakPolarHBondContact O-CD2 3.38Å
34M96.5Very high96.8Very high8 Ų858.8 Ų58.84%0.03931%0.305CS..EExtended strand (participates in β ladder)trans-137.3148165.6-92.1-178.269.600110.1V46 T47 A49 R216M34-V46 WeakPolarHBondContact O-CA 3.44Å; M34-T47 PolarHBondContact N-O 2.92Å; M34-T47 PolarHBondContact O-N 3.21Å; M34-T47 VanDerWaalsContact O-O 3.12Å; M34-A49 HydrophobicContact CB-CB 4.41Å; M34-A49 HydrophobicContact CG-CB 3.89Å; M34-A49 HydrophobicContact SD-CB 4.01Å; M34-R216 HydrophobicContact CE-CB 3.9Å
35R96.9Very high96.6Very high25 Ų2560 Ų609%0.09431%0.314CS..EExtended strand (participates in β ladder)trans-69.3149.8166.9-55.8175.9164.1162.4-12.6110.1P40 N41 S42 S43 V46 Q215 R216 I218 F219R35-P40 WeakPolarHBondContact CD-O 3.23Å; R35-N41 VanDerWaalsContact CZ-O 3.27Å; R35-N41 PolarHBondContact NH1-O 3.34Å; R35-N41 PolarHBondContact NH2-O 3.27Å; R35-S42 WeakPolarHBondContact CD-O 3.31Å; R35-S42 WeakPolarHBondContact CG-O 3.46Å; R35-S42 PolarHBondContact NE-O 2.8Å; R35-S43 PolarHBondContact NE-OG 2.83Å; R35-S43 PolarHBondContact NH2-OG 2.88Å; R35-V46 HydrophobicContact CG-CG1 4.4Å; R35-Q215 WeakPolarHBondContact CD-O 3.35Å; R35-R216 PolarHBondContact N-O 3.5Å; R35-R216 PolarHBondContact O-NE 3.13Å; R35-I218 HydrophobicContact CG-CG2 4Å; R35-F219 HydrophobicContact CG-CE2 3.94Å
36T95.2Very high96.5Very high1 Ų157.4 Ų57.41%0.00630%0.302CS..  trans-69.5164.8-176.867.80000111.9E38 S39 P40 L45 T47 R415T36-E38 VanDerWaalsContact C-N 3.28Å; T36-E38 VanDerWaalsContact CB-OE2 3.22Å; T36-E38 WeakPolarHBondContact CB-OE2 3.48Å; T36-E38 PolarHBondContact OG1-OE2 3.33Å; T36-S39 CarbonylContact O-C 3.45Å; T36-S39 PolarHBondContact OG1-N 3.18Å; T36-S39 VanDerWaalsContact OG1-N 3.11Å; T36-P40 VanDerWaalsContact O-CA 3.26Å; T36-P40 WeakPolarHBondContact O-CA 3.37Å; T36-L45 HydrophobicContact CG2-CD2 4.13Å; T36-L45 HydrophobicContact CG2-CG 3.85Å; T36-T47 HydrophobicContact CG2-CG2 4.41Å; T36-R415 VanDerWaalsContact CG2-NH1 3.28Å
37K92.3Very high96.4Very high145 Ų14558 Ų5863%0.6331%0.305SS*.SBendtrans-69.6-32.8174.3-71.4-178.5179-178.80111.1S39 P40K37-S39 VanDerWaalsContact C-N 3.34Å; K37-P40 WeakPolarHBondContact O-CD 3.2Å
38E94.4Very high96.3Very high119 Ų11959 Ų5956%0.55631%0.309SS*.SBendtrans-74.6-25-178.1-51.675.2-128.600112.2T36 R415T36-E38 VanDerWaalsContact C-N 3.28Å; T36-E38 VanDerWaalsContact CB-OE2 3.22Å; T36-E38 WeakPolarHBondContact CB-OE2 3.48Å; T36-E38 PolarHBondContact OG1-OE2 3.33Å; E38-R415 IonicContact OE1-NH1 3.82Å; E38-R415 IonicContact OE2-CZ 3.92Å; E38-R415 IonicContact OE2-NH1 2.64Å; E38-R415 PolarHBondContact OE2-NH1 3.15Å; E38-R415 IonicContact OE2-NH2 3.67Å
39S95.1Very high96.3Very high45 Ų4555.6 Ų55.632%0.31529%0.292SS..SBendtrans-138.262.6-179.8-62.50000111T36 K37 N41 S42T36-S39 CarbonylContact O-C 3.45Å; T36-S39 PolarHBondContact OG1-N 3.18Å; T36-S39 VanDerWaalsContact OG1-N 3.11Å; K37-S39 VanDerWaalsContact C-N 3.34Å; S39-N41 PolarHBondContact O-N 3.07Å; S39-S42 PolarHBondContact O-N 3.19Å; S39-S42 VanDerWaalsContact O-N 3.13Å
40P94.9Very high96.3Very high31 Ų3149.7 Ų49.720%0.20126%0.262CS..THydrogen-bonded Turntrans-69.6-12.2-165.930.1-36.6000114.3R35 T36 K37 V214 Q215 R216R35-P40 WeakPolarHBondContact CD-O 3.23Å; T36-P40 VanDerWaalsContact O-CA 3.26Å; T36-P40 WeakPolarHBondContact O-CA 3.37Å; K37-P40 WeakPolarHBondContact O-CD 3.2Å; P40-V214 HydrophobicContact CB-CG1 3.6Å; P40-V214 HydrophobicContact CG-CG1 4.1Å; P40-Q215 CarbonylContact O-C 3.59Å; P40-Q215 PolarHBondContact O-N 2.8Å; P40-R216 HydrophobicContact CB-CG 3.42Å; P40-R216 VanDerWaalsContact CB-CG 3.42Å; P40-R216 PolarHBondContact O-N 3.08Å
41N96.4Very high96.3Very high75 Ų7546.5 Ų46.540%0.40125%0.247SC..THydrogen-bonded Turntrans-115.10.3-179.6-70.7-28.8000113.9R35 S39 E213 Q215R35-N41 VanDerWaalsContact CZ-O 3.27Å; R35-N41 PolarHBondContact NH1-O 3.34Å; R35-N41 PolarHBondContact NH2-O 3.27Å; S39-N41 PolarHBondContact O-N 3.07Å; N41-E213 VanDerWaalsContact CG-O 3.27Å; N41-E213 PolarHBondContact ND2-O 2.79Å; N41-E213 PolarHBondContact OD1-O 2.86Å; N41-Q215 PolarHBondContact OD1-N 3.11Å
42S96.1Very high96.3Very high43 Ų4345.9 Ų45.930%0.30124%0.241SC..  trans-103.9139.4175.6-175.70000110.8R35 S39 E44R35-S42 WeakPolarHBondContact CD-O 3.31Å; R35-S42 WeakPolarHBondContact CG-O 3.46Å; R35-S42 PolarHBondContact NE-O 2.8Å; S39-S42 PolarHBondContact O-N 3.19Å; S39-S42 VanDerWaalsContact O-N 3.13Å; S42-E44 WeakPolarHBondContact OG-CB 3.46Å; S42-E44 PolarHBondContact OG-N 2.69Å
43S96.7Very high96.3Very high54 Ų5445.9 Ų45.938%0.37824%0.241SC..SBendtrans-98.70.7170.7-66.30000113R35 L45R35-S43 PolarHBondContact NE-OG 2.83Å; R35-S43 PolarHBondContact NH2-OG 2.88Å; S43-L45 PolarHBondContact O-N 3.25Å
44E96.9Very high96.3Very high179 Ų17944.5 Ų44.584%0.83623%0.234SC*.SBendtrans-67.8-26.1175-59.7-54.5126.400111.9S42S42-E44 WeakPolarHBondContact OG-CB 3.46Å; S42-E44 PolarHBondContact OG-N 2.69Å
45L93.6Very high96.4Very high91 Ų9144.3 Ų44.348%0.47623%0.233SC..SBendtrans-130.3118.1174.9-175.265.1000110.1T36 S43T36-L45 HydrophobicContact CG2-CD2 4.13Å; T36-L45 HydrophobicContact CG2-CG 3.85Å; S43-L45 PolarHBondContact O-N 3.25Å
46V96.8Very high96.4Very high47 Ų4743.1 Ų43.129%0.28523%0.229SC..EExtended strand (participates in β ladder)trans-132.8165.4179.8-610000110.5L33 M34 R35 F219L33-V46 HydrophobicContact CD1-CG2 4.43Å; L33-V46 HydrophobicContact CD2-CG2 4.19Å; M34-V46 WeakPolarHBondContact O-CA 3.44Å; R35-V46 HydrophobicContact CG-CG1 4.4Å; V46-F219 HydrophobicContact CB-CE2 4.33Å; V46-F219 HydrophobicContact CG1-CE2 3.53Å; V46-F219 HydrophobicContact CG1-CZ 3.56Å
47T96.5Very high96.3Very high23 Ų2344.6 Ų44.614%0.14124%0.238CC..EExtended strand (participates in β ladder)trans-140.6173.4172.9-168.20000109.7L33 M34 T36L33-T47 CarbonylContact C-O 3.5Å; L33-T47 WeakPolarHBondContact CA-O 3.42Å; M34-T47 PolarHBondContact N-O 2.92Å; M34-T47 PolarHBondContact O-N 3.21Å; M34-T47 VanDerWaalsContact O-O 3.12Å; T36-T47 HydrophobicContact CG2-CG2 4.41Å
48Y97.3Very high96.4Very high21 Ų2138.3 Ų38.38%0.08221%0.212CC..EExtended strand (participates in β ladder)trans-66.9140.2174.255.9-91.6000110.5K24 V32 F51 L413 R414 R415K24-Y48 HydrophobicContact CB-CD1 4.19Å; K24-Y48 HydrophobicContact CB-CE1 4.06Å; K24-Y48 HydrophobicContact CD-CE1 3.93Å; K24-Y48 WeakPolarHBondContact CE-OH 3.24Å; K24-Y48 HydrophobicContact CG-CD1 4.15Å; K24-Y48 HydrophobicContact CG-CE1 3.65Å; K24-Y48 HydrophobicContact CG-CE2 4.42Å; V32-Y48 CarbonylContact O-C 3.58Å; V32-Y48 VanDerWaalsContact O-CA 3.24Å; V32-Y48 WeakPolarHBondContact O-CA 3.28Å; Y48-F51 HydrophobicContact CD2-CD1 4.11Å; Y48-F51 AromaticContact CD2-CE1 3.83Å; Y48-F51 HydrophobicContact CD2-CE1 3.83Å; Y48-F51 HydrophobicContact CE2-CE1 4.38Å; Y48-F51 HydrophobicContact CG-CE1 4.34Å; Y48-L413 HydrophobicContact CE2-CB 4.45Å; Y48-R414 PolarHBondContact OH-O 3.44Å; Y48-R414 VanDerWaalsContact OH-O 3.06Å; Y48-R415 PolarHBondContact OH-N 3.12Å
49A97.5Very high96.3Very high0 Ų034.6 Ų34.60%020%0.198CC..PPolyproline II helixtrans-64.7141.6167.300000108.9V32 M34 F51 L156 L470V32-A49 HydrophobicContact CG1-CB 4.04Å; V32-A49 PolarHBondContact O-N 3.36Å; M34-A49 HydrophobicContact CB-CB 4.41Å; M34-A49 HydrophobicContact CG-CB 3.89Å; M34-A49 HydrophobicContact SD-CB 4.01Å; A49-F51 WeakPolarHBondContact O-CD1 3.37Å; A49-F51 PolarHBondContact O-N 3.03Å; A49-L156 HydrophobicContact CB-CD1 3.8Å; A49-L470 HydrophobicContact CB-CD1 4.05Å
50P97.6Very high96.3Very high23 Ų2338.3 Ų38.315%0.14921%0.209CC..PPolyproline II helixtrans-56.8135.6179.9-28.537000113.1L413 R414 V469 L470P50-L413 VanDerWaalsContact CA-O 3.3Å; P50-L413 WeakPolarHBondContact CA-O 3.42Å; P50-R414 HydrophobicContact CB-CG 3.94Å; P50-R414 HydrophobicContact CG-CG 4.27Å; P50-V469 HydrophobicContact CB-CB 4.01Å; P50-V469 HydrophobicContact CB-CG1 3.59Å; P50-L470 PolarHBondContact O-N 3.41Å
51F98.4Very high96.2Very high3 Ų341 Ų411%0.01323%0.229CC..EExtended strand (participates in β ladder)trans-147.5163.8179.568.9-72.3000112.3A23 A27 Y48 A49 V163 L413 L470A23-F51 HydrophobicContact CB-CE2 3.91Å; A23-F51 HydrophobicContact CB-CZ 3.78Å; A23-F51 WeakPolarHBondContact O-CZ 3.49Å; A27-F51 HydrophobicContact CB-CD1 4.42Å; A27-F51 HydrophobicContact CB-CE1 3.74Å; A27-F51 HydrophobicContact CB-CZ 3.86Å; Y48-F51 HydrophobicContact CD2-CD1 4.11Å; Y48-F51 AromaticContact CD2-CE1 3.83Å; Y48-F51 HydrophobicContact CD2-CE1 3.83Å; Y48-F51 HydrophobicContact CE2-CE1 4.38Å; Y48-F51 HydrophobicContact CG-CE1 4.34Å; A49-F51 WeakPolarHBondContact O-CD1 3.37Å; A49-F51 PolarHBondContact O-N 3.03Å; F51-V163 HydrophobicContact CD2-CG1 4.21Å; F51-V163 HydrophobicContact CE2-CG1 3.64Å; F51-V163 HydrophobicContact CZ-CG1 4.26Å; F51-L413 HydrophobicContact CD1-CB 4.3Å; F51-L413 HydrophobicContact CD2-CD1 4.46Å; F51-L413 HydrophobicContact CE1-CB 4.11Å; F51-L413 HydrophobicContact CE1-CD1 3.99Å; F51-L413 HydrophobicContact CE2-CD1 3.71Å; F51-L413 HydrophobicContact CZ-CB 4.39Å; F51-L413 HydrophobicContact CZ-CD1 3.44Å; F51-L413 VanDerWaalsContact CZ-CD1 3.44Å; F51-L413 PolarHBondContact N-O 2.95Å; F51-L413 WeakPolarHBondContact O-CA 3.43Å; F51-L413 WeakPolarHBondContact O-CB 3.32Å; F51-L413 PolarHBondContact O-N 3.42Å; F51-L470 CarbonylContact C-O 3.49Å; F51-L470 WeakPolarHBondContact CA-O 3.5Å; F51-L470 HydrophobicContact CB-CB 4.13Å; F51-L470 WeakPolarHBondContact CB-O 3.31Å
52T98.4Very high96.1Very high0 Ų038.1 Ų38.10%021%0.213CC..EExtended strand (participates in β ladder)trans-76.6146.8171.450.40000111.2F54 H164 Y411 L412 T453 V469 L470 D471T52-F54 VanDerWaalsContact CB-O 3.3Å; T52-F54 WeakPolarHBondContact CB-O 3.3Å; T52-F54 PolarHBondContact OG1-O 2.97Å; T52-F54 VanDerWaalsContact OG1-O 3.04Å; T52-H164 PolarHBondContact O-NE2 3.16Å; T52-H164 PolarHBondContact OG1-CE1 2.84Å; T52-H164 PolarHBondContact OG1-NE2 3.43Å; T52-Y411 CarbonylContact C-O 3.53Å; T52-Y411 WeakPolarHBondContact CA-O 3.38Å; T52-L412 HydrophobicContact CG2-CD2 3.96Å; T52-T453 HydrophobicContact CG2-CG2 3.91Å; T52-V469 HydrophobicContact CG2-CG2 3.55Å; T52-L470 PolarHBondContact N-O 3.45Å; T52-D471 HydrophobicContact CG2-CB 4.01Å; T52-D471 WeakPolarHBondContact CG2-OD2 3.34Å; T52-D471 PolarHBondContact OG1-OD1 3.26Å
53L98.2Very high96.1Very high0 Ų036.4 Ų36.40%020%0.2CC..SBendtrans-65.1-43.6174.2179.759.9000111.5I16 L19 A23 I167 Y411 L413I16-L53 HydrophobicContact CD1-CD2 3.95Å; I16-L53 HydrophobicContact CG2-CD2 4.21Å; L19-L53 HydrophobicContact CB-CD1 4.14Å; L19-L53 HydrophobicContact CB-CD2 4.45Å; A23-L53 HydrophobicContact CB-CD1 3.75Å; L53-I167 HydrophobicContact CD1-CG2 4.1Å; L53-Y411 HydrophobicContact CD2-CD2 4.02Å; L53-Y411 HydrophobicContact CD2-CG 4.24Å; L53-Y411 PolarHBondContact N-O 2.82Å; L53-L413 HydrophobicContact CB-CD1 4.28Å; L53-L413 HydrophobicContact CB-CG 4.34Å; L53-L413 HydrophobicContact CD1-CD1 4.03Å
54F97.8Very high96.1Very high2 Ų238 Ų381%0.00921%0.205CC..SBendtrans-115.3151.3178.3-62.5-72.2000111.5I5 V9 M10 I16 L19 T52 I167 L168 A171 N410I5-F54 HydrophobicContact CD1-CD1 4.19Å; I5-F54 HydrophobicContact CG1-CB 3.91Å; I5-F54 HydrophobicContact CG1-CD1 4.14Å; I5-F54 HydrophobicContact CG1-CG 3.99Å; I5-F54 HydrophobicContact CG2-CD1 4.42Å; I5-F54 HydrophobicContact CG2-CD2 4.48Å; I5-F54 HydrophobicContact CG2-CE1 4.41Å; I5-F54 HydrophobicContact CG2-CE2 4.46Å; I5-F54 HydrophobicContact CG2-CG 4.45Å; I5-F54 HydrophobicContact CG2-CZ 4.43Å; V9-F54 HydrophobicContact CG1-CZ 3.94Å; M10-F54 HydrophobicContact CE-CD2 4.3Å; M10-F54 HydrophobicContact SD-CD2 3.45Å; M10-F54 WeakPolarHBondContact SD-CD2 3.22Å; M10-F54 HydrophobicContact SD-CE2 3.48Å; M10-F54 WeakPolarHBondContact SD-CE2 3.41Å; M10-F54 HydrophobicContact SD-CG 4.48Å; I16-F54 HydrophobicContact CD1-CE2 3.71Å; I16-F54 HydrophobicContact CD1-CZ 4Å; L19-F54 HydrophobicContact CD1-CE1 4.11Å; L19-F54 HydrophobicContact CD1-CZ 3.7Å; T52-F54 VanDerWaalsContact CB-O 3.3Å; T52-F54 WeakPolarHBondContact CB-O 3.3Å; T52-F54 PolarHBondContact OG1-O 2.97Å; T52-F54 VanDerWaalsContact OG1-O 3.04Å; F54-I167 HydrophobicContact CD1-CG2 4.29Å; F54-I167 HydrophobicContact CE1-CG2 4.08Å; F54-L168 HydrophobicContact CD1-CD2 4.27Å; F54-A171 HydrophobicContact CE1-CB 4.35Å; F54-N410 PolarHBondContact N-OD1 3.44Å; F54-N410 PolarHBondContact O-ND2 3.05Å
55P97.4Very high96.2Very high3 Ų332.1 Ų32.12%0.01918%0.177CC..PPolyproline II helixtrans-68.3136.8172.625.9-29.5000110.9H164 L168 I180 D471 N472 L474P55-H164 HydrophobicContact CB-CB 4.32Å; P55-H164 WeakPolarHBondContact CB-ND1 3.47Å; P55-H164 HydrophobicContact CG-CB 4.15Å; P55-L168 HydrophobicContact CG-CD1 3.75Å; P55-L168 HydrophobicContact CG-CG 4.39Å; P55-I180 HydrophobicContact CB-CD1 3.56Å; P55-I180 HydrophobicContact CG-CD1 3.42Å; P55-I180 VanDerWaalsContact CG-CD1 3.42Å; P55-I180 HydrophobicContact CG-CG1 4.37Å; P55-D471 WeakPolarHBondContact CA-OD1 3.3Å; P55-N472 CarbonylContact C-O 3.5Å; P55-N472 WeakPolarHBondContact CA-O 3.38Å; P55-N472 HydrophobicContact CB-CB 4.38Å; P55-N472 VanDerWaalsContact CB-O 3.25Å; P55-N472 WeakPolarHBondContact CB-O 3.48Å; P55-L474 HydrophobicContact CB-CB 4.05Å; P55-L474 HydrophobicContact CG-CB 4.19Å
56S96.5Very high96.4Very high0 Ų027.8 Ų27.80%015%0.154CC..EExtended strand (participates in β ladder)trans-80.8139.6-178.7-70.70000112.6V58 I408 N410 D471 N472 L474S56-V58 PolarHBondContact O-N 3.29Å; S56-I408 WeakPolarHBondContact OG-CD1 3.28Å; S56-N410 PolarHBondContact OG-ND2 3.08Å; S56-D471 WeakPolarHBondContact CB-OD2 3.45Å; S56-D471 PolarHBondContact N-OD1 2.8Å; S56-D471 PolarHBondContact OG-OD2 3.4Å; S56-N472 PolarHBondContact N-O 3.06Å; S56-N472 VanDerWaalsContact N-O 3.1Å; S56-L474 PolarHBondContact O-N 2.93Å
57P94.3Very high96.5Very high33 Ų3327.7 Ų27.721%0.21415%0.152CC..EExtended strand (participates in β ladder)trans-66.5132.5179.128.6-36.6000111.6R4 I408 L474 V476R4-P57 HydrophobicContact CG-CB 4.4Å; R4-P57 HydrophobicContact CG-CG 4.19Å; P57-I408 HydrophobicContact CG-CD1 4.39Å; P57-I408 HydrophobicContact CG-CG2 4.12Å; P57-L474 WeakPolarHBondContact CA-O 3.41Å; P57-V476 HydrophobicContact CB-CG1 3.89Å; P57-V476 HydrophobicContact CB-CG2 4.08Å
58V93.7Very high96.6Very high13 Ų1329.4 Ų29.48%0.07917%0.165CC..EExtended strand (participates in β ladder)trans-132.3126.8175-179.70000109.4S56 K60 F63 L451 P473 L474 L475 V476S56-V58 PolarHBondContact O-N 3.29Å; V58-K60 PolarHBondContact O-N 3.15Å; V58-F63 HydrophobicContact CG1-CB 4.1Å; V58-L451 HydrophobicContact CG2-CD1 4.33Å; V58-L451 HydrophobicContact CG2-CD2 4.09Å; V58-P473 HydrophobicContact CB-CB 3.94Å; V58-P473 HydrophobicContact CG2-CB 3.7Å; V58-L474 PolarHBondContact N-O 2.96Å; V58-L475 WeakPolarHBondContact O-CA 3.43Å; V58-V476 PolarHBondContact O-N 3.1Å; V58-V476 VanDerWaalsContact O-N 3.08Å
59P92.8Very high96.6Very high41 Ų4128.4 Ų28.427%0.26616%0.161SC..  trans-58.5129.6177.2-24.434.2000111.6S61 V62 F63 L131P59-S61 VanDerWaalsContact C-N 3.28Å; P59-S61 PolarHBondContact O-N 2.79Å; P59-V62 HydrophobicContact CB-CB 4.17Å; P59-V62 HydrophobicContact CB-CG2 3.92Å; P59-V62 HydrophobicContact CG-CG2 4.29Å; P59-V62 WeakPolarHBondContact O-CB 3.38Å; P59-V62 PolarHBondContact O-N 3.39Å; P59-V62 VanDerWaalsContact O-N 3.16Å; P59-F63 PolarHBondContact O-N 2.83Å; P59-L131 HydrophobicContact CG-CD2 3.86Å
60K94.3Very high96.7Very high123 Ų12328.4 Ų28.454%0.53516%0.161SC..Hα-helixtrans-56-40.4-176.3-178173-178.7179.20113.4V58 F63 L64 L475 V476V58-K60 PolarHBondContact O-N 3.15Å; K60-F63 PolarHBondContact O-N 3.16Å; K60-L64 HydrophobicContact CG-CD1 4Å; K60-L64 HydrophobicContact CG-CG 4.4Å; K60-L64 VanDerWaalsContact O-CG 3.3Å; K60-L64 WeakPolarHBondContact O-CG 3.43Å; K60-L64 PolarHBondContact O-N 3.49Å; K60-L475 HydrophobicContact CG-CD1 4.3Å; K60-V476 PolarHBondContact N-O 3.47Å
61S93.9Very high96.7Very high88 Ų8829.3 Ų29.362%0.61517%0.166SC*.Hα-helixtrans-62.3-44.2179.251.90000112.4P59 L64 Q65P59-S61 VanDerWaalsContact C-N 3.28Å; P59-S61 PolarHBondContact O-N 2.79Å; S61-L64 PolarHBondContact O-N 2.98Å; S61-Q65 WeakPolarHBondContact O-CB 3.45Å; S61-Q65 PolarHBondContact O-N 3.11Å
62V93.1Very high96.8Very high13 Ų1331.2 Ų31.28%0.07918%0.175CC..Hα-helixtrans-63.7-44.3178.5172.50000110.6P59 Q65 A66 L131 L141P59-V62 HydrophobicContact CB-CB 4.17Å; P59-V62 HydrophobicContact CB-CG2 3.92Å; P59-V62 HydrophobicContact CG-CG2 4.29Å; P59-V62 WeakPolarHBondContact O-CB 3.38Å; P59-V62 PolarHBondContact O-N 3.39Å; P59-V62 VanDerWaalsContact O-N 3.16Å; V62-Q65 PolarHBondContact O-N 3.5Å; V62-A66 PolarHBondContact O-N 3Å; V62-A66 VanDerWaalsContact O-N 3.08Å; V62-L131 HydrophobicContact CB-CD1 4.46Å; V62-L131 HydrophobicContact CG1-CD1 3.96Å; V62-L131 HydrophobicContact CG2-CD1 3.62Å; V62-L141 HydrophobicContact CG1-CB 4.2Å; V62-L141 HydrophobicContact CG1-CD1 3.52Å; V62-L141 HydrophobicContact CG1-CG 4.41Å
63F96.7Very high96.8Very high7 Ų731.4 Ų31.43%0.03118%0.176CC..Hα-helixtrans-61-48.7176.3-178.4-101.8000111.6V58 P59 K60 Q65 A66 L67 L181 L428 H449 P473 L475V58-F63 HydrophobicContact CG1-CB 4.1Å; P59-F63 PolarHBondContact O-N 2.83Å; K60-F63 PolarHBondContact O-N 3.16Å; F63-Q65 PolarHBondContact O-N 3.36Å; F63-A66 PolarHBondContact O-N 3.39Å; F63-L67 HydrophobicContact CD1-CD1 4.07Å; F63-L67 HydrophobicContact CD1-CG 4.41Å; F63-L67 HydrophobicContact CE1-CD1 3.47Å; F63-L67 VanDerWaalsContact CE1-CD1 3.47Å; F63-L67 HydrophobicContact CE1-CG 4.09Å; F63-L67 HydrophobicContact CZ-CD1 3.87Å; F63-L67 HydrophobicContact CZ-CD2 4.23Å; F63-L67 HydrophobicContact CZ-CG 4.25Å; F63-L67 WeakPolarHBondContact O-CG 3.38Å; F63-L67 PolarHBondContact O-N 2.67Å; F63-L67 VanDerWaalsContact O-N 3.1Å; F63-L181 HydrophobicContact CD1-CD1 4.27Å; F63-L181 HydrophobicContact CE1-CD1 3.39Å; F63-L181 HydrophobicContact CE2-CD1 4.32Å; F63-L181 HydrophobicContact CZ-CD1 3.43Å; F63-L181 VanDerWaalsContact CZ-CD1 3.43Å; F63-L428 HydrophobicContact CD2-CD1 4.05Å; F63-L428 HydrophobicContact CD2-CD2 3.85Å; F63-L428 HydrophobicContact CE2-CD1 4.05Å; F63-H449 HydrophobicContact CE2-CB 4.12Å; F63-H449 AromaticContact CE2-CD2 3.96Å; F63-H449 AromaticContact CE2-CG 3.76Å; F63-H449 AromaticContact CE2-ND1 3.98Å; F63-H449 HydrophobicContact CZ-CB 4.47Å; F63-H449 AromaticContact CZ-CE1 3.87Å; F63-H449 AromaticContact CZ-CG 3.89Å; F63-H449 AromaticContact CZ-ND1 3.61Å; F63-P473 HydrophobicContact CD2-CB 4.42Å; F63-P473 HydrophobicContact CD2-CG 4.31Å; F63-P473 HydrophobicContact CE2-CB 4.47Å; F63-P473 HydrophobicContact CE2-CG 3.87Å; F63-P473 HydrophobicContact CZ-CG 4.47Å; F63-L475 HydrophobicContact CB-CD2 3.86Å; F63-L475 HydrophobicContact CD1-CD1 4.29Å; F63-L475 HydrophobicContact CD1-CD2 3.9Å; F63-L475 HydrophobicContact CD2-CD2 4.31Å; F63-L475 HydrophobicContact CG-CD2 3.76Å
64L97.6Very high96.8Very high89 Ų8931.4 Ų31.447%0.46618%0.176SC..Hα-helixtrans-65.2-36.8179-68.3175.5000112.7K60 S61 L67 S68K60-L64 HydrophobicContact CG-CD1 4Å; K60-L64 HydrophobicContact CG-CG 4.4Å; K60-L64 VanDerWaalsContact O-CG 3.3Å; K60-L64 WeakPolarHBondContact O-CG 3.43Å; K60-L64 PolarHBondContact O-N 3.49Å; S61-L64 PolarHBondContact O-N 2.98Å; L64-L67 PolarHBondContact O-N 2.98Å; L64-S68 WeakPolarHBondContact O-CB 3.25Å; L64-S68 PolarHBondContact O-N 3.46Å; L64-S68 PolarHBondContact O-OG 3.45Å
65Q97.9Very high96.9Very high55 Ų5532.6 Ų32.626%0.25718%0.183SC..Hα-helixtrans-58.2-49.1173.5-175.8-176.515.500110.5S61 V62 F63 L67 S68 V69 L141S61-Q65 WeakPolarHBondContact O-CB 3.45Å; S61-Q65 PolarHBondContact O-N 3.11Å; V62-Q65 PolarHBondContact O-N 3.5Å; F63-Q65 PolarHBondContact O-N 3.36Å; Q65-L67 VanDerWaalsContact C-N 3.33Å; Q65-L67 PolarHBondContact O-N 2.78Å; Q65-S68 PolarHBondContact O-N 2.66Å; Q65-S68 PolarHBondContact O-OG 3.21Å; Q65-V69 PolarHBondContact O-N 3.41Å; Q65-L141 HydrophobicContact CB-CD2 4.26Å; Q65-L141 HydrophobicContact CG-CD2 4.05Å
66A98.3Very high96.9Very high0 Ų032.6 Ų32.60%018%0.183CC..Hα-helixtrans-59.6-42.1178.900000112.3V62 F63 V69 Y129 L141 L428 V430V62-A66 PolarHBondContact O-N 3Å; V62-A66 VanDerWaalsContact O-N 3.08Å; F63-A66 PolarHBondContact O-N 3.39Å; A66-V69 WeakPolarHBondContact O-CG1 3.46Å; A66-Y129 HydrophobicContact CB-CD2 4.07Å; A66-Y129 HydrophobicContact CB-CE2 4.08Å; A66-L141 HydrophobicContact CB-CD1 4.35Å; A66-L141 HydrophobicContact CB-CD2 3.68Å; A66-L428 HydrophobicContact CB-CD2 3.74Å; A66-V430 HydrophobicContact CB-CG2 3.71Å
67L98.4Very high97.1Very high45 Ų4532.8 Ų32.824%0.23618%0.184CC..Hα-helixtrans-64.8-43.8176-62.1-170000112.3F63 L64 Q65 V69 Q70 V430F63-L67 HydrophobicContact CD1-CD1 4.07Å; F63-L67 HydrophobicContact CD1-CG 4.41Å; F63-L67 HydrophobicContact CE1-CD1 3.47Å; F63-L67 VanDerWaalsContact CE1-CD1 3.47Å; F63-L67 HydrophobicContact CE1-CG 4.09Å; F63-L67 HydrophobicContact CZ-CD1 3.87Å; F63-L67 HydrophobicContact CZ-CD2 4.23Å; F63-L67 HydrophobicContact CZ-CG 4.25Å; F63-L67 WeakPolarHBondContact O-CG 3.38Å; F63-L67 PolarHBondContact O-N 2.67Å; F63-L67 VanDerWaalsContact O-N 3.1Å; L64-L67 PolarHBondContact O-N 2.98Å; Q65-L67 VanDerWaalsContact C-N 3.33Å; Q65-L67 PolarHBondContact O-N 2.78Å; L67-V69 VanDerWaalsContact C-N 3.32Å; L67-V69 PolarHBondContact O-N 2.9Å; L67-Q70 WeakPolarHBondContact O-CB 3.18Å; L67-Q70 PolarHBondContact O-N 3.03Å; L67-V430 HydrophobicContact CD2-CB 4.49Å; L67-V430 HydrophobicContact CD2-CG1 3.68Å; L67-V430 HydrophobicContact CD2-CG2 3.97Å
68S98.1Very high97.3Very high58 Ų5831.5 Ų31.541%0.40618%0.175SC..Hα-helixtrans-65.7-32.5-175.667.30000113.7L64 Q65 Q70L64-S68 WeakPolarHBondContact O-CB 3.25Å; L64-S68 PolarHBondContact O-N 3.46Å; L64-S68 PolarHBondContact O-OG 3.45Å; Q65-S68 PolarHBondContact O-N 2.66Å; Q65-S68 PolarHBondContact O-OG 3.21Å; S68-Q70 VanDerWaalsContact C-N 3.35Å
69V98.6Very high97.5Very high1 Ų133.7 Ų33.71%0.00618%0.184CC..Hα-helixtrans-83.5-13.6-176.273.80000112.7Q65 A66 L67 T71 H72 F73 Y129 Q332 M333 T336Q65-V69 PolarHBondContact O-N 3.41Å; A66-V69 WeakPolarHBondContact O-CG1 3.46Å; L67-V69 VanDerWaalsContact C-N 3.32Å; L67-V69 PolarHBondContact O-N 2.9Å; V69-T71 VanDerWaalsContact C-N 3.35Å; V69-T71 PolarHBondContact O-N 2.81Å; V69-H72 HydrophobicContact CG2-CB 4.44Å; V69-H72 WeakPolarHBondContact O-CB 3.35Å; V69-H72 PolarHBondContact O-N 3.49Å; V69-F73 HydrophobicContact CB-CD2 4.42Å; V69-F73 HydrophobicContact CB-CE2 4.36Å; V69-F73 HydrophobicContact CG1-CD2 3.96Å; V69-F73 HydrophobicContact CG1-CE2 3.82Å; V69-F73 HydrophobicContact CG2-CD2 3.89Å; V69-F73 HydrophobicContact CG2-CE2 3.65Å; V69-F73 WeakPolarHBondContact O-CD2 3.1Å; V69-F73 PolarHBondContact O-N 3.19Å; V69-Y129 VanDerWaalsContact CG1-OH 3.28Å; V69-Y129 WeakPolarHBondContact CG1-OH 3.49Å; V69-Q332 HydrophobicContact CG2-CB 4.34Å; V69-M333 HydrophobicContact CG2-CB 4.38Å; V69-M333 HydrophobicContact CG2-CG 3.65Å; V69-T336 HydrophobicContact CG1-CG2 4.38Å
70Q98.9Very high97.8Very high0 Ų031.8 Ų31.80%017%0.172CC..Hα-helixtrans-59.3-40.9-173.5-176.55950.900113.3L67 S68 H72 F73 N74 N125 V430 C446L67-Q70 WeakPolarHBondContact O-CB 3.18Å; L67-Q70 PolarHBondContact O-N 3.03Å; S68-Q70 VanDerWaalsContact C-N 3.35Å; Q70-H72 VanDerWaalsContact C-N 3.28Å; Q70-H72 PolarHBondContact O-N 2.77Å; Q70-F73 PolarHBondContact O-N 2.64Å; Q70-N74 PolarHBondContact NE2-OD1 3.13Å; Q70-N74 VanDerWaalsContact NE2-OD1 3.11Å; Q70-N74 VanDerWaalsContact O-CG 3.3Å; Q70-N74 PolarHBondContact O-N 3.44Å; Q70-N74 PolarHBondContact O-OD1 3.37Å; Q70-N125 PolarHBondContact NE2-OD1 3.41Å; Q70-V430 HydrophobicContact CB-CG1 3.79Å; Q70-V430 HydrophobicContact CG-CG1 3.77Å; Q70-V430 PolarHBondContact OE1-O 3.1Å; Q70-C446 HydrophobicContact CB-CB 4.04Å; Q70-C446 HydrophobicContact CG-CB 4.13Å
71T98.7Very high97.9Very high42 Ų4226 Ų2626%0.25815%0.146SC..Hα-helixtrans-70.7-26179.150.50000112.6V69 T75 N444V69-T71 VanDerWaalsContact C-N 3.35Å; V69-T71 PolarHBondContact O-N 2.81Å; T71-T75 PolarHBondContact O-N 2.8Å; T71-T75 PolarHBondContact O-OG1 3.48Å; T71-N444 WeakPolarHBondContact CA-OD1 3.31Å; T71-N444 PolarHBondContact O-ND2 2.83Å
72H98.8Very high98Very high42 Ų4225.5 Ų25.519%0.19413%0.134CC..Hα-helixtrans-69.7-43.9170.5-59.1-47.1000110.8V69 Q70 N74 T75 L76 Q332 M333V69-H72 HydrophobicContact CG2-CB 4.44Å; V69-H72 WeakPolarHBondContact O-CB 3.35Å; V69-H72 PolarHBondContact O-N 3.49Å; Q70-H72 VanDerWaalsContact C-N 3.28Å; Q70-H72 PolarHBondContact O-N 2.77Å; H72-N74 VanDerWaalsContact C-N 3.35Å; H72-N74 PolarHBondContact O-N 3.45Å; H72-T75 PolarHBondContact O-N 3.4Å; H72-L76 WeakPolarHBondContact O-CB 3.26Å; H72-L76 PolarHBondContact O-N 2.88Å; H72-Q332 PolarHBondContact CD2-OE1 3.07Å; H72-Q332 PolarHBondContact NE2-OE1 3.36Å; H72-Q332 VanDerWaalsContact NE2-OE1 3.08Å; H72-M333 HydrophobicContact CB-CE 4.47Å; H72-M333 HydrophobicContact CB-CG 3.99Å; H72-M333 HydrophobicContact CB-SD 3.86Å
73F98.9Very high98.2Very high4 Ų426.6 Ų26.62%0.01814%0.14CC..Hα-helixtrans-61.6-40.1173.8-83.1-66.1000112.8V69 Q70 T75 L76 V77 Y129 I146 M333 F337V69-F73 HydrophobicContact CB-CD2 4.42Å; V69-F73 HydrophobicContact CB-CE2 4.36Å; V69-F73 HydrophobicContact CG1-CD2 3.96Å; V69-F73 HydrophobicContact CG1-CE2 3.82Å; V69-F73 HydrophobicContact CG2-CD2 3.89Å; V69-F73 HydrophobicContact CG2-CE2 3.65Å; V69-F73 WeakPolarHBondContact O-CD2 3.1Å; V69-F73 PolarHBondContact O-N 3.19Å; Q70-F73 PolarHBondContact O-N 2.64Å; F73-T75 VanDerWaalsContact C-N 3.33Å; F73-T75 PolarHBondContact O-N 2.88Å; F73-L76 HydrophobicContact CD1-CD2 4.22Å; F73-L76 HydrophobicContact CE1-CD2 4.36Å; F73-L76 PolarHBondContact O-N 2.98Å; F73-V77 WeakPolarHBondContact O-CG2 3.33Å; F73-V77 PolarHBondContact O-N 2.84Å; F73-Y129 WeakPolarHBondContact CD2-OH 3.34Å; F73-Y129 HydrophobicContact CE2-CE1 4.47Å; F73-Y129 VanDerWaalsContact CE2-OH 3.23Å; F73-Y129 WeakPolarHBondContact CE2-OH 3.42Å; F73-I146 HydrophobicContact CB-CD1 3.86Å; F73-I146 HydrophobicContact CD1-CD1 4.07Å; F73-I146 HydrophobicContact CG-CD1 4.19Å; F73-M333 HydrophobicContact CD1-SD 4.48Å; F73-M333 HydrophobicContact CE1-CG 4.47Å; F73-M333 HydrophobicContact CE2-CG 4.23Å; F73-M333 HydrophobicContact CZ-CB 4.28Å; F73-M333 HydrophobicContact CZ-CG 4.18Å; F73-F337 HydrophobicContact CE1-CE1 4.09Å; F73-F337 HydrophobicContact CZ-CE1 4.02Å
74N98.9Very high98.2Very high0 Ų029.4 Ų29.40%015%0.154CC..Hα-helixtrans-56.5-48.2173.4-69.8-11000111.6Q70 H72 D78 N125 G432 Y434 N444 E445Q70-N74 PolarHBondContact NE2-OD1 3.13Å; Q70-N74 VanDerWaalsContact NE2-OD1 3.11Å; Q70-N74 VanDerWaalsContact O-CG 3.3Å; Q70-N74 PolarHBondContact O-N 3.44Å; Q70-N74 PolarHBondContact O-OD1 3.37Å; H72-N74 VanDerWaalsContact C-N 3.35Å; H72-N74 PolarHBondContact O-N 3.45Å; N74-D78 PolarHBondContact O-N 3.28Å; N74-D78 VanDerWaalsContact O-N 3.08Å; N74-N125 PolarHBondContact OD1-ND2 3.5Å; N74-N125 PolarHBondContact OD1-OD1 2.9Å; N74-G432 WeakPolarHBondContact OD1-CA 3.34Å; N74-Y434 HydrophobicContact CB-CD1 3.69Å; N74-Y434 HydrophobicContact CB-CE1 4.47Å; N74-Y434 HydrophobicContact CB-CG 4.21Å; N74-N444 WeakPolarHBondContact CB-OD1 3.15Å; N74-N444 PolarHBondContact ND2-OD1 2.79Å; N74-E445 PolarHBondContact ND2-O 3.36Å
75T98.8Very high98.2Very high28 Ų2830.1 Ų30.117%0.17216%0.159CC..Hα-helixtrans-66.6-38.2178.1-62.40000112T71 H72 F73 D78 K79 F323 N444T71-T75 PolarHBondContact O-N 2.8Å; T71-T75 PolarHBondContact O-OG1 3.48Å; H72-T75 PolarHBondContact O-N 3.4Å; F73-T75 VanDerWaalsContact C-N 3.33Å; F73-T75 PolarHBondContact O-N 2.88Å; T75-D78 PolarHBondContact O-N 3.22Å; T75-K79 HydrophobicContact CG2-CD 4.01Å; T75-K79 HydrophobicContact CG2-CG 4.38Å; T75-K79 WeakPolarHBondContact O-CB 3.2Å; T75-K79 VanDerWaalsContact O-CG 3.3Å; T75-K79 WeakPolarHBondContact O-CG 3.11Å; T75-K79 PolarHBondContact O-N 3.03Å; T75-F323 HydrophobicContact CG2-CE1 3.88Å; T75-F323 HydrophobicContact CG2-CZ 3.89Å; T75-N444 PolarHBondContact OG1-ND2 2.76Å; T75-N444 VanDerWaalsContact OG1-ND2 3.11Å
76L98.8Very high98.2Very high2 Ų227.7 Ų27.71%0.0115%0.147CC..Hα-helixtrans-62.2-49.9177.4176.959.8000111H72 F73 D78 K79 I80 L313 L319 F322 F323 M333H72-L76 WeakPolarHBondContact O-CB 3.26Å; H72-L76 PolarHBondContact O-N 2.88Å; F73-L76 HydrophobicContact CD1-CD2 4.22Å; F73-L76 HydrophobicContact CE1-CD2 4.36Å; F73-L76 PolarHBondContact O-N 2.98Å; L76-D78 VanDerWaalsContact C-N 3.33Å; L76-D78 PolarHBondContact O-N 3.32Å; L76-K79 PolarHBondContact O-N 3.02Å; L76-I80 HydrophobicContact CD1-CD1 3.78Å; L76-I80 HydrophobicContact CD1-CG1 4.1Å; L76-I80 HydrophobicContact CG-CD1 3.74Å; L76-I80 HydrophobicContact CG-CG1 4.48Å; L76-I80 WeakPolarHBondContact O-CD1 3.29Å; L76-I80 VanDerWaalsContact O-CG1 3.25Å; L76-I80 WeakPolarHBondContact O-CG1 3.4Å; L76-I80 PolarHBondContact O-N 2.95Å; L76-L313 HydrophobicContact CD1-CD2 4.01Å; L76-L313 HydrophobicContact CD2-CD1 4.14Å; L76-L313 HydrophobicContact CD2-CD2 4.47Å; L76-L319 HydrophobicContact CD1-CD2 4.07Å; L76-L319 HydrophobicContact CD2-CD2 3.69Å; L76-F322 HydrophobicContact CD1-CB 3.94Å; L76-F322 HydrophobicContact CD1-CD2 3.76Å; L76-F322 HydrophobicContact CD1-CG 3.93Å; L76-F323 HydrophobicContact CB-CE2 3.78Å; L76-F323 HydrophobicContact CB-CZ 3.99Å; L76-F323 HydrophobicContact CD1-CE2 3.78Å; L76-F323 HydrophobicContact CG-CE2 4.3Å; L76-M333 HydrophobicContact CB-SD 4.2Å; L76-M333 HydrophobicContact CD2-SD 3.82Å
77V98.9Very high98.2Very high4 Ų427.7 Ų27.72%0.02415%0.147CC..Hα-helixtrans-59.5-44.7178.3171.80000110.9F73 K79 I80 S81 I146 T148 T301 A304 Y434F73-V77 WeakPolarHBondContact O-CG2 3.33Å; F73-V77 PolarHBondContact O-N 2.84Å; V77-K79 PolarHBondContact O-N 3.48Å; V77-I80 PolarHBondContact O-N 3.2Å; V77-S81 PolarHBondContact O-N 2.87Å; V77-I146 HydrophobicContact CG2-CD1 3.67Å; V77-T148 HydrophobicContact CG1-CG2 3.84Å; V77-T148 HydrophobicContact CG2-CG2 4.1Å; V77-T301 HydrophobicContact CG1-CG2 3.82Å; V77-A304 HydrophobicContact CG1-CB 4.22Å; V77-Y434 HydrophobicContact CG1-CE1 4.46Å
78D98.8Very high98.2Very high6 Ų630.3 Ų30.33%0.03216%0.158CC..Hα-helixtrans-61.8-44.2176.8-178.354.2000112.1N74 T75 L76 S81 Q82 Y434 R436 M441N74-D78 PolarHBondContact O-N 3.28Å; N74-D78 VanDerWaalsContact O-N 3.08Å; T75-D78 PolarHBondContact O-N 3.22Å; L76-D78 VanDerWaalsContact C-N 3.33Å; L76-D78 PolarHBondContact O-N 3.32Å; D78-S81 PolarHBondContact O-N 3.03Å; D78-S81 PolarHBondContact O-OG 3.44Å; D78-Q82 VanDerWaalsContact CG-NE2 3.34Å; D78-Q82 WeakPolarHBondContact O-CG 3.48Å; D78-Q82 PolarHBondContact O-N 3.07Å; D78-Q82 PolarHBondContact O-NE2 3.49Å; D78-Q82 PolarHBondContact OD1-NE2 3.11Å; D78-Q82 PolarHBondContact OD2-NE2 3.13Å; D78-Y434 HydrophobicContact CB-CD2 4.3Å; D78-Y434 HydrophobicContact CB-CE2 3.72Å; D78-R436 VanDerWaalsContact CG-NE 3.26Å; D78-R436 IonicContact OD1-CZ 3.62Å; D78-R436 VanDerWaalsContact OD1-CZ 3.28Å; D78-R436 IonicContact OD1-NE 2.77Å; D78-R436 PolarHBondContact OD1-NE 3.32Å; D78-R436 IonicContact OD1-NH2 3.33Å; D78-R436 PolarHBondContact OD1-NH2 3.4Å; D78-R436 VanDerWaalsContact OD2-CD 3.32Å; D78-R436 WeakPolarHBondContact OD2-CD 3.31Å; D78-R436 IonicContact OD2-CZ 2.85Å; D78-R436 IonicContact OD2-NE 3.7Å; D78-R436 PolarHBondContact OD2-NE 3.3Å; D78-M441 HydrophobicContact CB-CE 3.78Å; D78-M441 VanDerWaalsContact OD2-CE 3.28Å; D78-M441 WeakPolarHBondContact OD2-CE 3.12Å
79K98.5Very high98.1Very high60 Ų6033.9 Ų33.926%0.26117%0.168SC..Hα-helixtrans-64.3-41.7177.7-74.9177.9175.5176.20112.4T75 L76 V77 S81 Q82 D83 F322T75-K79 HydrophobicContact CG2-CD 4.01Å; T75-K79 HydrophobicContact CG2-CG 4.38Å; T75-K79 WeakPolarHBondContact O-CB 3.2Å; T75-K79 VanDerWaalsContact O-CG 3.3Å; T75-K79 WeakPolarHBondContact O-CG 3.11Å; T75-K79 PolarHBondContact O-N 3.03Å; L76-K79 PolarHBondContact O-N 3.02Å; V77-K79 PolarHBondContact O-N 3.48Å; K79-S81 VanDerWaalsContact C-N 3.34Å; K79-S81 PolarHBondContact O-N 3.33Å; K79-Q82 PolarHBondContact O-N 3.46Å; K79-D83 PolarHBondContact O-N 3.27Å; K79-F322 HydrophobicContact CB-CD1 3.84Å; K79-F322 HydrophobicContact CD-CB 4.25Å; K79-F322 WeakPolarHBondContact CD-O 3.4Å; K79-F322 WeakPolarHBondContact CE-O 3.17Å; K79-F322 PolarHBondContact NZ-O 2.88Å
80I98.6Very high98.1Very high1 Ų134.1 Ų34.11%0.00517%0.171CC..Hα-helixtrans-60.2-44.2174.3-67.5160.9000110.7L76 V77 Q82 D83 F86 L87 A304 V309 L313 F322L76-I80 HydrophobicContact CD1-CD1 3.78Å; L76-I80 HydrophobicContact CD1-CG1 4.1Å; L76-I80 HydrophobicContact CG-CD1 3.74Å; L76-I80 HydrophobicContact CG-CG1 4.48Å; L76-I80 WeakPolarHBondContact O-CD1 3.29Å; L76-I80 VanDerWaalsContact O-CG1 3.25Å; L76-I80 WeakPolarHBondContact O-CG1 3.4Å; L76-I80 PolarHBondContact O-N 2.95Å; V77-I80 PolarHBondContact O-N 3.2Å; I80-Q82 PolarHBondContact O-N 3.36Å; I80-Q82 VanDerWaalsContact O-N 3.09Å; I80-D83 PolarHBondContact O-N 2.93Å; I80-F86 HydrophobicContact CG1-CD1 4.47Å; I80-F86 HydrophobicContact CG1-CE1 4.12Å; I80-F86 HydrophobicContact CG2-CD1 3.88Å; I80-F86 HydrophobicContact CG2-CE1 3.79Å; I80-L87 HydrophobicContact CG2-CD2 3.73Å; I80-L87 HydrophobicContact CG2-CG 4.16Å; I80-A304 HydrophobicContact CB-CB 4.06Å; I80-A304 HydrophobicContact CG2-CB 3.53Å; I80-V309 HydrophobicContact CD1-CG1 4.15Å; I80-V309 HydrophobicContact CG2-CG1 4.2Å; I80-L313 HydrophobicContact CD1-CD1 3.69Å; I80-L313 HydrophobicContact CD1-CD2 3.87Å; I80-L313 HydrophobicContact CD1-CG 4.28Å; I80-L313 HydrophobicContact CG1-CD2 4.43Å; I80-F322 HydrophobicContact CG1-CE1 4.09Å; I80-F322 HydrophobicContact CG1-CE2 4.02Å; I80-F322 HydrophobicContact CG1-CZ 3.78Å
81S97.4Very high98.1Very high0 Ų034.1 Ų34.10%017%0.171CC..Hα-helixtrans-62.4-18.1179.880.40000114.4V77 D78 K79 R116V77-S81 PolarHBondContact O-N 2.87Å; D78-S81 PolarHBondContact O-N 3.03Å; D78-S81 PolarHBondContact O-OG 3.44Å; K79-S81 VanDerWaalsContact C-N 3.34Å; K79-S81 PolarHBondContact O-N 3.33Å; S81-R116 PolarHBondContact O-NH2 2.95Å; S81-R116 VanDerWaalsContact O-NH2 3.08Å
82Q96.3Very high98Very high79 Ų7934.2 Ų34.237%0.36918%0.176SC..Hα-helixtrans-94.4-22.1177-68.8169.891.700112.6D78 K79 I80 I84D78-Q82 VanDerWaalsContact CG-NE2 3.34Å; D78-Q82 WeakPolarHBondContact O-CG 3.48Å; D78-Q82 PolarHBondContact O-N 3.07Å; D78-Q82 PolarHBondContact O-NE2 3.49Å; D78-Q82 PolarHBondContact OD1-NE2 3.11Å; D78-Q82 PolarHBondContact OD2-NE2 3.13Å; K79-Q82 PolarHBondContact O-N 3.46Å; I80-Q82 PolarHBondContact O-N 3.36Å; I80-Q82 VanDerWaalsContact O-N 3.09Å; Q82-I84 PolarHBondContact O-N 2.9Å
83D97.6Very high97.9Very high35 Ų3533.5 Ų33.519%0.18718%0.176CC..  trans-90.789.8-175.4-163.8-33.1000110.9K79 I80 F86 L87 R321 F322K79-D83 PolarHBondContact O-N 3.27Å; I80-D83 PolarHBondContact O-N 2.93Å; D83-F86 HydrophobicContact CB-CB 3.88Å; D83-F86 PolarHBondContact O-N 3.27Å; D83-F86 VanDerWaalsContact OD1-CB 3.25Å; D83-F86 WeakPolarHBondContact OD1-CB 3.45Å; D83-F86 PolarHBondContact OD1-N 3.08Å; D83-L87 PolarHBondContact O-N 2.84Å; D83-L87 VanDerWaalsContact O-N 3.1Å; D83-R321 IonicContact OD1-CZ 3.45Å; D83-R321 IonicContact OD1-NH2 3.78Å; D83-R321 PolarHBondContact OD1-NH2 3.32Å; D83-R321 IonicContact OD2-CZ 2.76Å; D83-R321 VanDerWaalsContact OD2-CZ 3.24Å; D83-R321 IonicContact OD2-NE 3.17Å; D83-R321 PolarHBondContact OD2-NE 2.73Å; D83-R321 VanDerWaalsContact OD2-NE 3.12Å; D83-R321 IonicContact OD2-NH2 3.89Å; D83-R321 PolarHBondContact OD2-NH2 3.02Å; D83-F322 HydrophobicContact CB-CE1 3.95Å
84I95.8Very high97.8Very high66 Ų6633.3 Ų33.334%0.33818%0.175SC..Hα-helixtrans-61.3-47.9-176.1-59.7167.2000110.7Q82 F86 L87 Q88 L112Q82-I84 PolarHBondContact O-N 2.9Å; I84-F86 VanDerWaalsContact C-N 3.32Å; I84-F86 PolarHBondContact O-N 3.21Å; I84-L87 PolarHBondContact O-N 3.35Å; I84-Q88 WeakPolarHBondContact O-CB 3.42Å; I84-Q88 PolarHBondContact O-N 3.48Å; I84-L112 HydrophobicContact CB-CD1 4.26Å; I84-L112 HydrophobicContact CD1-CD1 3.85Å; I84-L112 HydrophobicContact CD1-CD2 3.55Å; I84-L112 HydrophobicContact CD1-CG 4.29Å; I84-L112 HydrophobicContact CG1-CD1 3.78Å; I84-L112 HydrophobicContact CG1-CD2 3.93Å; I84-L112 HydrophobicContact CG2-CD1 3.52Å
85D97.6Very high97.7Very high104 Ų10435.5 Ų35.556%0.55619%0.186SC*.Hα-helixtrans-63.9-42.5-176.9-63.6-26.1000110.1Q88 E89D85-Q88 PolarHBondContact O-N 3.08Å; D85-E89 WeakPolarHBondContact O-CB 3.48Å; D85-E89 VanDerWaalsContact O-CG 3.24Å; D85-E89 WeakPolarHBondContact O-CG 3.48Å; D85-E89 PolarHBondContact O-N 3.15Å
86F98.4Very high97.7Very high5 Ų541.5 Ų41.52%0.02221%0.212CC..Hα-helixtrans-60.2-48.3175.2175.9-98.6000112.7I80 D83 I84 Q88 E89 A90 V309 V312 L313 V318 F322I80-F86 HydrophobicContact CG1-CD1 4.47Å; I80-F86 HydrophobicContact CG1-CE1 4.12Å; I80-F86 HydrophobicContact CG2-CD1 3.88Å; I80-F86 HydrophobicContact CG2-CE1 3.79Å; D83-F86 HydrophobicContact CB-CB 3.88Å; D83-F86 PolarHBondContact O-N 3.27Å; D83-F86 VanDerWaalsContact OD1-CB 3.25Å; D83-F86 WeakPolarHBondContact OD1-CB 3.45Å; D83-F86 PolarHBondContact OD1-N 3.08Å; I84-F86 VanDerWaalsContact C-N 3.32Å; I84-F86 PolarHBondContact O-N 3.21Å; F86-Q88 VanDerWaalsContact C-N 3.32Å; F86-Q88 PolarHBondContact O-N 2.96Å; F86-E89 PolarHBondContact O-N 3.35Å; F86-A90 HydrophobicContact CE1-CB 4.49Å; F86-A90 HydrophobicContact CZ-CB 4.44Å; F86-A90 WeakPolarHBondContact O-CB 3.26Å; F86-A90 PolarHBondContact O-N 3.26Å; F86-V309 HydrophobicContact CE1-CG1 4.02Å; F86-V309 HydrophobicContact CZ-CG1 4.45Å; F86-V312 HydrophobicContact CE2-CG1 3.71Å; F86-V312 HydrophobicContact CZ-CB 4.48Å; F86-V312 HydrophobicContact CZ-CG1 3.97Å; F86-L313 HydrophobicContact CZ-CD2 4.05Å; F86-L313 HydrophobicContact CZ-CG 4.33Å; F86-V318 HydrophobicContact CD2-CG1 4.5Å; F86-V318 HydrophobicContact CE2-CG1 3.59Å; F86-V318 HydrophobicContact CZ-CG1 4.22Å; F86-F322 HydrophobicContact CB-CZ 4.24Å; F86-F322 HydrophobicContact CD1-CE2 4.48Å; F86-F322 AromaticContact CD1-CZ 3.79Å; F86-F322 HydrophobicContact CD1-CZ 3.79Å; F86-F322 HydrophobicContact CD2-CE2 4.21Å; F86-F322 AromaticContact CD2-CZ 3.9Å; F86-F322 HydrophobicContact CD2-CZ 3.9Å; F86-F322 HydrophobicContact CE1-CE2 4.34Å; F86-F322 HydrophobicContact CE1-CZ 4.06Å; F86-F322 HydrophobicContact CE2-CE2 4.08Å; F86-F322 HydrophobicContact CE2-CZ 4.17Å; F86-F322 HydrophobicContact CG-CE2 4.4Å; F86-F322 AromaticContact CG-CZ 3.69Å; F86-F322 HydrophobicContact CG-CZ 3.69Å; F86-F322 HydrophobicContact CZ-CE2 4.14Å; F86-F322 HydrophobicContact CZ-CZ 4.25Å
87L98.3Very high97.6Very high0 Ų043.6 Ų43.60%023%0.225CC..Hα-helixtrans-63.6-39.6179.3-78.2175.3000111.7I80 D83 I84 L91 L303 V309I80-L87 HydrophobicContact CG2-CD2 3.73Å; I80-L87 HydrophobicContact CG2-CG 4.16Å; D83-L87 PolarHBondContact O-N 2.84Å; D83-L87 VanDerWaalsContact O-N 3.1Å; I84-L87 PolarHBondContact O-N 3.35Å; L87-L91 VanDerWaalsContact O-CB 3.31Å; L87-L91 WeakPolarHBondContact O-CB 3.29Å; L87-L91 WeakPolarHBondContact O-CG 3.49Å; L87-L91 PolarHBondContact O-N 3.23Å; L87-L91 VanDerWaalsContact O-N 3.14Å; L87-L303 HydrophobicContact CD2-CB 4.15Å; L87-V309 HydrophobicContact CD2-CG2 3.98Å
88Q97.6Very high97.5Very high99 Ų9943.9 Ų43.946%0.46323%0.226SC..Hα-helixtrans-64.6-48.4176.9-179.5168.1-32.300111.7I84 D85 F86 A92 F105I84-Q88 WeakPolarHBondContact O-CB 3.42Å; I84-Q88 PolarHBondContact O-N 3.48Å; D85-Q88 PolarHBondContact O-N 3.08Å; F86-Q88 VanDerWaalsContact C-N 3.32Å; F86-Q88 PolarHBondContact O-N 2.96Å; Q88-A92 WeakPolarHBondContact O-CA 3.46Å; Q88-A92 WeakPolarHBondContact O-CB 3.25Å; Q88-A92 PolarHBondContact O-N 3.45Å; Q88-F105 HydrophobicContact CB-CE2 4.48Å; Q88-F105 HydrophobicContact CB-CZ 3.89Å; Q88-F105 HydrophobicContact CG-CZ 4.06Å
89E97.3Very high97.4Very high133 Ų13348.6 Ų48.662%0.62125%0.251SS*.Hα-helixtrans-64-46178.1-73.2173.3-176.700111.8D85 F86 L91D85-E89 WeakPolarHBondContact O-CB 3.48Å; D85-E89 VanDerWaalsContact O-CG 3.24Å; D85-E89 WeakPolarHBondContact O-CG 3.48Å; D85-E89 PolarHBondContact O-N 3.15Å; F86-E89 PolarHBondContact O-N 3.35Å; E89-L91 VanDerWaalsContact C-N 3.3Å; E89-L91 PolarHBondContact O-N 2.79Å
90A97.8Very high97.4Very high6 Ų646.2 Ų46.25%0.0524%0.241CC..Hα-helixtrans-64.2-35.1-17700000112.5F86 K308 V309 V312F86-A90 HydrophobicContact CE1-CB 4.49Å; F86-A90 HydrophobicContact CZ-CB 4.44Å; F86-A90 WeakPolarHBondContact O-CB 3.26Å; F86-A90 PolarHBondContact O-N 3.26Å; A90-K308 WeakPolarHBondContact O-CE 3.43Å; A90-K308 WeakPolarHBondContact O-CG 3.35Å; A90-V309 HydrophobicContact CB-CG2 4.36Å; A90-V312 HydrophobicContact CB-CB 4.36Å; A90-V312 HydrophobicContact CB-CG1 4.3Å; A90-V312 HydrophobicContact CB-CG2 4.07Å
91L98.1Very high97.4Very high0 Ų046.2 Ų46.20%024%0.241CC..Hα-helixtrans-102.3-3.6-174.2-61176000114.1L87 E89 S93 T94 I95 T101 F105 L303 K308 V309L87-L91 VanDerWaalsContact O-CB 3.31Å; L87-L91 WeakPolarHBondContact O-CB 3.29Å; L87-L91 WeakPolarHBondContact O-CG 3.49Å; L87-L91 PolarHBondContact O-N 3.23Å; L87-L91 VanDerWaalsContact O-N 3.14Å; E89-L91 VanDerWaalsContact C-N 3.3Å; E89-L91 PolarHBondContact O-N 2.79Å; L91-S93 PolarHBondContact O-N 2.72Å; L91-T94 WeakPolarHBondContact O-CB 3.47Å; L91-T94 PolarHBondContact O-N 2.92Å; L91-I95 HydrophobicContact CB-CG2 4.2Å; L91-I95 PolarHBondContact O-N 2.71Å; L91-T101 HydrophobicContact CD1-CG2 4.49Å; L91-T101 HydrophobicContact CD2-CG2 4.41Å; L91-F105 HydrophobicContact CD1-CD2 4.13Å; L91-L303 HydrophobicContact CD1-CB 4.2Å; L91-L303 HydrophobicContact CD1-CD2 3.87Å; L91-L303 HydrophobicContact CD1-CG 4.46Å; L91-K308 HydrophobicContact CD2-CB 3.89Å; L91-K308 HydrophobicContact CD2-CG 3.98Å; L91-V309 HydrophobicContact CD2-CG2 4.31Å
92A97.5Very high97.4Very high44 Ų4447.5 Ų47.536%0.36425%0.252SS..Hα-helixtrans-50.4-50.4-173.500000113.2Q88 T94 I95Q88-A92 WeakPolarHBondContact O-CA 3.46Å; Q88-A92 WeakPolarHBondContact O-CB 3.25Å; Q88-A92 PolarHBondContact O-N 3.45Å; A92-T94 VanDerWaalsContact C-N 3.34Å; A92-I95 WeakPolarHBondContact O-CG1 3.38Å
93S96Very high97.6Very high28 Ų2846.8 Ų46.820%0.19625%0.245CC..Hα-helixtrans-72.6-27.6179.361.30000113.2L91 D344 T395L91-S93 PolarHBondContact O-N 2.72Å; S93-D344 PolarHBondContact OG-OD1 3.28Å; S93-T395 PolarHBondContact O-OG1 3.2Å
94T96.6Very high97.6Very high0 Ų045.2 Ų45.20%024%0.237CC..Hα-helixtrans-76.7-41.8-176.4-62.40000111.4L91 A92 E96 V97 D98 T101 Q368 T395L91-T94 WeakPolarHBondContact O-CB 3.47Å; L91-T94 PolarHBondContact O-N 2.92Å; A92-T94 VanDerWaalsContact C-N 3.34Å; T94-E96 PolarHBondContact O-N 3.47Å; T94-V97 PolarHBondContact O-N 3.24Å; T94-V97 VanDerWaalsContact O-N 3.16Å; T94-D98 HydrophobicContact CG2-CB 4.25Å; T94-D98 WeakPolarHBondContact O-CB 3.4Å; T94-D98 PolarHBondContact O-N 2.94Å; T94-T101 HydrophobicContact CG2-CG2 4.13Å; T94-Q368 HydrophobicContact CG2-CG 3.55Å; T94-T395 PolarHBondContact OG1-O 2.95Å
95I97.8Very high97.7Very high45 Ų4542.4 Ų42.423%0.23122%0.222CC..Hα-helixtrans-69.5-15.9-179.162.8173.9000113.3L91 A92 V97 T101 A102 F105L91-I95 HydrophobicContact CB-CG2 4.2Å; L91-I95 PolarHBondContact O-N 2.71Å; A92-I95 WeakPolarHBondContact O-CG1 3.38Å; I95-V97 VanDerWaalsContact C-N 3.33Å; I95-T101 HydrophobicContact CG2-CG2 4.03Å; I95-A102 HydrophobicContact CB-CB 4.09Å; I95-A102 VanDerWaalsContact O-CB 3.23Å; I95-A102 WeakPolarHBondContact O-CB 3.44Å; I95-F105 HydrophobicContact CD1-CD1 3.6Å; I95-F105 HydrophobicContact CD1-CE1 3.8Å; I95-F105 HydrophobicContact CD1-CG 4.26Å; I95-F105 HydrophobicContact CG2-CB 3.79Å; I95-F105 HydrophobicContact CG2-CD1 4.39Å; I95-F105 HydrophobicContact CG2-CG 4Å
96E97.4Very high97.8Very high155 Ų15544.4 Ų44.472%0.72423%0.226SC*.THydrogen-bonded Turntrans-74.5-24.9173.9-69.4-178.2174.600112.8T94T94-E96 PolarHBondContact O-N 3.47Å
97V96.4Very high97.8Very high46 Ų4644.7 Ų44.728%0.27923%0.228SC..THydrogen-bonded Turntrans-121.9-18-171.5-57.70000113.9T94 I95 T395 A396T94-V97 PolarHBondContact O-N 3.24Å; T94-V97 VanDerWaalsContact O-N 3.16Å; I95-V97 VanDerWaalsContact C-N 3.33Å; V97-T395 WeakPolarHBondContact CG2-OG1 3.41Å; V97-A396 HydrophobicContact CG2-CB 3.87Å
98D97.6Very high97.8Very high10 Ų1044.9 Ų44.95%0.05323%0.229CC..  trans-112.797.7179.2-172.2-108.3000111.8T94 F100 T101 A102 R369T94-D98 HydrophobicContact CG2-CB 4.25Å; T94-D98 WeakPolarHBondContact O-CB 3.4Å; T94-D98 PolarHBondContact O-N 2.94Å; D98-F100 PolarHBondContact O-N 2.84Å; D98-T101 PolarHBondContact O-N 3.48Å; D98-T101 WeakPolarHBondContact OD1-CB 3.37Å; D98-T101 PolarHBondContact OD1-N 3.18Å; D98-T101 PolarHBondContact OD1-OG1 3.21Å; D98-A102 WeakPolarHBondContact O-CB 3.32Å; D98-A102 PolarHBondContact O-N 3.4Å; D98-R369 VanDerWaalsContact CG-NH1 3.27Å; D98-R369 IonicContact OD1-CZ 2.82Å; D98-R369 IonicContact OD1-NH1 2.78Å; D98-R369 PolarHBondContact OD1-NH1 3.43Å; D98-R369 IonicContact OD2-CZ 3.32Å; D98-R369 IonicContact OD2-NH1 3.49Å; D98-R369 PolarHBondContact OD2-NH1 3.07Å; D98-R369 IonicContact OD2-NH2 2.82Å; D98-R369 PolarHBondContact OD2-NH2 3.16Å
99D97.6Very high97.8Very high104 Ų10444.7 Ų44.756%0.55623%0.228SC*.Hα-helixtrans-54.3-38.2-177.2177.871.4000113A102 R103D99-A102 WeakPolarHBondContact O-CB 3.5Å; D99-A102 PolarHBondContact O-N 2.86Å; D99-R103 WeakPolarHBondContact O-CB 3.42Å; D99-R103 VanDerWaalsContact O-CG 3.28Å; D99-R103 WeakPolarHBondContact O-CG 3.24Å; D99-R103 PolarHBondContact O-N 3.4Å; D99-R103 IonicContact OD1-NE 2.92Å; D99-R103 PolarHBondContact OD1-NE 2.91Å; D99-R103 WeakPolarHBondContact OD2-CD 3.34Å; D99-R103 IonicContact OD2-CZ 3.93Å; D99-R103 IonicContact OD2-NE 3.86Å; D99-R103 PolarHBondContact OD2-NE 3.02Å
100F98Very high97.8Very high10 Ų1041.7 Ų41.74%0.04421%0.214CC..Hα-helixtrans-63.6-52.2179.7179.2-114.9000112.1D98 A102 R103 L104 P273 Y276 W282D98-F100 PolarHBondContact O-N 2.84Å; F100-A102 VanDerWaalsContact C-N 3.28Å; F100-A102 PolarHBondContact O-N 3.37Å; F100-R103 PolarHBondContact O-N 3.49Å; F100-L104 HydrophobicContact CD1-CD1 4.16Å; F100-L104 HydrophobicContact CE1-CD1 3.68Å; F100-L104 HydrophobicContact CE2-CD1 4.34Å; F100-L104 HydrophobicContact CE2-CG 4.46Å; F100-L104 HydrophobicContact CZ-CD1 3.79Å; F100-L104 HydrophobicContact CZ-CG 4.36Å; F100-L104 WeakPolarHBondContact O-CG 3.49Å; F100-L104 PolarHBondContact O-N 3.08Å; F100-L104 VanDerWaalsContact O-N 3.08Å; F100-P273 HydrophobicContact CB-CB 4.36Å; F100-P273 HydrophobicContact CB-CG 3.82Å; F100-P273 HydrophobicContact CD1-CG 4.22Å; F100-P273 HydrophobicContact CD2-CB 4.03Å; F100-P273 HydrophobicContact CD2-CG 3.9Å; F100-P273 HydrophobicContact CG-CB 4.29Å; F100-P273 HydrophobicContact CG-CG 3.71Å; F100-Y276 AromaticContact CE2-CD2 3.9Å; F100-Y276 HydrophobicContact CE2-CD2 3.9Å; F100-Y276 AromaticContact CE2-CE2 3.63Å; F100-Y276 HydrophobicContact CE2-CE2 3.63Å; F100-Y276 HydrophobicContact CZ-CE2 4.32Å; F100-W282 AromaticContact CD2-CH2 3.73Å; F100-W282 HydrophobicContact CD2-CH2 3.73Å; F100-W282 AromaticContact CD2-CZ2 3.97Å; F100-W282 HydrophobicContact CD2-CZ2 3.97Å; F100-W282 AromaticContact CE2-CH2 3.81Å; F100-W282 HydrophobicContact CE2-CH2 3.81Å; F100-W282 HydrophobicContact CE2-CZ2 4.27Å
101T98.3Very high97.8Very high1 Ų142.1 Ų42.11%0.00622%0.215CC..Hα-helixtrans-63.1-38.3176-54.10000110.7L91 T94 I95 D98 R103 L104 F105 L303L91-T101 HydrophobicContact CD1-CG2 4.49Å; L91-T101 HydrophobicContact CD2-CG2 4.41Å; T94-T101 HydrophobicContact CG2-CG2 4.13Å; I95-T101 HydrophobicContact CG2-CG2 4.03Å; D98-T101 PolarHBondContact O-N 3.48Å; D98-T101 WeakPolarHBondContact OD1-CB 3.37Å; D98-T101 PolarHBondContact OD1-N 3.18Å; D98-T101 PolarHBondContact OD1-OG1 3.21Å; T101-R103 PolarHBondContact O-N 3.06Å; T101-L104 PolarHBondContact O-N 3.24Å; T101-F105 VanDerWaalsContact O-CB 3.31Å; T101-F105 WeakPolarHBondContact O-CB 3.22Å; T101-F105 PolarHBondContact O-N 3.15Å; T101-L303 HydrophobicContact CG2-CD2 4.39Å
102A98.5Very high97.7Very high27 Ų2744.5 Ų44.522%0.22323%0.228CC..Hα-helixtrans-59.9-43.9176.400000112.4I95 D98 D99 F100 F105 K106I95-A102 HydrophobicContact CB-CB 4.09Å; I95-A102 VanDerWaalsContact O-CB 3.23Å; I95-A102 WeakPolarHBondContact O-CB 3.44Å; D98-A102 WeakPolarHBondContact O-CB 3.32Å; D98-A102 PolarHBondContact O-N 3.4Å; D99-A102 WeakPolarHBondContact O-CB 3.5Å; D99-A102 PolarHBondContact O-N 2.86Å; F100-A102 VanDerWaalsContact C-N 3.28Å; F100-A102 PolarHBondContact O-N 3.37Å; A102-F105 PolarHBondContact O-N 3.32Å; A102-K106 WeakPolarHBondContact O-CB 3.39Å; A102-K106 PolarHBondContact O-N 3.12Å
103R98.6Very high97.6Very high64 Ų6450.9 Ų50.924%0.24225%0.247CC..Hα-helixtrans-67.3-40.5177.2-72.9177.2176.9-112.74.2112.3D99 F100 T101 F105 K106 I107 E279 W282D99-R103 WeakPolarHBondContact O-CB 3.42Å; D99-R103 VanDerWaalsContact O-CG 3.28Å; D99-R103 WeakPolarHBondContact O-CG 3.24Å; D99-R103 PolarHBondContact O-N 3.4Å; D99-R103 IonicContact OD1-NE 2.92Å; D99-R103 PolarHBondContact OD1-NE 2.91Å; D99-R103 WeakPolarHBondContact OD2-CD 3.34Å; D99-R103 IonicContact OD2-CZ 3.93Å; D99-R103 IonicContact OD2-NE 3.86Å; D99-R103 PolarHBondContact OD2-NE 3.02Å; F100-R103 PolarHBondContact O-N 3.49Å; T101-R103 PolarHBondContact O-N 3.06Å; R103-F105 VanDerWaalsContact C-N 3.35Å; R103-K106 PolarHBondContact O-N 3.19Å; R103-I107 PolarHBondContact O-N 2.98Å; R103-I107 VanDerWaalsContact O-N 3.16Å; R103-E279 IonicContact CZ-OE1 2.79Å; R103-E279 VanDerWaalsContact CZ-OE1 3.29Å; R103-E279 IonicContact CZ-OE2 3.58Å; R103-E279 IonicContact NH1-OE1 3.88Å; R103-E279 PolarHBondContact NH1-OE1 3.03Å; R103-E279 IonicContact NH1-OE2 2.66Å; R103-E279 PolarHBondContact NH1-OE2 3.24Å; R103-E279 IonicContact NH2-OE1 2.72Å; R103-E279 PolarHBondContact NH2-OE1 3.17Å; R103-E279 IonicContact NH2-OE2 3.76Å; R103-W282 HydrophobicContact CB-CD2 4.21Å; R103-W282 HydrophobicContact CB-CE3 3.95Å; R103-W282 HydrophobicContact CB-CH2 3.49Å; R103-W282 VanDerWaalsContact CB-CH2 3.49Å; R103-W282 HydrophobicContact CB-CZ2 3.77Å; R103-W282 HydrophobicContact CB-CZ3 3.59Å; R103-W282 VanDerWaalsContact CD-CE2 3.41Å; R103-W282 VanDerWaalsContact CD-CZ2 3.46Å; R103-W282 HydrophobicContact CG-CH2 4.48Å; R103-W282 HydrophobicContact CG-CZ2 4.29Å
104L98.6Very high97.6Very high3 Ų352.2 Ų52.22%0.01625%0.25CS..Hα-helixtrans-60.8-45.2172.1-66.1174.3000111.2F100 T101 K106 I107 H108 W282 I299 L303F100-L104 HydrophobicContact CD1-CD1 4.16Å; F100-L104 HydrophobicContact CE1-CD1 3.68Å; F100-L104 HydrophobicContact CE2-CD1 4.34Å; F100-L104 HydrophobicContact CE2-CG 4.46Å; F100-L104 HydrophobicContact CZ-CD1 3.79Å; F100-L104 HydrophobicContact CZ-CG 4.36Å; F100-L104 WeakPolarHBondContact O-CG 3.49Å; F100-L104 PolarHBondContact O-N 3.08Å; F100-L104 VanDerWaalsContact O-N 3.08Å; T101-L104 PolarHBondContact O-N 3.24Å; L104-K106 PolarHBondContact O-N 2.83Å; L104-I107 WeakPolarHBondContact O-CB 3.12Å; L104-I107 PolarHBondContact O-N 2.93Å; L104-H108 PolarHBondContact O-N 2.84Å; L104-H108 VanDerWaalsContact O-N 3.08Å; L104-W282 HydrophobicContact CD2-CH2 4.23Å; L104-W282 HydrophobicContact CD2-CZ3 3.9Å; L104-W282 HydrophobicContact CG-CH2 4.33Å; L104-W282 HydrophobicContact CG-CZ3 4.3Å; L104-I299 HydrophobicContact CB-CD1 4.05Å; L104-I299 HydrophobicContact CD2-CD1 3.65Å; L104-I299 HydrophobicContact CG-CD1 4.45Å; L104-I299 WeakPolarHBondContact O-CG1 3.24Å; L104-L303 HydrophobicContact CB-CD2 3.86Å
105F98.5Very high97.5Very high6 Ų654 Ų543%0.02627%0.269CS..Hα-helixtrans-65.4-38178.6-166.7-98.4000112.3Q88 L91 I95 T101 A102 R103 I107 H108 Q109 L303Q88-F105 HydrophobicContact CB-CE2 4.48Å; Q88-F105 HydrophobicContact CB-CZ 3.89Å; Q88-F105 HydrophobicContact CG-CZ 4.06Å; L91-F105 HydrophobicContact CD1-CD2 4.13Å; I95-F105 HydrophobicContact CD1-CD1 3.6Å; I95-F105 HydrophobicContact CD1-CE1 3.8Å; I95-F105 HydrophobicContact CD1-CG 4.26Å; I95-F105 HydrophobicContact CG2-CB 3.79Å; I95-F105 HydrophobicContact CG2-CD1 4.39Å; I95-F105 HydrophobicContact CG2-CG 4Å; T101-F105 VanDerWaalsContact O-CB 3.31Å; T101-F105 WeakPolarHBondContact O-CB 3.22Å; T101-F105 PolarHBondContact O-N 3.15Å; A102-F105 PolarHBondContact O-N 3.32Å; R103-F105 VanDerWaalsContact C-N 3.35Å; F105-I107 VanDerWaalsContact C-N 3.32Å; F105-I107 PolarHBondContact O-N 3.32Å; F105-H108 WeakPolarHBondContact O-CA 3.47Å; F105-H108 VanDerWaalsContact O-CB 3.31Å; F105-H108 WeakPolarHBondContact O-CB 3.47Å; F105-H108 PolarHBondContact O-N 2.82Å; F105-H108 VanDerWaalsContact O-N 3.08Å; F105-Q109 HydrophobicContact CD1-CG 3.92Å; F105-Q109 VanDerWaalsContact CE1-CD 3.45Å; F105-Q109 HydrophobicContact CE1-CG 3.66Å; F105-Q109 HydrophobicContact CZ-CG 4.31Å; F105-Q109 WeakPolarHBondContact O-CG 3.45Å; F105-Q109 PolarHBondContact O-N 3.37Å; F105-L303 HydrophobicContact CD2-CD1 4.04Å
106K98.6Very high97.1Very high147 Ų14756.7 Ų56.764%0.63928%0.276SS*.Hα-helixtrans-60.1-40.8173.9-175.8179.5179.6-177.80112.1A102 R103 L104 H108 Q109 Q110A102-K106 WeakPolarHBondContact O-CB 3.39Å; A102-K106 PolarHBondContact O-N 3.12Å; R103-K106 PolarHBondContact O-N 3.19Å; L104-K106 PolarHBondContact O-N 2.83Å; K106-H108 VanDerWaalsContact C-N 3.35Å; K106-Q109 PolarHBondContact O-N 3.23Å; K106-Q110 WeakPolarHBondContact O-CB 3.4Å; K106-Q110 PolarHBondContact O-N 3.01Å
107I98.6Very high96.7Very high11 Ų1151 Ų516%0.05625%0.253CS..Hα-helixtrans-62.2-45.7172.8-68.3178.7000110R103 L104 F105 Q109 Q110 I111 W282 R285 L286 E289 I299R103-I107 PolarHBondContact O-N 2.98Å; R103-I107 VanDerWaalsContact O-N 3.16Å; L104-I107 WeakPolarHBondContact O-CB 3.12Å; L104-I107 PolarHBondContact O-N 2.93Å; F105-I107 VanDerWaalsContact C-N 3.32Å; F105-I107 PolarHBondContact O-N 3.32Å; I107-Q109 PolarHBondContact O-N 3.04Å; I107-Q110 PolarHBondContact O-N 3.32Å; I107-I111 HydrophobicContact CG2-CG1 4.36Å; I107-I111 WeakPolarHBondContact O-CG1 3.46Å; I107-I111 PolarHBondContact O-N 3.41Å; I107-W282 HydrophobicContact CD1-CE3 3.9Å; I107-W282 HydrophobicContact CD1-CZ3 4.31Å; I107-R285 HydrophobicContact CD1-CB 4.03Å; I107-R285 HydrophobicContact CD1-CG 3.6Å; I107-L286 HydrophobicContact CD1-CB 4.33Å; I107-L286 HydrophobicContact CG1-CB 4.32Å; I107-L286 HydrophobicContact CG1-CD1 4.42Å; I107-L286 HydrophobicContact CG2-CD1 3.99Å; I107-E289 HydrophobicContact CG2-CB 4.13Å; I107-E289 HydrophobicContact CG2-CG 3.89Å; I107-I299 HydrophobicContact CB-CD1 4.42Å; I107-I299 HydrophobicContact CB-CG1 4.17Å; I107-I299 HydrophobicContact CG2-CB 4.28Å; I107-I299 HydrophobicContact CG2-CD1 4.3Å; I107-I299 HydrophobicContact CG2-CG1 3.94Å; I107-I299 HydrophobicContact CG2-CG2 4.37Å
108H98.1Very high96.5Very high4 Ų450.3 Ų50.32%0.01925%0.247CC..Hα-helixtrans-56.6-48.8176.7-17765.5000112.3L104 F105 K106 Q110 I111 L112 I299 L303L104-H108 PolarHBondContact O-N 2.84Å; L104-H108 VanDerWaalsContact O-N 3.08Å; F105-H108 WeakPolarHBondContact O-CA 3.47Å; F105-H108 VanDerWaalsContact O-CB 3.31Å; F105-H108 WeakPolarHBondContact O-CB 3.47Å; F105-H108 PolarHBondContact O-N 2.82Å; F105-H108 VanDerWaalsContact O-N 3.08Å; K106-H108 VanDerWaalsContact C-N 3.35Å; H108-Q110 VanDerWaalsContact C-N 3.33Å; H108-Q110 PolarHBondContact O-N 3.05Å; H108-I111 PolarHBondContact O-N 3.16Å; H108-L112 WeakPolarHBondContact O-CG 3.38Å; H108-L112 PolarHBondContact O-N 3.15Å; H108-I299 HydrophobicContact CB-CG1 4.24Å; H108-I299 HydrophobicContact CB-CG2 3.9Å; H108-L303 HydrophobicContact CB-CD1 3.67Å
109Q97.9Very high96.3Very high94 Ų9453 Ų5344%0.43927%0.267SS..Hα-helixtrans-59.5-41.8176.2-70.4-176.6-49.900112.5F105 K106 I107 L112 K113F105-Q109 HydrophobicContact CD1-CG 3.92Å; F105-Q109 VanDerWaalsContact CE1-CD 3.45Å; F105-Q109 HydrophobicContact CE1-CG 3.66Å; F105-Q109 HydrophobicContact CZ-CG 4.31Å; F105-Q109 WeakPolarHBondContact O-CG 3.45Å; F105-Q109 PolarHBondContact O-N 3.37Å; K106-Q109 PolarHBondContact O-N 3.23Å; I107-Q109 PolarHBondContact O-N 3.04Å; Q109-L112 PolarHBondContact O-N 3.39Å; Q109-K113 WeakPolarHBondContact O-CB 3.22Å; Q109-K113 PolarHBondContact O-N 3.19Å
110Q98Very high96.4Very high70 Ų7048.5 Ų48.533%0.32724%0.242SC..Hα-helixtrans-63.2-43.5177.9-172.1662500111.6K106 I107 H108 L112 K113 E114 L286K106-Q110 WeakPolarHBondContact O-CB 3.4Å; K106-Q110 PolarHBondContact O-N 3.01Å; I107-Q110 PolarHBondContact O-N 3.32Å; H108-Q110 VanDerWaalsContact C-N 3.33Å; H108-Q110 PolarHBondContact O-N 3.05Å; Q110-L112 VanDerWaalsContact C-N 3.35Å; Q110-L112 PolarHBondContact O-N 2.87Å; Q110-K113 PolarHBondContact O-N 3.29Å; Q110-E114 PolarHBondContact NE2-OE1 2.9Å; Q110-E114 WeakPolarHBondContact O-CG 3.37Å; Q110-E114 PolarHBondContact O-N 2.88Å; Q110-L286 HydrophobicContact CB-CD1 4.17Å; Q110-L286 HydrophobicContact CG-CD1 4Å; Q110-L286 HydrophobicContact CG-CD2 4.41Å
111I97Very high96.4Very high16 Ų1648.3 Ų48.38%0.08224%0.242CC..Hα-helixtrans-63.9-39.7177.3-65-59000111.8I107 H108 G115 R116 L286 E289 R290I107-I111 HydrophobicContact CG2-CG1 4.36Å; I107-I111 WeakPolarHBondContact O-CG1 3.46Å; I107-I111 PolarHBondContact O-N 3.41Å; H108-I111 PolarHBondContact O-N 3.16Å; I111-G115 CarbonylContact O-C 3.44Å; I111-G115 PolarHBondContact O-N 2.91Å; I111-G115 VanDerWaalsContact O-N 3.07Å; I111-R116 HydrophobicContact CG2-CG 4.07Å; I111-L286 HydrophobicContact CD1-CD1 4.24Å; I111-E289 HydrophobicContact CD1-CB 3.79Å; I111-E289 HydrophobicContact CG1-CB 3.96Å; I111-R290 HydrophobicContact CD1-CB 4.2Å; I111-R290 HydrophobicContact CD1-CG 3.5Å
112L95.2Very high96.4Very high50 Ų5048.2 Ų48.226%0.26224%0.242SC..Hα-helixtrans-65.1-43.5176-68.7176.1000111.8I84 H108 Q109 Q110 E114 G115I84-L112 HydrophobicContact CB-CD1 4.26Å; I84-L112 HydrophobicContact CD1-CD1 3.85Å; I84-L112 HydrophobicContact CD1-CD2 3.55Å; I84-L112 HydrophobicContact CD1-CG 4.29Å; I84-L112 HydrophobicContact CG1-CD1 3.78Å; I84-L112 HydrophobicContact CG1-CD2 3.93Å; I84-L112 HydrophobicContact CG2-CD1 3.52Å; H108-L112 WeakPolarHBondContact O-CG 3.38Å; H108-L112 PolarHBondContact O-N 3.15Å; Q109-L112 PolarHBondContact O-N 3.39Å; Q110-L112 VanDerWaalsContact C-N 3.35Å; Q110-L112 PolarHBondContact O-N 2.87Å; L112-E114 VanDerWaalsContact C-N 3.34Å; L112-E114 PolarHBondContact O-N 3.04Å; L112-G115 PolarHBondContact O-N 3.42Å
113K97.1Very high96.5Very high177 Ų17747 Ų4777%0.7723%0.232SC*.Hα-helixtrans-63.1-38.9178.5-176.9178.9178.1-179.80112.7Q109 Q110Q109-K113 WeakPolarHBondContact O-CB 3.22Å; Q109-K113 PolarHBondContact O-N 3.19Å; Q110-K113 PolarHBondContact O-N 3.29Å
114E95.9Very high96.5Very high57 Ų5744.1 Ų44.127%0.26622%0.221SC..Hα-helixtrans-81.7-15.5180-69.7-175.1-162.700114.3Q110 L112 R290Q110-E114 PolarHBondContact NE2-OE1 2.9Å; Q110-E114 WeakPolarHBondContact O-CG 3.37Å; Q110-E114 PolarHBondContact O-N 2.88Å; L112-E114 VanDerWaalsContact C-N 3.34Å; L112-E114 PolarHBondContact O-N 3.04Å; E114-R290 VanDerWaalsContact CD-NE 3.34Å; E114-R290 IonicContact OE1-CZ 3.61Å; E114-R290 IonicContact OE1-NE 2.83Å; E114-R290 PolarHBondContact OE1-NE 2.78Å; E114-R290 IonicContact OE1-NH2 3.16Å; E114-R290 PolarHBondContact OE1-NH2 3.36Å; E114-R290 IonicContact OE2-CZ 3.73Å; E114-R290 IonicContact OE2-NE 3.16Å; E114-R290 PolarHBondContact OE2-NE 3Å; E114-R290 IonicContact OE2-NH2 3.62Å; E114-R290 PolarHBondContact OE2-NH2 3.12Å
115G92.9Very high96.5Very high37 Ų3744.1 Ų44.138%0.38122%0.221SC..  trans83.3135-168.600000112.3I111 L112 S117I111-G115 CarbonylContact O-C 3.44Å; I111-G115 PolarHBondContact O-N 2.91Å; I111-G115 VanDerWaalsContact O-N 3.07Å; L112-G115 PolarHBondContact O-N 3.42Å; G115-S117 PolarHBondContact O-N 3.23Å
116R89.6Confident96.5Very high101 Ų10144.3 Ų44.338%0.38122%0.221SC..  trans-65127.4178.7-64.1-177.3-176.1-162.20.4109.8S81 I111S81-R116 PolarHBondContact O-NH2 2.95Å; S81-R116 VanDerWaalsContact O-NH2 3.08Å; I111-R116 HydrophobicContact CG2-CG 4.07Å
117S89.5Confident96.5Very high36 Ų3637.3 Ų37.325%0.25219%0.191SC..SBendtrans-89-16.3-179.2-570000113.4G115 K253 R290G115-S117 PolarHBondContact O-N 3.23Å; S117-K253 WeakPolarHBondContact OG-CD 3.5Å; S117-K253 PolarHBondContact OG-NZ 3.46Å; S117-R290 WeakPolarHBondContact CB-O 3.46Å; S117-R290 PolarHBondContact OG-O 2.96Å
118Q92.5Very high96.5Very high31 Ų3136.8 Ų36.815%0.14519%0.188CC..  trans-123.5131.3178.8177.751.6-8600109.8I120 Q292 V294Q118-I120 HydrophobicContact CG-CB 4.35Å; Q118-I120 WeakPolarHBondContact CG-O 3.48Å; Q118-Q292 PolarHBondContact NE2-O 3.19Å; Q118-V294 HydrophobicContact CG-CG2 4.18Å
119S94.4Very high96.5Very high67 Ų6736.6 Ų36.647%0.46919%0.188SC..  trans-97.8-13.3-18066.20000113.7G438S119-G438 PolarHBondContact O-N 2.87Å
120I98.6Very high96.5Very high9 Ų933 Ų335%0.04617%0.171CC..EExtended strand (participates in β ladder)trans-85.2128.4174.4-55.9157.3000108.8Q118 A196 L199 V294 V435 R436 Q437Q118-I120 HydrophobicContact CG-CB 4.35Å; Q118-I120 WeakPolarHBondContact CG-O 3.48Å; I120-A196 HydrophobicContact CG2-CB 4.5Å; I120-L199 HydrophobicContact CD1-CB 3.53Å; I120-L199 HydrophobicContact CG1-CB 4.13Å; I120-L199 HydrophobicContact CG2-CD1 4.31Å; I120-V294 HydrophobicContact CB-CG1 4.4Å; I120-V294 HydrophobicContact CB-CG2 3.83Å; I120-V294 HydrophobicContact CD1-CG2 4.15Å; I120-V294 HydrophobicContact CG2-CG1 3.95Å; I120-V294 HydrophobicContact CG2-CG2 3.84Å; I120-V435 HydrophobicContact CG2-CG1 4Å; I120-R436 CarbonylContact C-O 3.55Å; I120-R436 VanDerWaalsContact CA-O 3.22Å; I120-R436 WeakPolarHBondContact CA-O 3.35Å; I120-Q437 HydrophobicContact CG1-CG 4.22Å
121V98.5Very high96.3Very high6 Ų631 Ų314%0.03616%0.162CC..EExtended strand (participates in β ladder)trans-119.3131.5174.7176.70000108.8Y434 V435 R436V121-Y434 HydrophobicContact CG1-CE2 4.16Å; V121-V435 CarbonylContact O-C 3.51Å; V121-V435 VanDerWaalsContact O-CA 3.27Å; V121-V435 WeakPolarHBondContact O-CA 3.21Å; V121-R436 PolarHBondContact N-O 3.31Å; V121-R436 PolarHBondContact O-N 2.74Å
122L98.9Very high96.1Very high0 Ų030.7 Ų30.70%016%0.161CC..EExtended strand (participates in β ladder)trans-121.3125.7175.7165.262.1000108.6L124 L193 A196 V264 V294 C296 Y434 V435L122-L124 HydrophobicContact CD1-CD2 3.87Å; L122-L124 HydrophobicContact CD1-CG 4.03Å; L122-L124 HydrophobicContact CG-CG 4.46Å; L122-L193 HydrophobicContact CD2-CD2 3.7Å; L122-L193 HydrophobicContact CD2-CG 4.27Å; L122-A196 HydrophobicContact CB-CB 4.16Å; L122-A196 HydrophobicContact CD2-CB 3.81Å; L122-A196 HydrophobicContact CG-CB 4.5Å; L122-V264 HydrophobicContact CD2-CG1 4.23Å; L122-V294 HydrophobicContact CB-CG1 3.83Å; L122-C296 HydrophobicContact CB-CB 4.42Å; L122-C296 HydrophobicContact CD2-CB 3.68Å; L122-C296 HydrophobicContact CG-CB 3.83Å; L122-Y434 WeakPolarHBondContact CA-O 3.42Å; L122-Y434 WeakPolarHBondContact CD1-O 3.39Å; L122-V435 HydrophobicContact CD1-CG2 3.76Å
123G98.8Very high95.7Very high1 Ų131.9 Ų31.91%0.0117%0.165CC..EExtended strand (participates in β ladder)trans-119122.9169.100000111.2A433 Y434G123-A433 WeakPolarHBondContact O-CA 3.17Å; G123-Y434 PolarHBondContact N-O 2.88Å; G123-Y434 PolarHBondContact O-N 3Å
124L98.9Very high94.5Very high4 Ų430 Ų302%0.02115%0.153CC..EExtended strand (participates in β ladder)trans-113.3102.1167.2-64.5-172.6000107.8L122 L189 L193 Y266 C296 G432 A433L122-L124 HydrophobicContact CD1-CD2 3.87Å; L122-L124 HydrophobicContact CD1-CG 4.03Å; L122-L124 HydrophobicContact CG-CG 4.46Å; L124-L189 HydrophobicContact CB-CD2 4.03Å; L124-L189 HydrophobicContact CD1-CB 4.15Å; L124-L189 HydrophobicContact CD1-CD2 4.2Å; L124-L189 HydrophobicContact CD2-CD2 3.83Å; L124-L189 HydrophobicContact CG-CD2 4.23Å; L124-L193 HydrophobicContact CD1-CD1 4.11Å; L124-L193 HydrophobicContact CD1-CD2 4.34Å; L124-L193 HydrophobicContact CD1-CG 3.92Å; L124-Y266 HydrophobicContact CD1-CD2 4.5Å; L124-Y266 HydrophobicContact CD1-CE2 3.91Å; L124-C296 VanDerWaalsContact CG-SG 3.52Å; L124-G432 WeakPolarHBondContact CA-O 3.37Å; L124-A433 HydrophobicContact CD2-CB 3.58Å
125N98.8Very high93Very high2 Ų237 Ų371%0.01119%0.186CC..EExtended strand (participates in β ladder)trans-121.5167.7-171.868.553.9000111.8Q70 N74 N147 F431 G432Q70-N125 PolarHBondContact NE2-OD1 3.41Å; N74-N125 PolarHBondContact OD1-ND2 3.5Å; N74-N125 PolarHBondContact OD1-OD1 2.9Å; N125-N147 CarbonylContact C-O 3.4Å; N125-N147 WeakPolarHBondContact CA-O 3.43Å; N125-N147 WeakPolarHBondContact CB-O 3.26Å; N125-F431 WeakPolarHBondContact O-CA 3.36Å; N125-G432 PolarHBondContact N-O 2.81Å; N125-G432 PolarHBondContact O-N 3.29Å
126R98.8Very high91.6Very high10 Ų1040.3 Ų40.34%0.03820%0.195CC..EExtended strand (participates in β ladder)trans-136.7119170.2-168.3-176.569.8-103.5-15110.4D128 N147 A151 S152 V430 F431R126-D128 IonicContact CZ-OD1 2.89Å; R126-D128 IonicContact CZ-OD2 2.78Å; R126-D128 IonicContact NE-OD1 2.9Å; R126-D128 PolarHBondContact NE-OD1 3.46Å; R126-D128 IonicContact NE-OD2 3.28Å; R126-D128 PolarHBondContact NE-OD2 2.77Å; R126-D128 IonicContact NH2-OD1 3.32Å; R126-D128 IonicContact NH2-OD2 3Å; R126-D128 PolarHBondContact NH2-OD2 3.42Å; R126-N147 HydrophobicContact CB-CB 4.41Å; R126-N147 PolarHBondContact N-O 2.85Å; R126-N147 VanDerWaalsContact NH2-CG 3.3Å; R126-N147 PolarHBondContact NH2-ND2 2.54Å; R126-N147 PolarHBondContact NH2-OD1 3.06Å; R126-N147 VanDerWaalsContact NH2-OD1 3.14Å; R126-N147 PolarHBondContact O-N 3.19Å; R126-N147 PolarHBondContact O-ND2 3.16Å; R126-A151 HydrophobicContact CB-CB 4.03Å; R126-S152 PolarHBondContact NH1-O 3.39Å; R126-S152 VanDerWaalsContact NH1-O 3.11Å; R126-V430 CarbonylContact C-O 3.52Å; R126-V430 VanDerWaalsContact CA-O 3.23Å; R126-V430 WeakPolarHBondContact CA-O 3.35Å; R126-V430 WeakPolarHBondContact CG-O 3.34Å; R126-F431 HydrophobicContact CB-CD1 3.86Å; R126-F431 HydrophobicContact CB-CE1 3.97Å; R126-F431 HydrophobicContact CG-CD1 3.96Å; R126-F431 HydrophobicContact CG-CE1 3.98Å; R126-F431 HydrophobicContact CG-CG 4.33Å; R126-F431 HydrophobicContact CG-CZ 4.34Å
127S98.8Very high90.4Very high0 Ų043.8 Ų43.80%022%0.216CC..EExtended strand (participates in β ladder)trans-90.1121.5173.6-171.50000109.1Y129 Q143 G429 V430S127-Y129 WeakPolarHBondContact CB-OH 3.23Å; S127-Y129 WeakPolarHBondContact O-CD2 3.27Å; S127-Y129 VanDerWaalsContact O-CE2 3.29Å; S127-Y129 WeakPolarHBondContact O-CE2 3.3Å; S127-Y129 WeakPolarHBondContact OG-CE2 3.1Å; S127-Y129 PolarHBondContact OG-OH 3.08Å; S127-Q143 PolarHBondContact OG-NE2 3.32Å; S127-G429 CarbonylContact O-C 3.53Å; S127-G429 WeakPolarHBondContact O-CA 3.42Å; S127-V430 PolarHBondContact N-O 3.04Å; S127-V430 PolarHBondContact O-N 3.48Å
128D98.6Very high89.7Confident0 Ų045.4 Ų45.40%022%0.224CC..EExtended strand (participates in β ladder)trans-107.3139.2-173.4-70.6-46.4000111.3R126 Q143 I144 E145 N147 E427 L428 G429 R452R126-D128 IonicContact CZ-OD1 2.89Å; R126-D128 IonicContact CZ-OD2 2.78Å; R126-D128 IonicContact NE-OD1 2.9Å; R126-D128 PolarHBondContact NE-OD1 3.46Å; R126-D128 IonicContact NE-OD2 3.28Å; R126-D128 PolarHBondContact NE-OD2 2.77Å; R126-D128 IonicContact NH2-OD1 3.32Å; R126-D128 IonicContact NH2-OD2 3Å; R126-D128 PolarHBondContact NH2-OD2 3.42Å; D128-Q143 CarbonylContact O-C 3.51Å; D128-Q143 WeakPolarHBondContact O-CA 3.45Å; D128-I144 HydrophobicContact CB-CB 4.4Å; D128-I144 PolarHBondContact O-N 3.14Å; D128-E145 HydrophobicContact CB-CG 4.34Å; D128-E145 PolarHBondContact N-O 3.29Å; D128-N147 PolarHBondContact OD2-ND2 2.92Å; D128-E427 HydrophobicContact CB-CG 4.31Å; D128-E427 VanDerWaalsContact CB-OE1 3.3Å; D128-E427 WeakPolarHBondContact CB-OE1 3.5Å; D128-L428 CarbonylContact C-O 3.21Å; D128-L428 WeakPolarHBondContact CA-O 3.3Å; D128-G429 WeakPolarHBondContact OD1-CA 3.36Å; D128-R452 IonicContact OD1-CZ 3.24Å; D128-R452 IonicContact OD1-NH2 2.74Å; D128-R452 PolarHBondContact OD1-NH2 2.86Å; D128-R452 IonicContact OD2-CZ 3.95Å; D128-R452 IonicContact OD2-NH2 2.77Å; D128-R452 PolarHBondContact OD2-NH2 3.08Å
129Y98.5Very high89.3Confident1 Ų146.9 Ų46.90%0.00424%0.237CC..EExtended strand (participates in β ladder)trans-138.3150.1-172.7-52.4-91.9000112.5A66 V69 F73 S127 L141 K142 Q143 T336 E427 L428 V430A66-Y129 HydrophobicContact CB-CD2 4.07Å; A66-Y129 HydrophobicContact CB-CE2 4.08Å; V69-Y129 VanDerWaalsContact CG1-OH 3.28Å; V69-Y129 WeakPolarHBondContact CG1-OH 3.49Å; F73-Y129 WeakPolarHBondContact CD2-OH 3.34Å; F73-Y129 HydrophobicContact CE2-CE1 4.47Å; F73-Y129 VanDerWaalsContact CE2-OH 3.23Å; F73-Y129 WeakPolarHBondContact CE2-OH 3.42Å; S127-Y129 WeakPolarHBondContact CB-OH 3.23Å; S127-Y129 WeakPolarHBondContact O-CD2 3.27Å; S127-Y129 VanDerWaalsContact O-CE2 3.29Å; S127-Y129 WeakPolarHBondContact O-CE2 3.3Å; S127-Y129 WeakPolarHBondContact OG-CE2 3.1Å; S127-Y129 PolarHBondContact OG-OH 3.08Å; Y129-L141 VanDerWaalsContact CB-CD1 3.42Å; Y129-L141 HydrophobicContact CD1-CD1 4.1Å; Y129-L141 HydrophobicContact CD1-CD2 3.81Å; Y129-L141 HydrophobicContact CD1-CG 3.71Å; Y129-L141 HydrophobicContact CE1-CD2 4.1Å; Y129-L141 HydrophobicContact CE1-CG 4.45Å; Y129-L141 HydrophobicContact CG-CD1 3.83Å; Y129-L141 HydrophobicContact CG-CD2 4.14Å; Y129-L141 HydrophobicContact CG-CG 3.98Å; Y129-K142 CarbonylContact C-O 3.54Å; Y129-K142 VanDerWaalsContact CA-O 3.23Å; Y129-K142 WeakPolarHBondContact CA-O 3.44Å; Y129-Q143 HydrophobicContact CD1-CB 3.81Å; Y129-Q143 HydrophobicContact CD1-CG 4.28Å; Y129-Q143 HydrophobicContact CE1-CB 3.78Å; Y129-Q143 HydrophobicContact CE1-CG 4.04Å; Y129-T336 HydrophobicContact CE1-CG2 4.04Å; Y129-E427 CarbonylContact O-C 3.5Å; Y129-E427 WeakPolarHBondContact O-CA 3.46Å; Y129-E427 WeakPolarHBondContact O-CG 3.4Å; Y129-L428 WeakPolarHBondContact CD2-O 3.22Å; Y129-L428 PolarHBondContact N-O 2.87Å; Y129-L428 PolarHBondContact O-N 3.46Å; Y129-V430 HydrophobicContact CD2-CG2 4.48Å; Y129-V430 HydrophobicContact CE2-CB 4.48Å; Y129-V430 HydrophobicContact CE2-CG2 4.18Å
130M96.9Very high89.2Confident18 Ų1845.3 Ų45.39%0.08923%0.226CC..EExtended strand (participates in β ladder)trans-121.9154.5162.7-73.9-176175.100109.8D132 K142 I144 I403 P405 E427M130-D132 PolarHBondContact O-N 3.35Å; M130-K142 PolarHBondContact N-O 3.49Å; M130-K142 PolarHBondContact O-N 3.39Å; M130-I144 HydrophobicContact CB-CD1 4.09Å; M130-I144 HydrophobicContact CB-CG1 4.34Å; M130-I144 HydrophobicContact CE-CD1 4.45Å; M130-I144 HydrophobicContact CG-CD1 3.75Å; M130-I144 HydrophobicContact CG-CG1 3.92Å; M130-I144 HydrophobicContact SD-CD1 3.74Å; M130-I144 HydrophobicContact SD-CG1 4.48Å; M130-I403 HydrophobicContact CB-CB 4.31Å; M130-I403 HydrophobicContact CB-CD1 4.48Å; M130-I403 HydrophobicContact CB-CG2 3.54Å; M130-P405 HydrophobicContact SD-CG 4.02Å; M130-E427 HydrophobicContact CE-CB 3.82Å; M130-E427 HydrophobicContact CE-CG 4.1Å; M130-E427 HydrophobicContact CG-CB 4.18Å; M130-E427 HydrophobicContact CG-CG 4.07Å
131L94.2Very high89.1Confident28 Ų2845 Ų4515%0.14723%0.225CC..EExtended strand (participates in β ladder)trans-84.4108.3172.2-174.860.6000108.8P59 V62 Q133 P405P59-L131 HydrophobicContact CG-CD2 3.86Å; V62-L131 HydrophobicContact CB-CD1 4.46Å; V62-L131 HydrophobicContact CG1-CD1 3.96Å; V62-L131 HydrophobicContact CG2-CD1 3.62Å; L131-Q133 HydrophobicContact CD2-CG 4.4Å; L131-Q133 HydrophobicContact CG-CG 4.21Å; L131-Q133 PolarHBondContact O-N 2.97Å; L131-P405 WeakPolarHBondContact O-CA 3.46Å; L131-P405 WeakPolarHBondContact O-CB 3.49Å
132D92.7Very high89.1Confident10 Ų1046.1 Ų46.15%0.05323%0.229CC..EExtended strand (participates in β ladder)trans-74.9119.8172.9-166.343.8000109M130 R134 S139 S140 K142 I403 N404M130-D132 PolarHBondContact O-N 3.35Å; D132-R134 IonicContact OD2-CZ 2.8Å; D132-R134 IonicContact OD2-NE 3.68Å; D132-R134 PolarHBondContact OD2-NE 3.25Å; D132-R134 IonicContact OD2-NH2 2.98Å; D132-S139 WeakPolarHBondContact O-CA 3.28Å; D132-S140 PolarHBondContact N-O 3.02Å; D132-S140 PolarHBondContact O-N 3.41Å; D132-K142 HydrophobicContact CB-CB 4.49Å; D132-K142 HydrophobicContact CB-CG 3.75Å; D132-I403 HydrophobicContact CB-CG2 3.77Å; D132-N404 PolarHBondContact OD1-N 2.83Å
133Q86.3Confident89.1Confident75 Ų7546.3 Ų46.335%0.3523%0.23SC..EExtended strand (participates in β ladder)trans-111.8108174.9-65.4-161.9-1500109.1L131 N404L131-Q133 HydrophobicContact CD2-CG 4.4Å; L131-Q133 HydrophobicContact CG-CG 4.21Å; L131-Q133 PolarHBondContact O-N 2.97Å; Q133-N404 PolarHBondContact N-O 3.33Å
134R71.9Confident89Confident136 Ų13647.3 Ų47.351%0.51324%0.235SC..  trans-86.8162.5178.9-64.8-177.7179.5-159.4-3.7110.5D132 D136 Q137 T138D132-R134 IonicContact OD2-CZ 2.8Å; D132-R134 IonicContact OD2-NE 3.68Å; D132-R134 PolarHBondContact OD2-NE 3.25Å; D132-R134 IonicContact OD2-NH2 2.98Å; R134-D136 WeakPolarHBondContact CB-OD1 3.36Å; R134-D136 PolarHBondContact O-N 3.4Å; R134-D136 VanDerWaalsContact O-N 3.1Å; R134-Q137 PolarHBondContact O-N 3.2Å; R134-T138 PolarHBondContact N-O 2.96Å; R134-T138 VanDerWaalsContact N-O 3.17Å
135E64.2Low89Confident205 Ų20548.2 Ų48.296%0.95824%0.239SC*.THydrogen-bonded Turntrans-58.6-24-178.1-66.1-177.4170.200113.2Q137E135-Q137 PolarHBondContact O-N 2.98Å
136D64.8Low89Confident106 Ų10648.7 Ų48.757%0.56724%0.242SC*.THydrogen-bonded Turntrans-79.19.4175.167.6-1.4000114R134 T138R134-D136 WeakPolarHBondContact CB-OD1 3.36Å; R134-D136 PolarHBondContact O-N 3.4Å; R134-D136 VanDerWaalsContact O-N 3.1Å; D136-T138 VanDerWaalsContact CG-OG1 3.3Å; D136-T138 PolarHBondContact O-N 2.96Å; D136-T138 VanDerWaalsContact O-N 3.12Å; D136-T138 VanDerWaalsContact OD1-CB 3.3Å; D136-T138 WeakPolarHBondContact OD1-CB 3.45Å; D136-T138 WeakPolarHBondContact OD1-CG2 3.45Å; D136-T138 PolarHBondContact OD1-N 3.44Å; D136-T138 PolarHBondContact OD1-OG1 3.01Å; D136-T138 PolarHBondContact OD2-OG1 3.1Å
137Q64.7Low89Confident175 Ų17548.9 Ų48.982%0.81824%0.244SC*.  trans61.49.3-175.8-54.4-174.510.200114.7R134 E135 S139R134-Q137 PolarHBondContact O-N 3.2Å; E135-Q137 PolarHBondContact O-N 2.98Å; Q137-S139 PolarHBondContact O-N 3.16Å
138T73.8Confident89Confident69 Ų6949.1 Ų49.142%0.42325%0.245SC..  trans-70.7128.3169.1660000108.9R134 D136R134-T138 PolarHBondContact N-O 2.96Å; R134-T138 VanDerWaalsContact N-O 3.17Å; D136-T138 VanDerWaalsContact CG-OG1 3.3Å; D136-T138 PolarHBondContact O-N 2.96Å; D136-T138 VanDerWaalsContact O-N 3.12Å; D136-T138 VanDerWaalsContact OD1-CB 3.3Å; D136-T138 WeakPolarHBondContact OD1-CB 3.45Å; D136-T138 WeakPolarHBondContact OD1-CG2 3.45Å; D136-T138 PolarHBondContact OD1-N 3.44Å; D136-T138 PolarHBondContact OD1-OG1 3.01Å; D136-T138 PolarHBondContact OD2-OG1 3.1Å
139S84.3Confident89Confident62 Ų6249.4 Ų49.443%0.43425%0.246SC..EExtended strand (participates in β ladder)trans-111125.8177.8-65.20000108.7D132 Q137D132-S139 WeakPolarHBondContact O-CA 3.28Å; Q137-S139 PolarHBondContact O-N 3.16Å
140S92.6Very high88.9Confident34 Ų3449.8 Ų49.824%0.23825%0.25CC..EExtended strand (participates in β ladder)trans-134136179.263.70000111.8D132 K142D132-S140 PolarHBondContact N-O 3.02Å; D132-S140 PolarHBondContact O-N 3.41Å; S140-K142 PolarHBondContact O-N 2.78Å; S140-K142 WeakPolarHBondContact OG-CE 3.35Å
141L96.5Very high89Confident2 Ų249.1 Ų49.11%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-68.5124.2174-176.275.9000108.6V62 Q65 A66 Y129 T336V62-L141 HydrophobicContact CG1-CB 4.2Å; V62-L141 HydrophobicContact CG1-CD1 3.52Å; V62-L141 HydrophobicContact CG1-CG 4.41Å; Q65-L141 HydrophobicContact CB-CD2 4.26Å; Q65-L141 HydrophobicContact CG-CD2 4.05Å; A66-L141 HydrophobicContact CB-CD1 4.35Å; A66-L141 HydrophobicContact CB-CD2 3.68Å; Y129-L141 VanDerWaalsContact CB-CD1 3.42Å; Y129-L141 HydrophobicContact CD1-CD1 4.1Å; Y129-L141 HydrophobicContact CD1-CD2 3.81Å; Y129-L141 HydrophobicContact CD1-CG 3.71Å; Y129-L141 HydrophobicContact CE1-CD2 4.1Å; Y129-L141 HydrophobicContact CE1-CG 4.45Å; Y129-L141 HydrophobicContact CG-CD1 3.83Å; Y129-L141 HydrophobicContact CG-CD2 4.14Å; Y129-L141 HydrophobicContact CG-CG 3.98Å; L141-T336 HydrophobicContact CD2-CG2 4.15Å; L141-T336 WeakPolarHBondContact O-CA 3.4Å
142K98.1Very high89.1Confident30 Ų3049 Ų4913%0.1325%0.249CC..EExtended strand (participates in β ladder)trans-126126.1178.8-64-63174.4-169.90111.5Y129 M130 D132 S140 I144 E335 T336 F337 A338 I403Y129-K142 CarbonylContact C-O 3.54Å; Y129-K142 VanDerWaalsContact CA-O 3.23Å; Y129-K142 WeakPolarHBondContact CA-O 3.44Å; M130-K142 PolarHBondContact N-O 3.49Å; M130-K142 PolarHBondContact O-N 3.39Å; D132-K142 HydrophobicContact CB-CB 4.49Å; D132-K142 HydrophobicContact CB-CG 3.75Å; S140-K142 PolarHBondContact O-N 2.78Å; S140-K142 WeakPolarHBondContact OG-CE 3.35Å; K142-I144 PolarHBondContact O-N 2.89Å; K142-E335 PolarHBondContact NZ-O 3.21Å; K142-T336 CarbonylContact C-O 3.51Å; K142-T336 VanDerWaalsContact CA-O 3.28Å; K142-T336 WeakPolarHBondContact CA-O 3.3Å; K142-F337 VanDerWaalsContact CD-O 3.31Å; K142-F337 WeakPolarHBondContact CD-O 3.42Å; K142-F337 PolarHBondContact NZ-O 3.5Å; K142-A338 HydrophobicContact CB-CB 4.46Å; K142-A338 HydrophobicContact CD-CB 4.47Å; K142-I403 HydrophobicContact CB-CD1 3.42Å; K142-I403 VanDerWaalsContact CB-CD1 3.42Å; K142-I403 HydrophobicContact CB-CG1 3.74Å; K142-I403 HydrophobicContact CG-CG1 4.44Å
143Q98.6Very high89.4Confident4 Ų449 Ų492%0.01925%0.249CC..EExtended strand (participates in β ladder)trans-70.7125.4179.5-171.2-177.951.800109.5S127 D128 Y129 T336 M400S127-Q143 PolarHBondContact OG-NE2 3.32Å; D128-Q143 CarbonylContact O-C 3.51Å; D128-Q143 WeakPolarHBondContact O-CA 3.45Å; Y129-Q143 HydrophobicContact CD1-CB 3.81Å; Y129-Q143 HydrophobicContact CD1-CG 4.28Å; Y129-Q143 HydrophobicContact CE1-CB 3.78Å; Y129-Q143 HydrophobicContact CE1-CG 4.04Å; Q143-T336 PolarHBondContact N-O 3Å; Q143-M400 WeakPolarHBondContact O-CE 3.48Å
144I97.8Very high89.9Confident23 Ų2345.5 Ų45.512%0.11823%0.232CC..EExtended strand (participates in β ladder)trans-77.3-51.4173.6-62.1-74.7000109.5D128 M130 K142 Q310 K366 I403 E427D128-I144 HydrophobicContact CB-CB 4.4Å; D128-I144 PolarHBondContact O-N 3.14Å; M130-I144 HydrophobicContact CB-CD1 4.09Å; M130-I144 HydrophobicContact CB-CG1 4.34Å; M130-I144 HydrophobicContact CE-CD1 4.45Å; M130-I144 HydrophobicContact CG-CD1 3.75Å; M130-I144 HydrophobicContact CG-CG1 3.92Å; M130-I144 HydrophobicContact SD-CD1 3.74Å; M130-I144 HydrophobicContact SD-CG1 4.48Å; K142-I144 PolarHBondContact O-N 2.89Å; I144-Q310 PolarHBondContact O-NE2 2.78Å; I144-K366 PolarHBondContact O-NZ 3.32Å; I144-I403 HydrophobicContact CD1-CD1 3.47Å; I144-I403 VanDerWaalsContact CD1-CD1 3.47Å; I144-I403 HydrophobicContact CG1-CD1 4.27Å; I144-E427 HydrophobicContact CG1-CG 4.21Å
145E98.2Very high91.2Very high22 Ų2239 Ų3910%0.10321%0.208CC..EExtended strand (participates in β ladder)trans-168.1170.8-177.562.8-174.218000110.4D128 K307D128-E145 HydrophobicContact CB-CG 4.34Å; D128-E145 PolarHBondContact N-O 3.29Å; E145-K307 HydrophobicContact CB-CD 4.49Å; E145-K307 WeakPolarHBondContact OE2-CE 3.29Å; E145-K307 IonicContact OE2-NZ 3.79Å; E145-K307 PolarHBondContact OE2-NZ 3.06Å
146I98.5Very high92.8Very high13 Ų1329.3 Ų29.37%0.06716%0.162CC..EExtended strand (participates in β ladder)trans-120.2125.8164.6-172.1163.5000109.1F73 V77 T148F73-I146 HydrophobicContact CB-CD1 3.86Å; F73-I146 HydrophobicContact CD1-CD1 4.07Å; F73-I146 HydrophobicContact CG-CD1 4.19Å; V77-I146 HydrophobicContact CG2-CD1 3.67Å; I146-T148 HydrophobicContact CG1-CG2 4.46Å
147N98.7Very high94.4Very high14 Ų1424.3 Ų24.38%0.07514%0.136CC..EExtended strand (participates in β ladder)trans-93.6107.4-179.5-66.1-119.2000108.1N125 R126 D128 A151N125-N147 CarbonylContact C-O 3.4Å; N125-N147 WeakPolarHBondContact CA-O 3.43Å; N125-N147 WeakPolarHBondContact CB-O 3.26Å; R126-N147 HydrophobicContact CB-CB 4.41Å; R126-N147 PolarHBondContact N-O 2.85Å; R126-N147 VanDerWaalsContact NH2-CG 3.3Å; R126-N147 PolarHBondContact NH2-ND2 2.54Å; R126-N147 PolarHBondContact NH2-OD1 3.06Å; R126-N147 VanDerWaalsContact NH2-OD1 3.14Å; R126-N147 PolarHBondContact O-N 3.19Å; R126-N147 PolarHBondContact O-ND2 3.16Å; D128-N147 PolarHBondContact OD2-ND2 2.92Å; N147-A151 HydrophobicContact CB-CB 4.4Å
148T98.8Very high96Very high4 Ų416.6 Ų16.63%0.02510%0.101CC..  trans-97.3-10.9-179.364.40000113.8V77 I146 P297 T301 G305V77-T148 HydrophobicContact CG1-CG2 3.84Å; V77-T148 HydrophobicContact CG2-CG2 4.1Å; I146-T148 HydrophobicContact CG1-CG2 4.46Å; T148-P297 WeakPolarHBondContact O-CB 3.17Å; T148-P297 WeakPolarHBondContact O-CG 3.37Å; T148-T301 VanDerWaalsContact CB-O 3.3Å; T148-T301 WeakPolarHBondContact CB-O 3.3Å; T148-T301 PolarHBondContact OG1-O 3.17Å; T148-G305 WeakPolarHBondContact OG1-CA 3.45Å
149I98.7Very high97.1Very high6 Ų615.4 Ų15.43%0.0319%0.091CC..SBendtrans-124.7142.1176.9-173.7162.9000110.7A151 F267 P297 E370I149-A151 PolarHBondContact O-N 2.89Å; I149-F267 HydrophobicContact CD1-CB 4.22Å; I149-F267 HydrophobicContact CG1-CB 4.14Å; I149-P297 HydrophobicContact CB-CG 3.75Å; I149-P297 HydrophobicContact CD1-CG 4.29Å; I149-P297 HydrophobicContact CG1-CG 3.97Å; I149-E370 HydrophobicContact CG2-CG 4.48Å
150A97.6Very high97.7Very high10 Ų1012.6 Ų12.68%0.0837%0.071CC..SBendtrans49.534.1172.700000115S152 F267 Y271A150-S152 PolarHBondContact O-N 3.44Å; A150-S152 PolarHBondContact O-OG 3.22Å; A150-F267 WeakPolarHBondContact CA-O 3.43Å; A150-Y271 HydrophobicContact CB-CD1 3.58Å; A150-Y271 HydrophobicContact CB-CE1 3.88Å; A150-Y271 HydrophobicContact CB-CG 4.35Å
151A97.9Very high98Very high4 Ų411.1 Ų11.13%0.0336%0.061CC..  trans-58.296178.900000110.9R126 N147 I149 F431R126-A151 HydrophobicContact CB-CB 4.03Å; N147-A151 HydrophobicContact CB-CB 4.4Å; I149-A151 PolarHBondContact O-N 2.89Å; A151-F431 HydrophobicContact CB-CE1 4.46Å
152S96.7Very high98.1Very high26 Ų2614.7 Ų14.718%0.1828%0.077CC..  trans-86.2171.9-169.4-66.40000113.2R126 A150 G154 R268 F431R126-S152 PolarHBondContact NH1-O 3.39Å; R126-S152 VanDerWaalsContact NH1-O 3.11Å; A150-S152 PolarHBondContact O-N 3.44Å; A150-S152 PolarHBondContact O-OG 3.22Å; S152-G154 VanDerWaalsContact C-N 3.33Å; S152-G154 PolarHBondContact O-N 3.42Å; S152-R268 PolarHBondContact OG-NH2 2.87Å; S152-F431 WeakPolarHBondContact O-CZ 3.36Å
153F97.9Very high98.1Very high10 Ų1013.3 Ų13.34%0.0447%0.071CC..  trans75.77.8172.6-57.3-69.5000116G155 L156 S157 N217 D220 L450 V463 A464 L470F153-G155 VanDerWaalsContact C-N 3.29Å; F153-G155 PolarHBondContact O-N 3Å; F153-L156 HydrophobicContact CD1-CD1 4.13Å; F153-L156 HydrophobicContact CE1-CD1 4.32Å; F153-S157 WeakPolarHBondContact O-CB 3.27Å; F153-S157 PolarHBondContact O-N 3.45Å; F153-S157 PolarHBondContact O-OG 3.04Å; F153-N217 WeakPolarHBondContact CE1-ND2 3.14Å; F153-D220 WeakPolarHBondContact CA-OD1 3.2Å; F153-D220 VanDerWaalsContact N-CG 3.34Å; F153-D220 PolarHBondContact N-OD1 2.7Å; F153-D220 PolarHBondContact N-OD2 3.3Å; F153-L450 HydrophobicContact CB-CD1 3.94Å; F153-L450 HydrophobicContact CB-CD2 3.78Å; F153-V463 HydrophobicContact CD2-CB 4.4Å; F153-V463 HydrophobicContact CE1-CB 4.03Å; F153-V463 HydrophobicContact CE1-CG1 3.75Å; F153-V463 HydrophobicContact CE2-CB 3.69Å; F153-V463 HydrophobicContact CE2-CG1 4.34Å; F153-V463 HydrophobicContact CE2-CG2 4.44Å; F153-V463 HydrophobicContact CZ-CB 3.49Å; F153-V463 VanDerWaalsContact CZ-CB 3.49Å; F153-V463 HydrophobicContact CZ-CG1 3.64Å; F153-A464 HydrophobicContact CE2-CB 4.36Å; F153-A464 HydrophobicContact CZ-CB 4.17Å; F153-L470 HydrophobicContact CB-CD2 4.14Å; F153-L470 HydrophobicContact CD1-CD2 3.9Å; F153-L470 HydrophobicContact CG-CD2 4.12Å
154G97.9Very high98.1Very high1 Ų113.2 Ų13.21%0.017%0.071CC..THydrogen-bonded Turntrans-67.6-28170.800000113.3S152 S158 P185 A186 D220S152-G154 VanDerWaalsContact C-N 3.33Å; S152-G154 PolarHBondContact O-N 3.42Å; G154-S158 PolarHBondContact O-OG 3.16Å; G154-P185 WeakPolarHBondContact O-CG 3.44Å; G154-A186 PolarHBondContact O-N 2.85Å; G154-A186 VanDerWaalsContact O-N 3.16Å; G154-D220 PolarHBondContact N-OD1 3.35Å
155G98.3Very high98.1Very high0 Ų013.4 Ų13.40%07%0.071CC..THydrogen-bonded Turntrans-69.2-61.1173.200000111.8F153 S157 S158 D220F153-G155 VanDerWaalsContact C-N 3.29Å; F153-G155 PolarHBondContact O-N 3Å; G155-S157 PolarHBondContact O-N 2.79Å; G155-S158 VanDerWaalsContact O-CB 3.26Å; G155-S158 WeakPolarHBondContact O-CB 3.3Å; G155-S158 PolarHBondContact O-N 3.31Å; G155-S158 VanDerWaalsContact O-N 3.09Å; G155-S158 PolarHBondContact O-OG 2.85Å; G155-D220 WeakPolarHBondContact CA-O 3.36Å; G155-D220 VanDerWaalsContact CA-OD1 3.23Å; G155-D220 WeakPolarHBondContact CA-OD1 3.35Å; G155-D220 PolarHBondContact N-OD1 3.46Å
156L98.3Very high98.1Very high0 Ų016.1 Ų16.10%08%0.083CC..G310 helixtrans-66.5-35.9-174.2-63.6178000113A49 F153 S158 Q159 T160 N217 F219 D220 Y223 L470A49-L156 HydrophobicContact CB-CD1 3.8Å; F153-L156 HydrophobicContact CD1-CD1 4.13Å; F153-L156 HydrophobicContact CE1-CD1 4.32Å; L156-S158 PolarHBondContact O-N 3.32Å; L156-S158 VanDerWaalsContact O-N 3.15Å; L156-Q159 PolarHBondContact O-N 2.96Å; L156-T160 PolarHBondContact O-N 3.17Å; L156-N217 WeakPolarHBondContact CD1-OD1 3.17Å; L156-F219 HydrophobicContact CD2-CB 4.41Å; L156-D220 HydrophobicContact CD1-CB 4.27Å; L156-D220 HydrophobicContact CG-CB 3.98Å; L156-D220 PolarHBondContact N-OD1 3.22Å; L156-D220 VanDerWaalsContact N-OD1 3.16Å; L156-Y223 HydrophobicContact CD2-CD2 4.42Å; L156-Y223 HydrophobicContact CD2-CE2 3.99Å; L156-L470 HydrophobicContact CB-CD1 3.73Å; L156-L470 HydrophobicContact CD1-CD1 4.18Å
157S97.9Very high98.1Very high1 Ų115.5 Ų15.51%0.0078%0.08CC..G310 helixtrans-66-12.3175.159.20000114F153 G155 Q159 T160 P161 N183 P185F153-S157 WeakPolarHBondContact O-CB 3.27Å; F153-S157 PolarHBondContact O-N 3.45Å; F153-S157 PolarHBondContact O-OG 3.04Å; G155-S157 PolarHBondContact O-N 2.79Å; S157-Q159 VanDerWaalsContact C-N 3.29Å; S157-T160 PolarHBondContact O-OG1 3.32Å; S157-P161 WeakPolarHBondContact O-CD 3.27Å; S157-N183 PolarHBondContact O-ND2 3.23Å; S157-P185 VanDerWaalsContact OG-CG 3.26Å; S157-P185 WeakPolarHBondContact OG-CG 3.31Å
158S98.1Very high98Very high14 Ų1414.9 Ų14.910%0.0988%0.077CC..G310 helixtrans-76.9-17.4171.8-53.70000112.8G154 G155 L156 N183 N184 P185 A186G154-S158 PolarHBondContact O-OG 3.16Å; G155-S158 VanDerWaalsContact O-CB 3.26Å; G155-S158 WeakPolarHBondContact O-CB 3.3Å; G155-S158 PolarHBondContact O-N 3.31Å; G155-S158 VanDerWaalsContact O-N 3.09Å; G155-S158 PolarHBondContact O-OG 2.85Å; L156-S158 PolarHBondContact O-N 3.32Å; L156-S158 VanDerWaalsContact O-N 3.15Å; S158-N183 VanDerWaalsContact CA-O 3.3Å; S158-N183 WeakPolarHBondContact CA-O 3.2Å; S158-N184 PolarHBondContact OG-OD1 3.18Å; S158-P185 VanDerWaalsContact OG-CD 3.29Å; S158-P185 WeakPolarHBondContact OG-CD 3.43Å; S158-A186 WeakPolarHBondContact OG-CB 3.29Å; S158-A186 PolarHBondContact OG-N 2.9Å
159Q97.9Very high97.9Very high43 Ų4320 Ų2020%0.20110%0.099CC..THydrogen-bonded Turntrans-108.1-26.1-175-53.7-52.8-47.400113V32 L156 S157 E162 Y223V32-Q159 HydrophobicContact CG2-CB 3.76Å; L156-Q159 PolarHBondContact O-N 2.96Å; S157-Q159 VanDerWaalsContact C-N 3.29Å; Q159-E162 PolarHBondContact O-N 3.24Å; Q159-Y223 HydrophobicContact CG-CD1 4.43Å; Q159-Y223 HydrophobicContact CG-CE1 3.71Å; Q159-Y223 HydrophobicContact CG-CE2 3.94Å; Q159-Y223 VanDerWaalsContact CG-CZ 3.45Å
160T97.3Very high97.7Very high4 Ų422.5 Ų22.53%0.02511%0.114CC..Hα-helixtrans-61.9-27.7-178.8510000115.4V32 L156 S157 E162 V163 H164 L470 N472V32-T160 HydrophobicContact CG1-CG2 4.02Å; V32-T160 HydrophobicContact CG2-CG2 4.13Å; L156-T160 PolarHBondContact O-N 3.17Å; S157-T160 PolarHBondContact O-OG1 3.32Å; T160-E162 VanDerWaalsContact C-N 3.31Å; T160-E162 PolarHBondContact O-N 3.49Å; T160-V163 WeakPolarHBondContact O-CB 3.5Å; T160-V163 PolarHBondContact O-N 3.43Å; T160-H164 PolarHBondContact O-N 2.82Å; T160-L470 HydrophobicContact CG2-CB 4.09Å; T160-L470 HydrophobicContact CG2-CD1 3.95Å; T160-N472 VanDerWaalsContact C-ND2 3.25Å; T160-N472 WeakPolarHBondContact CB-ND2 3.4Å; T160-N472 PolarHBondContact O-ND2 2.86Å; T160-N472 PolarHBondContact OG1-ND2 2.91Å; T160-N472 PolarHBondContact OG1-OD1 3.04Å
161P98.4Very high97.6Very high3 Ų322.6 Ų22.62%0.01912%0.115CC..Hα-helixtrans-57.5-41.9176.5-28.636.5000113.2S157 V163 H164 K165 I180 L181 N183S157-P161 WeakPolarHBondContact O-CD 3.27Å; P161-V163 VanDerWaalsContact C-N 3.27Å; P161-V163 PolarHBondContact O-N 3.17Å; P161-H164 PolarHBondContact O-N 3.46Å; P161-K165 WeakPolarHBondContact O-CB 3.26Å; P161-K165 VanDerWaalsContact O-CG 3.28Å; P161-K165 WeakPolarHBondContact O-CG 3.27Å; P161-K165 PolarHBondContact O-N 2.85Å; P161-I180 HydrophobicContact CB-CG2 4.03Å; P161-L181 WeakPolarHBondContact CB-O 3.4Å; P161-N183 HydrophobicContact CG-CB 3.92Å
162E98.1Very high97.5Very high76 Ų7625.4 Ų25.436%0.35515%0.145SC..Hα-helixtrans-65.5-32.6-179.4-66.6-51.3122.400112.2Q30 Q159 T160 K165 H166Q30-E162 HydrophobicContact CG-CB 4.11Å; Q159-E162 PolarHBondContact O-N 3.24Å; T160-E162 VanDerWaalsContact C-N 3.31Å; T160-E162 PolarHBondContact O-N 3.49Å; E162-K165 WeakPolarHBondContact OE1-CD 3.23Å; E162-K165 IonicContact OE1-NZ 3.98Å; E162-K165 PolarHBondContact OE1-NZ 3.48Å; E162-H166 WeakPolarHBondContact O-CB 3.32Å; E162-H166 PolarHBondContact O-N 3.46Å
163V98.4Very high97.3Very high1 Ų127.4 Ų27.41%0.00615%0.148CC..Hα-helixtrans-62.7-53.2173.4-175.70000110.3T26 A27 Q30 V32 F51 T160 P161 K165 H166 I167T26-V163 HydrophobicContact CG2-CB 4.42Å; T26-V163 HydrophobicContact CG2-CG1 4.4Å; T26-V163 HydrophobicContact CG2-CG2 4.28Å; A27-V163 HydrophobicContact CB-CG1 4.46Å; A27-V163 HydrophobicContact CB-CG2 4.24Å; Q30-V163 HydrophobicContact CB-CG2 4.27Å; Q30-V163 HydrophobicContact CG-CG2 4.21Å; V32-V163 HydrophobicContact CG2-CG2 4.05Å; F51-V163 HydrophobicContact CD2-CG1 4.21Å; F51-V163 HydrophobicContact CE2-CG1 3.64Å; F51-V163 HydrophobicContact CZ-CG1 4.26Å; T160-V163 WeakPolarHBondContact O-CB 3.5Å; T160-V163 PolarHBondContact O-N 3.43Å; P161-V163 VanDerWaalsContact C-N 3.27Å; P161-V163 PolarHBondContact O-N 3.17Å; V163-K165 PolarHBondContact O-N 3.05Å; V163-H166 PolarHBondContact O-N 3.31Å; V163-I167 WeakPolarHBondContact O-CG1 3.43Å; V163-I167 PolarHBondContact O-N 3.35Å
164H98.4Very high97.1Very high2 Ų231.6 Ų31.61%0.00917%0.17CC..Hα-helixtrans-68.3-36.2-178.8-75.2166.1000113.2T52 P55 T160 P161 H166 I167 L168 D471 N472T52-H164 PolarHBondContact O-NE2 3.16Å; T52-H164 PolarHBondContact OG1-CE1 2.84Å; T52-H164 PolarHBondContact OG1-NE2 3.43Å; P55-H164 HydrophobicContact CB-CB 4.32Å; P55-H164 WeakPolarHBondContact CB-ND1 3.47Å; P55-H164 HydrophobicContact CG-CB 4.15Å; T160-H164 PolarHBondContact O-N 2.82Å; P161-H164 PolarHBondContact O-N 3.46Å; H164-H166 VanDerWaalsContact C-N 3.31Å; H164-H166 PolarHBondContact O-N 2.99Å; H164-I167 PolarHBondContact O-N 2.9Å; H164-L168 WeakPolarHBondContact O-CB 3.36Å; H164-L168 VanDerWaalsContact O-CG 3.25Å; H164-L168 WeakPolarHBondContact O-CG 3.43Å; H164-L168 PolarHBondContact O-N 2.9Å; H164-D471 IonicContact CE1-OD1 3.96Å; H164-D471 PolarHBondContact CE1-OD1 2.88Å; H164-N472 WeakPolarHBondContact ND1-CB 3.48Å; H164-N472 PolarHBondContact ND1-ND2 3.31Å
165K98.3Very high96.9Very high28 Ų2838.5 Ų38.512%0.12220%0.203CC..Hα-helixtrans-57.5-46.1171-72.5174.6-171.8171.50110.9P161 E162 V163 K169 S177 I180 D182P161-K165 WeakPolarHBondContact O-CB 3.26Å; P161-K165 VanDerWaalsContact O-CG 3.28Å; P161-K165 WeakPolarHBondContact O-CG 3.27Å; P161-K165 PolarHBondContact O-N 2.85Å; E162-K165 WeakPolarHBondContact OE1-CD 3.23Å; E162-K165 IonicContact OE1-NZ 3.98Å; E162-K165 PolarHBondContact OE1-NZ 3.48Å; V163-K165 PolarHBondContact O-N 3.05Å; K165-K169 WeakPolarHBondContact O-CG 3.47Å; K165-K169 PolarHBondContact O-N 2.77Å; K165-K169 VanDerWaalsContact O-N 3.15Å; K165-S177 PolarHBondContact O-OG 3.42Å; K165-S177 VanDerWaalsContact O-OG 3.06Å; K165-I180 WeakPolarHBondContact CE-O 3.37Å; K165-I180 HydrophobicContact CG-CB 3.79Å; K165-I180 HydrophobicContact CG-CG1 4.38Å; K165-I180 HydrophobicContact CG-CG2 3.97Å; K165-D182 IonicContact NZ-OD1 3.29Å; K165-D182 PolarHBondContact NZ-OD1 2.76Å
166H98.1Very high96.7Very high78 Ų7839.2 Ų39.236%0.36121%0.206SC..Hα-helixtrans-65.1-46.4179.5-172.467.8000112T26 E162 V163 H164 L168 K169 V170T26-H166 HydrophobicContact CG2-CB 4.04Å; T26-H166 PolarHBondContact OG1-CD2 2.76Å; E162-H166 WeakPolarHBondContact O-CB 3.32Å; E162-H166 PolarHBondContact O-N 3.46Å; V163-H166 PolarHBondContact O-N 3.31Å; H164-H166 VanDerWaalsContact C-N 3.31Å; H164-H166 PolarHBondContact O-N 2.99Å; H166-L168 VanDerWaalsContact C-N 3.35Å; H166-L168 PolarHBondContact O-N 2.82Å; H166-K169 WeakPolarHBondContact O-CB 3.48Å; H166-K169 PolarHBondContact O-N 2.85Å; H166-K169 VanDerWaalsContact O-N 3.12Å; H166-V170 WeakPolarHBondContact O-CG2 3.24Å; H166-V170 PolarHBondContact O-N 2.99Å
167I97.4Very high96.6Very high0 Ų039.4 Ų39.40%021%0.207CC..Hα-helixtrans-63.3-39.9179.9-65.2-55000112.7L19 V22 A23 L53 F54 V163 H164 K169 V170 A171L19-I167 HydrophobicContact CD2-CG2 4.43Å; V22-I167 HydrophobicContact CB-CD1 4.04Å; V22-I167 HydrophobicContact CG1-CD1 3.8Å; A23-I167 VanDerWaalsContact CA-CD1 3.47Å; A23-I167 HydrophobicContact CB-CD1 3.59Å; A23-I167 HydrophobicContact CB-CG1 3.82Å; L53-I167 HydrophobicContact CD1-CG2 4.1Å; F54-I167 HydrophobicContact CD1-CG2 4.29Å; F54-I167 HydrophobicContact CE1-CG2 4.08Å; V163-I167 WeakPolarHBondContact O-CG1 3.43Å; V163-I167 PolarHBondContact O-N 3.35Å; H164-I167 PolarHBondContact O-N 2.9Å; I167-K169 VanDerWaalsContact C-N 3.33Å; I167-K169 PolarHBondContact O-N 3.03Å; I167-V170 PolarHBondContact O-N 2.73Å; I167-A171 VanDerWaalsContact O-CB 3.29Å; I167-A171 WeakPolarHBondContact O-CB 2.99Å; I167-A171 PolarHBondContact O-N 2.85Å
168L97.1Very high96.4Very high1 Ų146.4 Ų46.41%0.00524%0.24CC..Hα-helixtrans-63.1-39.7174-71.6171.6000111.8I5 F54 P55 H164 H166 A171 G172 R173 E176 I180I5-L168 HydrophobicContact CD1-CD2 3.6Å; F54-L168 HydrophobicContact CD1-CD2 4.27Å; P55-L168 HydrophobicContact CG-CD1 3.75Å; P55-L168 HydrophobicContact CG-CG 4.39Å; H164-L168 WeakPolarHBondContact O-CB 3.36Å; H164-L168 VanDerWaalsContact O-CG 3.25Å; H164-L168 WeakPolarHBondContact O-CG 3.43Å; H164-L168 PolarHBondContact O-N 2.9Å; H166-L168 VanDerWaalsContact C-N 3.35Å; H166-L168 PolarHBondContact O-N 2.82Å; L168-A171 CarbonylContact O-C 3.51Å; L168-A171 PolarHBondContact O-N 3.23Å; L168-G172 PolarHBondContact O-N 3.33Å; L168-R173 HydrophobicContact CB-CB 4.19Å; L168-R173 HydrophobicContact CD2-CB 3.95Å; L168-R173 HydrophobicContact CD2-CG 4.47Å; L168-R173 CarbonylContact O-C 3.5Å; L168-R173 WeakPolarHBondContact O-CA 3.19Å; L168-R173 WeakPolarHBondContact O-CB 3.38Å; L168-R173 PolarHBondContact O-N 3.08Å; L168-E176 HydrophobicContact CD1-CB 3.9Å; L168-E176 HydrophobicContact CD2-CB 4.02Å; L168-E176 HydrophobicContact CG-CB 4.45Å; L168-I180 HydrophobicContact CD1-CD1 4.07Å; L168-I180 HydrophobicContact CD1-CG1 3.75Å
169K96.3Very high96.2Very high113 Ų11349.2 Ų49.249%0.49125%0.248SC..Hα-helixtrans-62.3-46.4174.8-71.3170.5-175.7175.60112.4K165 H166 I167 A171 G172 L174 S177K165-K169 WeakPolarHBondContact O-CG 3.47Å; K165-K169 PolarHBondContact O-N 2.77Å; K165-K169 VanDerWaalsContact O-N 3.15Å; H166-K169 WeakPolarHBondContact O-CB 3.48Å; H166-K169 PolarHBondContact O-N 2.85Å; H166-K169 VanDerWaalsContact O-N 3.12Å; I167-K169 VanDerWaalsContact C-N 3.33Å; I167-K169 PolarHBondContact O-N 3.03Å; K169-A171 VanDerWaalsContact C-N 3.27Å; K169-A171 PolarHBondContact O-N 2.95Å; K169-G172 PolarHBondContact O-N 2.8Å; K169-L174 HydrophobicContact CG-CD1 4.11Å; K169-S177 WeakPolarHBondContact CE-OG 3.42Å
170V96Very high96.1Very high57 Ų5747.5 Ų47.535%0.34524%0.241SC..Hα-helixtrans-64.9-34.7178.7179.30000111L19 V22 H166 I167 G172L19-V170 HydrophobicContact CD2-CB 3.94Å; L19-V170 HydrophobicContact CD2-CG1 3.63Å; V22-V170 HydrophobicContact CG1-CG2 4.31Å; H166-V170 WeakPolarHBondContact O-CG2 3.24Å; H166-V170 PolarHBondContact O-N 2.99Å; I167-V170 PolarHBondContact O-N 2.73Å; V170-G172 PolarHBondContact O-N 2.79Å
171A95.2Very high96Very high13 Ų1349.9 Ų49.911%0.10725%0.253CS..THydrogen-bonded Turntrans-75.55.7173.800000114.4L19 F54 I167 L168 K169 R173L19-A171 HydrophobicContact CD1-CB 3.87Å; L19-A171 HydrophobicContact CD2-CB 4.12Å; F54-A171 HydrophobicContact CE1-CB 4.35Å; I167-A171 VanDerWaalsContact O-CB 3.29Å; I167-A171 WeakPolarHBondContact O-CB 2.99Å; I167-A171 PolarHBondContact O-N 2.85Å; L168-A171 CarbonylContact O-C 3.51Å; L168-A171 PolarHBondContact O-N 3.23Å; K169-A171 VanDerWaalsContact C-N 3.27Å; K169-A171 PolarHBondContact O-N 2.95Å; A171-R173 VanDerWaalsContact C-N 3.28Å; A171-R173 HydrophobicContact CB-CG 4.23Å; A171-R173 PolarHBondContact O-N 2.89Å
172G94.4Very high95.9Very high63 Ų6356 Ų5665%0.64929%0.285SS*.THydrogen-bonded Turntrans7217.3-178.300000114.7L168 K169 V170L168-G172 PolarHBondContact O-N 3.33Å; K169-G172 PolarHBondContact O-N 2.8Å; V170-G172 PolarHBondContact O-N 2.79Å
173R94.1Very high95.8Very high67 Ų6753 Ų5325%0.25327%0.272SS..  trans-104.160-176.8-57.5-58.3177.7-174.7-5.3111.4L168 A171 E175 E176 S177L168-R173 HydrophobicContact CB-CB 4.19Å; L168-R173 HydrophobicContact CD2-CB 3.95Å; L168-R173 HydrophobicContact CD2-CG 4.47Å; L168-R173 CarbonylContact O-C 3.5Å; L168-R173 WeakPolarHBondContact O-CA 3.19Å; L168-R173 WeakPolarHBondContact O-CB 3.38Å; L168-R173 PolarHBondContact O-N 3.08Å; A171-R173 VanDerWaalsContact C-N 3.28Å; A171-R173 HydrophobicContact CB-CG 4.23Å; A171-R173 PolarHBondContact O-N 2.89Å; R173-E175 PolarHBondContact O-N 3.26Å; R173-E176 HydrophobicContact CB-CB 4.12Å; R173-E176 HydrophobicContact CB-CG 4.33Å; R173-E176 WeakPolarHBondContact CB-OE2 3.35Å; R173-E176 PolarHBondContact O-N 2.89Å; R173-S177 PolarHBondContact O-N 3.5Å
174L93.8Very high95.8Very high98 Ų9856.9 Ų56.951%0.51329%0.292SS..Hα-helixtrans-64.5-38.1-174.9-177.161.2000112.7K169 S177 Q178K169-L174 HydrophobicContact CG-CD1 4.11Å; L174-S177 WeakPolarHBondContact O-CB 3.14Å; L174-S177 PolarHBondContact O-N 3.4Å; L174-Q178 WeakPolarHBondContact O-CG 3.33Å; L174-Q178 PolarHBondContact O-N 3.09Å
175E93.1Very high95.8Very high147 Ų14756.8 Ų56.869%0.68729%0.292SS*.Hα-helixtrans-66.7-45.5178.8-65-174176.500111.7R173 S177 Q178 R179R173-E175 PolarHBondContact O-N 3.26Å; E175-S177 VanDerWaalsContact C-N 3.29Å; E175-S177 PolarHBondContact O-N 3.3Å; E175-Q178 PolarHBondContact O-N 3.5Å; E175-R179 PolarHBondContact O-N 3.03Å
176E94.8Very high95.9Very high14 Ų1455.5 Ų55.57%0.06529%0.287CS..Hα-helixtrans-58.6-41.9171.8-69.670.7-165.600111.3S3 L168 R173 Q178 R179 L474S3-E176 PolarHBondContact OG-OE1 2.97Å; L168-E176 HydrophobicContact CD1-CB 3.9Å; L168-E176 HydrophobicContact CD2-CB 4.02Å; L168-E176 HydrophobicContact CG-CB 4.45Å; R173-E176 HydrophobicContact CB-CB 4.12Å; R173-E176 HydrophobicContact CB-CG 4.33Å; R173-E176 WeakPolarHBondContact CB-OE2 3.35Å; R173-E176 PolarHBondContact O-N 2.89Å; E176-Q178 PolarHBondContact O-N 3.26Å; E176-R179 PolarHBondContact O-N 3.27Å; E176-R179 IonicContact OE1-NH2 3.82Å; E176-L474 HydrophobicContact CB-CD1 4.33Å; E176-L474 HydrophobicContact CG-CD2 4.29Å
177S95.3Very high95.9Very high5 Ų552.3 Ų52.34%0.03527%0.274CS..Hα-helixtrans-58.6-35.3178.8172.80000112.2K165 K169 R173 L174 E175 R179K165-S177 PolarHBondContact O-OG 3.42Å; K165-S177 VanDerWaalsContact O-OG 3.06Å; K169-S177 WeakPolarHBondContact CE-OG 3.42Å; R173-S177 PolarHBondContact O-N 3.5Å; L174-S177 WeakPolarHBondContact O-CB 3.14Å; L174-S177 PolarHBondContact O-N 3.4Å; E175-S177 VanDerWaalsContact C-N 3.29Å; E175-S177 PolarHBondContact O-N 3.3Å; S177-R179 VanDerWaalsContact C-N 3.27Å
178Q94.2Very high95.9Very high147 Ų14752.3 Ų52.369%0.68727%0.274SS*.Hα-helixtrans-76-16.8179.5-69.4175.5-7.300112.9L174 E175 E176L174-Q178 WeakPolarHBondContact O-CG 3.33Å; L174-Q178 PolarHBondContact O-N 3.09Å; E175-Q178 PolarHBondContact O-N 3.5Å; E176-Q178 PolarHBondContact O-N 3.26Å
179R94.1Very high96Very high73 Ų7352.3 Ų52.328%0.27527%0.274SS..Hα-helixtrans-86.4-9.9176.8-69.2-170.2-75147.5-10.4113.8S3 E175 E176 S177 L181 L474 L475S3-R179 PolarHBondContact OG-NH2 2.86Å; E175-R179 PolarHBondContact O-N 3.03Å; E176-R179 PolarHBondContact O-N 3.27Å; E176-R179 IonicContact OE1-NH2 3.82Å; S177-R179 VanDerWaalsContact C-N 3.27Å; R179-L181 PolarHBondContact O-N 3.45Å; R179-L474 HydrophobicContact CB-CD1 3.88Å; R179-L475 PolarHBondContact NH1-O 2.94Å
180I95.7Very high96.1Very high8 Ų846.9 Ų46.94%0.04125%0.25CS..BIsolated β-bridgetrans-70.6121.7174.1-58.6-56.4000109.5P55 P161 K165 L168 L474P55-I180 HydrophobicContact CB-CD1 3.56Å; P55-I180 HydrophobicContact CG-CD1 3.42Å; P55-I180 VanDerWaalsContact CG-CD1 3.42Å; P55-I180 HydrophobicContact CG-CG1 4.37Å; P161-I180 HydrophobicContact CB-CG2 4.03Å; K165-I180 WeakPolarHBondContact CE-O 3.37Å; K165-I180 HydrophobicContact CG-CB 3.79Å; K165-I180 HydrophobicContact CG-CG1 4.38Å; K165-I180 HydrophobicContact CG-CG2 3.97Å; L168-I180 HydrophobicContact CD1-CD1 4.07Å; L168-I180 HydrophobicContact CD1-CG1 3.75Å; I180-L474 HydrophobicContact CD1-CB 4.26Å; I180-L474 HydrophobicContact CD1-CD1 3.88Å
181L94.8Very high96.3Very high54 Ų5448.7 Ų48.728%0.28325%0.251SS..PPolyproline II helixtrans-70.6142.5-176.7-56.8177.2000111.1F63 P161 R179 P473 L475F63-L181 HydrophobicContact CD1-CD1 4.27Å; F63-L181 HydrophobicContact CE1-CD1 3.39Å; F63-L181 HydrophobicContact CE2-CD1 4.32Å; F63-L181 HydrophobicContact CZ-CD1 3.43Å; F63-L181 VanDerWaalsContact CZ-CD1 3.43Å; P161-L181 WeakPolarHBondContact CB-O 3.4Å; R179-L181 PolarHBondContact O-N 3.45Å; L181-P473 HydrophobicContact CD1-CG 4.46Å; L181-L475 HydrophobicContact CD1-CD1 3.98Å; L181-L475 HydrophobicContact CD1-CD2 4.45Å; L181-L475 HydrophobicContact CD1-CG 4.2Å; L181-L475 HydrophobicContact CD2-CD1 3.99Å; L181-L475 HydrophobicContact CG-CD1 4.3Å; L181-L475 HydrophobicContact CG-CG 4.44Å
182D95.4Very high96.5Very high131 Ų13148.1 Ų48.170%0.70125%0.246SC*.PPolyproline II helixtrans-65.1140160-65.4-25.8000109.2K165K165-D182 IonicContact NZ-OD1 3.29Å; K165-D182 PolarHBondContact NZ-OD1 2.76Å
183N98Very high96.7Very high13 Ų1345.1 Ų45.17%0.0722%0.215CC..  trans-143.5127.2-178.6-170.642.4000108.4S157 S158 P161 P185 G448 H449S157-N183 PolarHBondContact O-ND2 3.23Å; S158-N183 VanDerWaalsContact CA-O 3.3Å; S158-N183 WeakPolarHBondContact CA-O 3.2Å; P161-N183 HydrophobicContact CG-CB 3.92Å; N183-P185 VanDerWaalsContact CG-CD 3.47Å; N183-P185 WeakPolarHBondContact ND2-CD 3.33Å; N183-P185 WeakPolarHBondContact OD1-CD 3.47Å; N183-G448 WeakPolarHBondContact OD1-CA 3.47Å; N183-H449 VanDerWaalsContact CG-CE1 3.5Å; N183-H449 PolarHBondContact ND2-O 3.08Å; N183-H449 PolarHBondContact OD1-CE1 3.31Å; N183-H449 PolarHBondContact OD1-N 3.32Å; N183-H449 PolarHBondContact OD1-ND1 3.44Å; N183-H449 VanDerWaalsContact OD1-ND1 3.13Å
184N98Very high96.9Very high82 Ų8242 Ų4244%0.43920%0.204SC..  trans-143.463.2175.8-166.2-11.8000112.6S158 A186 A187S158-N184 PolarHBondContact OG-OD1 3.18Å; N184-A186 PolarHBondContact O-N 3.46Å; N184-A187 HydrophobicContact CB-CB 4.46Å; N184-A187 PolarHBondContact O-N 3.17Å; N184-A187 WeakPolarHBondContact OD1-CB 3.23Å; N184-A187 PolarHBondContact OD1-N 2.76Å
185P98.6Very high97.1Very high0 Ų040.7 Ų40.70%019%0.194CC..Hα-helixtrans-61-30.4175.514.8-21.8000112.2G154 S157 S158 N183 A187 G188 L189 F431 V447G154-P185 WeakPolarHBondContact O-CG 3.44Å; S157-P185 VanDerWaalsContact OG-CG 3.26Å; S157-P185 WeakPolarHBondContact OG-CG 3.31Å; S158-P185 VanDerWaalsContact OG-CD 3.29Å; S158-P185 WeakPolarHBondContact OG-CD 3.43Å; N183-P185 VanDerWaalsContact CG-CD 3.47Å; N183-P185 WeakPolarHBondContact ND2-CD 3.33Å; N183-P185 WeakPolarHBondContact OD1-CD 3.47Å; P185-A187 VanDerWaalsContact C-N 3.31Å; P185-A187 PolarHBondContact O-N 2.64Å; P185-G188 PolarHBondContact O-N 2.82Å; P185-L189 WeakPolarHBondContact O-CB 3.46Å; P185-L189 WeakPolarHBondContact O-CG 3.41Å; P185-L189 PolarHBondContact O-N 3.34Å; P185-F431 HydrophobicContact CB-CB 4.39Å; P185-F431 HydrophobicContact CB-CD2 3.54Å; P185-F431 HydrophobicContact CB-CE2 3.96Å; P185-F431 HydrophobicContact CB-CG 4.09Å; P185-F431 HydrophobicContact CG-CD2 3.96Å; P185-F431 HydrophobicContact CG-CE2 4Å; P185-V447 WeakPolarHBondContact CA-O 3.31Å
186A98.6Very high97.4Very high2 Ų233.7 Ų33.72%0.01716%0.161CC..Hα-helixtrans-54.4-47176.400000112.3G154 S158 N184 A190 I224G154-A186 PolarHBondContact O-N 2.85Å; G154-A186 VanDerWaalsContact O-N 3.16Å; S158-A186 WeakPolarHBondContact OG-CB 3.29Å; S158-A186 PolarHBondContact OG-N 2.9Å; N184-A186 PolarHBondContact O-N 3.46Å; A186-A190 VanDerWaalsContact O-CB 3.24Å; A186-A190 WeakPolarHBondContact O-CB 3.48Å; A186-A190 PolarHBondContact O-N 2.87Å; A186-I224 HydrophobicContact CB-CG1 4.44Å
187A98.6Very high97.6Very high10 Ų1034.8 Ų34.88%0.08317%0.165CC..Hα-helixtrans-64.3-41.9178.700000112.5N184 P185 A190 R191 E227N184-A187 HydrophobicContact CB-CB 4.46Å; N184-A187 PolarHBondContact O-N 3.17Å; N184-A187 WeakPolarHBondContact OD1-CB 3.23Å; N184-A187 PolarHBondContact OD1-N 2.76Å; P185-A187 VanDerWaalsContact C-N 3.31Å; P185-A187 PolarHBondContact O-N 2.64Å; A187-A190 PolarHBondContact O-N 3.5Å; A187-R191 WeakPolarHBondContact O-CG 3.35Å; A187-R191 PolarHBondContact O-N 3.38Å; A187-E227 HydrophobicContact CB-CG 4.33Å
188G98.7Very high97.8Very high0 Ų039.5 Ų39.50%019%0.186CC..Hα-helixtrans-75.3-35.3-179.800000114.3P185 A190 R191 G192P185-G188 PolarHBondContact O-N 2.82Å; G188-A190 VanDerWaalsContact C-N 3.33Å; G188-R191 VanDerWaalsContact CA-CZ 3.42Å; G188-R191 WeakPolarHBondContact O-CB 3.38Å; G188-R191 PolarHBondContact O-N 3.39Å; G188-G192 PolarHBondContact O-N 3.25Å
189L98.9Very high98Very high1 Ų134.4 Ų34.41%0.00516%0.164CC..Hα-helixtrans-62-42.8169.7-64.7173.5000110.7L124 P185 R191 G192 L193 I224 F431 V447L124-L189 HydrophobicContact CB-CD2 4.03Å; L124-L189 HydrophobicContact CD1-CB 4.15Å; L124-L189 HydrophobicContact CD1-CD2 4.2Å; L124-L189 HydrophobicContact CD2-CD2 3.83Å; L124-L189 HydrophobicContact CG-CD2 4.23Å; P185-L189 WeakPolarHBondContact O-CB 3.46Å; P185-L189 WeakPolarHBondContact O-CG 3.41Å; P185-L189 PolarHBondContact O-N 3.34Å; L189-R191 VanDerWaalsContact C-N 3.34Å; L189-R191 PolarHBondContact O-N 2.88Å; L189-G192 PolarHBondContact O-N 3.19Å; L189-L193 PolarHBondContact O-N 2.71Å; L189-I224 HydrophobicContact CB-CD1 4.34Å; L189-I224 HydrophobicContact CD1-CD1 4Å; L189-F431 HydrophobicContact CD1-CD1 4.27Å; L189-F431 HydrophobicContact CD1-CE1 4.44Å; L189-F431 HydrophobicContact CD2-CB 4.49Å; L189-F431 HydrophobicContact CD2-CD1 4.32Å; L189-V447 HydrophobicContact CD2-CG2 4Å; L189-V447 HydrophobicContact CG-CG2 4.22Å
190A98.9Very high98.2Very high0 Ų032.5 Ų32.50%016%0.156CC..Hα-helixtrans-64.9-33.8174.700000112.9A186 A187 G188 G192 L193 A194 I224 E227 L228A186-A190 VanDerWaalsContact O-CB 3.24Å; A186-A190 WeakPolarHBondContact O-CB 3.48Å; A186-A190 PolarHBondContact O-N 2.87Å; A187-A190 PolarHBondContact O-N 3.5Å; G188-A190 VanDerWaalsContact C-N 3.33Å; A190-G192 VanDerWaalsContact C-N 3.33Å; A190-G192 PolarHBondContact O-N 2.96Å; A190-L193 PolarHBondContact O-N 3.35Å; A190-A194 VanDerWaalsContact O-CB 3.28Å; A190-A194 WeakPolarHBondContact O-CB 3.28Å; A190-A194 PolarHBondContact O-N 3.23Å; A190-I224 HydrophobicContact CB-CG2 4.11Å; A190-E227 HydrophobicContact CB-CB 3.34Å; A190-E227 HydrophobicContact CB-CG 4.31Å; A190-L228 HydrophobicContact CB-CD2 4.37Å; A190-L228 HydrophobicContact CB-CG 4.33Å
191R98.8Very high98.3Very high95 Ų9535 Ų3536%0.35818%0.184SC..Hα-helixtrans-60.2-41.7171.4-75.1-167.4-54.9-86.24.6111.9A187 G188 L189 A194 K195 M443 E445A187-R191 WeakPolarHBondContact O-CG 3.35Å; A187-R191 PolarHBondContact O-N 3.38Å; G188-R191 VanDerWaalsContact CA-CZ 3.42Å; G188-R191 WeakPolarHBondContact O-CB 3.38Å; G188-R191 PolarHBondContact O-N 3.39Å; L189-R191 VanDerWaalsContact C-N 3.34Å; L189-R191 PolarHBondContact O-N 2.88Å; R191-A194 PolarHBondContact O-N 3.15Å; R191-K195 WeakPolarHBondContact O-CB 3.44Å; R191-K195 PolarHBondContact O-N 3.13Å; R191-M443 HydrophobicContact CB-CE 3.98Å; R191-E445 IonicContact CZ-OE2 3.51Å; R191-E445 IonicContact NE-OE2 2.9Å; R191-E445 PolarHBondContact NE-OE2 3.26Å; R191-E445 IonicContact NH2-OE2 3.29Å; R191-E445 PolarHBondContact NH2-OE2 3.06Å
192G98.9Very high98.5Very high0 Ų033.6 Ų33.60%018%0.179CC..Hα-helixtrans-61.7-46.1175.600000112.8G188 L189 A190 K195 A196G188-G192 PolarHBondContact O-N 3.25Å; L189-G192 PolarHBondContact O-N 3.19Å; A190-G192 VanDerWaalsContact C-N 3.33Å; A190-G192 PolarHBondContact O-N 2.96Å; G192-K195 PolarHBondContact O-N 3.01Å; G192-A196 PolarHBondContact O-N 3.29Å
193L98.9Very high98.5Very high0 Ų035.5 Ų35.50%018%0.184CC..Hα-helixtrans-61.7-45.2175.1-71.7163.2000112.1L122 L124 L189 A190 A196 W197 V207 I224 L228 V264 Y266L122-L193 HydrophobicContact CD2-CD2 3.7Å; L122-L193 HydrophobicContact CD2-CG 4.27Å; L124-L193 HydrophobicContact CD1-CD1 4.11Å; L124-L193 HydrophobicContact CD1-CD2 4.34Å; L124-L193 HydrophobicContact CD1-CG 3.92Å; L189-L193 PolarHBondContact O-N 2.71Å; A190-L193 PolarHBondContact O-N 3.35Å; L193-A196 PolarHBondContact O-N 2.95Å; L193-W197 WeakPolarHBondContact O-CB 3.42Å; L193-W197 PolarHBondContact O-N 2.8Å; L193-V207 HydrophobicContact CD2-CG1 4.26Å; L193-I224 HydrophobicContact CD1-CG2 3.58Å; L193-L228 HydrophobicContact CB-CD1 4.36Å; L193-L228 HydrophobicContact CB-CD2 3.98Å; L193-L228 HydrophobicContact CD1-CD1 4.14Å; L193-V264 HydrophobicContact CD2-CG1 3.8Å; L193-Y266 HydrophobicContact CD1-CD1 3.85Å; L193-Y266 HydrophobicContact CD1-CE1 4.03Å; L193-Y266 HydrophobicContact CD1-CG 4.34Å; L193-Y266 HydrophobicContact CD2-CD1 4.25Å; L193-Y266 HydrophobicContact CD2-CD2 4.35Å; L193-Y266 HydrophobicContact CD2-CG 3.93Å
194A98.9Very high98.3Very high3 Ų345.5 Ų45.53%0.02522%0.221CC..Hα-helixtrans-61.5-45.1177.500000111.3A190 R191 A196 W197 E198 L228 I233A190-A194 VanDerWaalsContact O-CB 3.28Å; A190-A194 WeakPolarHBondContact O-CB 3.28Å; A190-A194 PolarHBondContact O-N 3.23Å; R191-A194 PolarHBondContact O-N 3.15Å; A194-A196 VanDerWaalsContact C-N 3.33Å; A194-A196 PolarHBondContact O-N 3.09Å; A194-W197 WeakPolarHBondContact O-CB 3.44Å; A194-W197 PolarHBondContact O-N 3.47Å; A194-W197 VanDerWaalsContact O-N 3.16Å; A194-E198 VanDerWaalsContact O-CG 3.3Å; A194-E198 WeakPolarHBondContact O-CG 3.38Å; A194-E198 PolarHBondContact O-N 3.37Å; A194-L228 HydrophobicContact CB-CD2 4.18Å; A194-I233 HydrophobicContact CB-CD1 3.51Å
195K98.9Very high98.3Very high69 Ų6941.6 Ų41.630%0.320%0.2SC..Hα-helixtrans-61.9-40.7178.5-174.858.1174178.60112.2R191 G192 E198 L199 V435 M443R191-K195 WeakPolarHBondContact O-CB 3.44Å; R191-K195 PolarHBondContact O-N 3.13Å; G192-K195 PolarHBondContact O-N 3.01Å; K195-E198 IonicContact NZ-OE2 3.12Å; K195-L199 HydrophobicContact CD-CD1 4.49Å; K195-L199 HydrophobicContact CG-CD1 4.27Å; K195-L199 WeakPolarHBondContact O-CD1 3.47Å; K195-L199 WeakPolarHBondContact O-CG 3.36Å; K195-L199 PolarHBondContact O-N 2.81Å; K195-L199 VanDerWaalsContact O-N 3.11Å; K195-V435 HydrophobicContact CB-CG2 4.16Å; K195-V435 HydrophobicContact CG-CB 4.27Å; K195-V435 HydrophobicContact CG-CG1 4.29Å; K195-V435 HydrophobicContact CG-CG2 4.19Å; K195-M443 HydrophobicContact CB-SD 4.39Å
196A98.9Very high98.4Very high0 Ų041.9 Ų41.90%020%0.202CC..Hα-helixtrans-65.5-40.7174.600000112.5I120 L122 G192 L193 A194 L199 Y200 V264 V294I120-A196 HydrophobicContact CG2-CB 4.5Å; L122-A196 HydrophobicContact CB-CB 4.16Å; L122-A196 HydrophobicContact CD2-CB 3.81Å; L122-A196 HydrophobicContact CG-CB 4.5Å; G192-A196 PolarHBondContact O-N 3.29Å; L193-A196 PolarHBondContact O-N 2.95Å; A194-A196 VanDerWaalsContact C-N 3.33Å; A194-A196 PolarHBondContact O-N 3.09Å; A196-L199 PolarHBondContact O-N 3.35Å; A196-Y200 PolarHBondContact O-N 2.9Å; A196-V264 HydrophobicContact CB-CG2 4.12Å; A196-V294 HydrophobicContact CB-CB 4.34Å; A196-V294 HydrophobicContact CB-CG1 4.03Å; A196-V294 HydrophobicContact CB-CG2 4.39Å
197W98.9Very high98.4Very high37 Ų3741.8 Ų41.814%0.1420%0.201CC..Hα-helixtrans-64.4-43175.9178.795.2000112.2L193 A194 L199 Y200 G201 A205 V207 I233 A263 V264L193-W197 WeakPolarHBondContact O-CB 3.42Å; L193-W197 PolarHBondContact O-N 2.8Å; A194-W197 WeakPolarHBondContact O-CB 3.44Å; A194-W197 PolarHBondContact O-N 3.47Å; A194-W197 VanDerWaalsContact O-N 3.16Å; W197-L199 PolarHBondContact O-N 3.05Å; W197-Y200 WeakPolarHBondContact O-CB 3.48Å; W197-Y200 PolarHBondContact O-N 2.96Å; W197-G201 PolarHBondContact O-N 3.21Å; W197-A205 PolarHBondContact NE1-O 3.2Å; W197-V207 HydrophobicContact CB-CG2 4.36Å; W197-V207 HydrophobicContact CG-CG2 4.41Å; W197-I233 HydrophobicContact CD2-CD1 4.17Å; W197-I233 HydrophobicContact CD2-CG1 4.14Å; W197-I233 HydrophobicContact CD2-CG2 4.05Å; W197-I233 HydrophobicContact CE3-CD1 3.86Å; W197-I233 HydrophobicContact CE3-CG1 3.95Å; W197-I233 HydrophobicContact CG-CD1 4.49Å; W197-I233 HydrophobicContact CG-CG2 3.96Å; W197-I233 HydrophobicContact CZ3-CD1 4.44Å; W197-I233 HydrophobicContact CZ3-CG1 4.16Å; W197-A263 HydrophobicContact CG-CB 4.34Å; W197-V264 HydrophobicContact CB-CG2 4.12Å
198E98.7Very high98.4Very high104 Ų10441.3 Ų41.349%0.48620%0.197SC..Hα-helixtrans-60-44.3175.4-73.7166.4-168.400111.7A194 K195 Y200 G201A194-E198 VanDerWaalsContact O-CG 3.3Å; A194-E198 WeakPolarHBondContact O-CG 3.38Å; A194-E198 PolarHBondContact O-N 3.37Å; K195-E198 IonicContact NZ-OE2 3.12Å; E198-Y200 VanDerWaalsContact C-N 3.31Å; E198-Y200 PolarHBondContact O-N 2.84Å; E198-G201 WeakPolarHBondContact O-CA 3.26Å; E198-G201 PolarHBondContact O-N 3.27Å
199L98.7Very high98.4Very high41 Ų4141.3 Ų41.322%0.21520%0.197CC..Hα-helixtrans-70.2-28.5178.5-67.7169.3000112.6I120 K195 A196 W197 G201 V435 Q437 V442I120-L199 HydrophobicContact CD1-CB 3.53Å; I120-L199 HydrophobicContact CG1-CB 4.13Å; I120-L199 HydrophobicContact CG2-CD1 4.31Å; K195-L199 HydrophobicContact CD-CD1 4.49Å; K195-L199 HydrophobicContact CG-CD1 4.27Å; K195-L199 WeakPolarHBondContact O-CD1 3.47Å; K195-L199 WeakPolarHBondContact O-CG 3.36Å; K195-L199 PolarHBondContact O-N 2.81Å; K195-L199 VanDerWaalsContact O-N 3.11Å; A196-L199 PolarHBondContact O-N 3.35Å; W197-L199 PolarHBondContact O-N 3.05Å; L199-G201 VanDerWaalsContact C-N 3.3Å; L199-V435 HydrophobicContact CD1-CG1 3.69Å; L199-Q437 HydrophobicContact CD1-CB 4.47Å; L199-V442 HydrophobicContact CD1-CG2 3.86Å
200Y98.6Very high98.4Very high32 Ų3241.3 Ų41.313%0.12520%0.197CC..Hα-helixtrans-64.5-36.9171.8-176.9-94.7000111.4A196 W197 E198 A205 E261 A263 Q292A196-Y200 PolarHBondContact O-N 2.9Å; W197-Y200 WeakPolarHBondContact O-CB 3.48Å; W197-Y200 PolarHBondContact O-N 2.96Å; E198-Y200 VanDerWaalsContact C-N 3.31Å; E198-Y200 PolarHBondContact O-N 2.84Å; Y200-A205 HydrophobicContact CD1-CB 4.25Å; Y200-A205 HydrophobicContact CE1-CB 3.95Å; Y200-E261 HydrophobicContact CE1-CG 4.4Å; Y200-E261 PolarHBondContact OH-OE1 3.42Å; Y200-A263 HydrophobicContact CD1-CB 3.32Å; Y200-A263 HydrophobicContact CD2-CB 4.37Å; Y200-A263 HydrophobicContact CE1-CB 3.86Å; Y200-A263 HydrophobicContact CG-CB 3.62Å; Y200-Q292 HydrophobicContact CE2-CB 4.19Å; Y200-Q292 WeakPolarHBondContact CE2-O 3.35Å
201G98Very high98.3Very high61 Ų6141.3 Ų41.363%0.62920%0.197SC*.  trans85.110.7162.700000116.7W197 E198 L199W197-G201 PolarHBondContact O-N 3.21Å; E198-G201 WeakPolarHBondContact O-CA 3.26Å; E198-G201 PolarHBondContact O-N 3.27Å; L199-G201 VanDerWaalsContact C-N 3.3Å
202S97.7Very high98.1Very high24 Ų2439.3 Ų39.317%0.16819%0.192CC..  trans-107.9109.7173.1179.50000111.3R204 A205 E261S202-R204 PolarHBondContact O-N 3.25Å; S202-A205 WeakPolarHBondContact O-CB 3.36Å; S202-A205 PolarHBondContact O-N 3.43Å; S202-A205 VanDerWaalsContact O-N 3.12Å; S202-E261 PolarHBondContact OG-OE2 3Å
203E95.7Very high97.9Very high172 Ų17245.5 Ų45.580%0.80422%0.221SC*.THydrogen-bonded Turntrans-63.7-20.8177.7-65.1-175.5170.200113.4
204R94.8Very high97.7Very high222 Ų22249 Ų4984%0.83824%0.242SC*.THydrogen-bonded Turntrans-85.8-14.6179.2-59.7-177.776.3154.42.7112.5S202S202-R204 PolarHBondContact O-N 3.25Å
205A98.5Very high97.4Very high0 Ų050.3 Ų50.30%025%0.247CC..  trans-80.9151.5-175.200000112W197 Y200 S202 E261 A263W197-A205 PolarHBondContact NE1-O 3.2Å; Y200-A205 HydrophobicContact CD1-CB 4.25Å; Y200-A205 HydrophobicContact CE1-CB 3.95Å; S202-A205 WeakPolarHBondContact O-CB 3.36Å; S202-A205 PolarHBondContact O-N 3.43Å; S202-A205 VanDerWaalsContact O-N 3.12Å; A205-E261 CarbonylContact C-O 3.51Å; A205-E261 WeakPolarHBondContact CA-O 3.32Å; A205-E261 HydrophobicContact CB-CB 4.05Å; A205-E261 HydrophobicContact CB-CG 3.85Å; A205-A263 HydrophobicContact CB-CB 3.65Å
206V98.9Very high97.3Very high7 Ų750 Ų504%0.04224%0.244CC..EExtended strand (participates in β ladder)trans-106.7157.8-177.2-54.40000112.5P234 V236 K260 E261 V262 A263V206-P234 WeakPolarHBondContact CA-O 3.39Å; V206-P234 HydrophobicContact CB-CG 4.47Å; V206-P234 HydrophobicContact CG1-CB 4.02Å; V206-P234 HydrophobicContact CG1-CG 3.95Å; V206-V236 HydrophobicContact CB-CG1 4.45Å; V206-V236 HydrophobicContact CB-CG2 4.43Å; V206-V236 HydrophobicContact CG1-CG1 4.4Å; V206-V236 HydrophobicContact CG2-CG1 4.22Å; V206-V236 HydrophobicContact CG2-CG2 3.61Å; V206-K260 HydrophobicContact CG1-CD 4.33Å; V206-E261 PolarHBondContact N-O 3.05Å; V206-V262 HydrophobicContact CG2-CG2 4.13Å; V206-A263 PolarHBondContact O-N 3.28Å
207V98.9Very high97.2Very high0 Ų050.9 Ų50.90%025%0.249CC..EExtended strand (participates in β ladder)trans-88.2112.8161.3177.60000108.4L193 W197 F209 L228 I233 P234 T235 V236 V264L193-V207 HydrophobicContact CD2-CG1 4.26Å; W197-V207 HydrophobicContact CB-CG2 4.36Å; W197-V207 HydrophobicContact CG-CG2 4.41Å; V207-F209 HydrophobicContact CG1-CD2 4.2Å; V207-F209 HydrophobicContact CG1-CE2 3.91Å; V207-L228 HydrophobicContact CB-CD1 4.3Å; V207-L228 HydrophobicContact CG1-CD1 4.09Å; V207-L228 HydrophobicContact CG2-CD1 4.38Å; V207-I233 HydrophobicContact CG2-CG2 3.66Å; V207-P234 PolarHBondContact N-O 3.1Å; V207-T235 HydrophobicContact CB-CG2 4.36Å; V207-T235 VanDerWaalsContact O-CA 3.24Å; V207-T235 WeakPolarHBondContact O-CA 3.42Å; V207-V236 PolarHBondContact O-N 2.81Å; V207-V264 HydrophobicContact CG1-CB 4.22Å; V207-V264 HydrophobicContact CG2-CB 4.18Å; V207-V264 HydrophobicContact CG2-CG2 4.28Å
208M98.9Very high97.1Very high0 Ų049.5 Ų49.50%024%0.244CC..EExtended strand (participates in β ladder)trans-92.6116.7178.1-179.4174.578.600110.7L210 V236 K238 V243 L255 V257 V262 V264 V265 Y266 M288M208-L210 PolarHBondContact O-N 3.48Å; M208-V236 CarbonylContact C-O 3.55Å; M208-V236 WeakPolarHBondContact CA-O 3.19Å; M208-V236 HydrophobicContact CB-CG2 3.85Å; M208-V236 HydrophobicContact CG-CG2 3.93Å; M208-K238 HydrophobicContact CG-CB 4.08Å; M208-K238 HydrophobicContact CG-CG 4.01Å; M208-K238 HydrophobicContact SD-CB 3.76Å; M208-K238 HydrophobicContact SD-CG 3.68Å; M208-V243 HydrophobicContact CE-CG2 3.98Å; M208-V243 HydrophobicContact SD-CG2 3.94Å; M208-L255 HydrophobicContact CE-CD2 4.39Å; M208-V257 HydrophobicContact SD-CB 4.4Å; M208-V257 HydrophobicContact SD-CG2 3.93Å; M208-V262 HydrophobicContact CB-CG1 3.67Å; M208-V262 HydrophobicContact CB-CG2 4.35Å; M208-V262 HydrophobicContact SD-CG2 4.41Å; M208-V264 PolarHBondContact N-O 2.8Å; M208-V265 HydrophobicContact CE-CB 4.48Å; M208-V265 HydrophobicContact CE-CG1 3.92Å; M208-V265 HydrophobicContact CE-CG2 3.99Å; M208-Y266 PolarHBondContact O-N 3.18Å; M208-M288 HydrophobicContact CE-SD 3.75Å
209F98.9Very high97.1Very high0 Ų046.4 Ų46.40%023%0.229CC..EExtended strand (participates in β ladder)trans-81.9112.2167.2-75.8-119.5000108.4V207 V211 H221 I224 E225 L228 T235 V236 R237 K238 Y266 R268V207-F209 HydrophobicContact CG1-CD2 4.2Å; V207-F209 HydrophobicContact CG1-CE2 3.91Å; F209-V211 HydrophobicContact CB-CG1 3.95Å; F209-V211 PolarHBondContact O-N 2.95Å; F209-H221 HydrophobicContact CD1-CB 4.23Å; F209-H221 HydrophobicContact CE1-CB 4.17Å; F209-I224 HydrophobicContact CZ-CB 4.31Å; F209-I224 HydrophobicContact CZ-CG2 4.03Å; F209-E225 HydrophobicContact CD1-CG 4.46Å; F209-E225 HydrophobicContact CD2-CG 4.16Å; F209-E225 HydrophobicContact CE1-CG 3.92Å; F209-E225 HydrophobicContact CE2-CG 3.62Å; F209-E225 HydrophobicContact CZ-CG 3.48Å; F209-E225 VanDerWaalsContact CZ-CG 3.48Å; F209-L228 HydrophobicContact CE2-CD1 4.07Å; F209-L228 HydrophobicContact CZ-CD1 4.34Å; F209-T235 HydrophobicContact CE2-CG2 4.12Å; F209-V236 PolarHBondContact N-O 3.09Å; F209-R237 HydrophobicContact CB-CG 4.31Å; F209-R237 WeakPolarHBondContact O-CA 3.41Å; F209-K238 PolarHBondContact O-N 3.36Å; F209-Y266 WeakPolarHBondContact CA-O 3.5Å; F209-Y266 AromaticContact CD1-CD1 3.58Å; F209-Y266 HydrophobicContact CD1-CD1 3.58Å; F209-Y266 AromaticContact CD1-CE1 3.98Å; F209-Y266 HydrophobicContact CD1-CE1 3.98Å; F209-Y266 HydrophobicContact CD2-CD1 4.33Å; F209-Y266 AromaticContact CE1-CD1 3.34Å; F209-Y266 HydrophobicContact CE1-CD1 3.34Å; F209-Y266 AromaticContact CE1-CE1 3.46Å; F209-Y266 HydrophobicContact CE1-CE1 3.46Å; F209-Y266 VanDerWaalsContact CE1-CE1 3.46Å; F209-Y266 HydrophobicContact CE2-CD1 4.09Å; F209-Y266 HydrophobicContact CG-CD1 4.08Å; F209-Y266 AromaticContact CZ-CD1 3.6Å; F209-Y266 HydrophobicContact CZ-CD1 3.6Å; F209-Y266 AromaticContact CZ-CE1 3.95Å; F209-Y266 HydrophobicContact CZ-CE1 3.95Å; F209-R268 HydrophobicContact CD1-CG 4.21Å
210L98.8Very high97.1Very high0 Ų044.5 Ų44.50%022%0.219CC..EExtended strand (participates in β ladder)trans-82.9110171.9-170.177.9000109M208 K238 F240 V243 Y266 F267 R268 N269 M288M208-L210 PolarHBondContact O-N 3.48Å; L210-K238 CarbonylContact C-O 3.47Å; L210-K238 VanDerWaalsContact CA-O 3.29Å; L210-K238 WeakPolarHBondContact CA-O 3.32Å; L210-F240 HydrophobicContact CD2-CD1 4.38Å; L210-F240 HydrophobicContact CD2-CE1 3.85Å; L210-F240 HydrophobicContact CD2-CE2 4.11Å; L210-F240 HydrophobicContact CD2-CZ 3.7Å; L210-V243 HydrophobicContact CD1-CG2 4.1Å; L210-Y266 PolarHBondContact N-O 3.3Å; L210-F267 HydrophobicContact CB-CD1 4.38Å; L210-F267 HydrophobicContact CD2-CD1 3.46Å; L210-F267 VanDerWaalsContact CD2-CD1 3.46Å; L210-F267 HydrophobicContact CD2-CE1 3.49Å; L210-F267 VanDerWaalsContact CD2-CE1 3.49Å; L210-R268 CarbonylContact O-C 3.56Å; L210-R268 VanDerWaalsContact O-C 3.3Å; L210-R268 VanDerWaalsContact O-CA 3.29Å; L210-R268 WeakPolarHBondContact O-CA 3.39Å; L210-R268 WeakPolarHBondContact O-CB 3.44Å; L210-R268 PolarHBondContact O-N 2.63Å; L210-N269 PolarHBondContact O-N 3.05Å; L210-M288 HydrophobicContact CD1-CE 4.43Å; L210-M288 HydrophobicContact CD1-SD 4.31Å; L210-M288 HydrophobicContact CD2-CE 3.74Å; L210-M288 HydrophobicContact CD2-SD 4.36Å
211V98.1Very high97.1Very high1 Ų143.7 Ų43.71%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-117.3160-164.8-66.60000112.4F209 R237 K238 R239 R268 N269F209-V211 HydrophobicContact CB-CG1 3.95Å; F209-V211 PolarHBondContact O-N 2.95Å; V211-R237 HydrophobicContact CG2-CB 4.22Å; V211-K238 WeakPolarHBondContact CG2-O 3.45Å; V211-K238 PolarHBondContact N-O 3.29Å; V211-R239 HydrophobicContact CG2-CG 4.31Å; V211-R268 HydrophobicContact CG1-CB 4.38Å; V211-N269 PolarHBondContact O-ND2 2.99Å
212E94.7Very high97.1Very high53 Ų5345.2 Ų45.225%0.24820%0.203CC..  trans-70.2162.1174.1-68.3170.7171.900111.9V214 Q215 N269 Y271E212-V214 VanDerWaalsContact C-N 3.34Å; E212-Q215 WeakPolarHBondContact O-CG 3.48Å; E212-Q215 PolarHBondContact O-NE2 3.37Å; E212-N269 WeakPolarHBondContact CA-ND2 3.14Å; E212-N269 HydrophobicContact CG-CB 3.87Å; E212-Y271 VanDerWaalsContact OE1-CE1 3.3Å; E212-Y271 WeakPolarHBondContact OE1-CE1 3.28Å; E212-Y271 VanDerWaalsContact OE1-CZ 3.23Å; E212-Y271 PolarHBondContact OE1-OH 3.32Å
213E93Very high97.2Very high130 Ų13046.7 Ų46.761%0.60721%0.206SC*.SBendtrans-65-41.3170.6-176.1177.7-173.500111.6N41N41-E213 VanDerWaalsContact CG-O 3.27Å; N41-E213 PolarHBondContact ND2-O 2.79Å; N41-E213 PolarHBondContact OD1-O 2.86Å
214V94.7Very high97.3Very high74 Ų7438.5 Ų38.545%0.44817%0.168SC..SBendtrans-99.6105.1-178.2177.10000108.7P40 E212 R216P40-V214 HydrophobicContact CB-CG1 3.6Å; P40-V214 HydrophobicContact CG-CG1 4.1Å; E212-V214 VanDerWaalsContact C-N 3.34Å; V214-R216 HydrophobicContact CG1-CG 4.19Å; V214-R216 PolarHBondContact O-N 2.98Å
215Q94.4Very high97.5Very high30 Ų3028 Ų2814%0.1413%0.128CC..  trans-107.753.8-169.6-62.8-175.436.200113.3R35 P40 N41 E212 N217 I218R35-Q215 WeakPolarHBondContact CD-O 3.35Å; P40-Q215 CarbonylContact O-C 3.59Å; P40-Q215 PolarHBondContact O-N 2.8Å; N41-Q215 PolarHBondContact OD1-N 3.11Å; E212-Q215 WeakPolarHBondContact O-CG 3.48Å; E212-Q215 PolarHBondContact O-NE2 3.37Å; Q215-N217 PolarHBondContact O-N 3.42Å; Q215-I218 HydrophobicContact CB-CB 4.29Å; Q215-I218 WeakPolarHBondContact O-CB 3.43Å; Q215-I218 PolarHBondContact O-N 2.84Å
216R95.8Very high97.5Very high61 Ų6129.9 Ų29.923%0.2314%0.141CC..THydrogen-bonded Turntrans-60.4-36179.4-70.9-175.763.9-140.1-6113.2M34 R35 P40 V214 I218M34-R216 HydrophobicContact CE-CB 3.9Å; R35-R216 PolarHBondContact N-O 3.5Å; R35-R216 PolarHBondContact O-NE 3.13Å; P40-R216 HydrophobicContact CB-CG 3.42Å; P40-R216 VanDerWaalsContact CB-CG 3.42Å; P40-R216 PolarHBondContact O-N 3.08Å; V214-R216 HydrophobicContact CG1-CG 4.19Å; V214-R216 PolarHBondContact O-N 2.98Å; R216-I218 VanDerWaalsContact C-N 3.3Å; R216-I218 PolarHBondContact O-N 2.91Å
217N96.3Very high97.5Very high20 Ų2030.8 Ų30.811%0.10715%0.145CC..THydrogen-bonded Turntrans-91.425-179.3-160.731.7000113.2F153 L156 Q215 F219 D220 H221F153-N217 WeakPolarHBondContact CE1-ND2 3.14Å; L156-N217 WeakPolarHBondContact CD1-OD1 3.17Å; Q215-N217 PolarHBondContact O-N 3.42Å; N217-F219 PolarHBondContact O-N 2.8Å; N217-D220 WeakPolarHBondContact ND2-CB 3.41Å; N217-D220 WeakPolarHBondContact O-CB 3.38Å; N217-D220 PolarHBondContact O-N 3.14Å; N217-D220 WeakPolarHBondContact OD1-CB 3.45Å; N217-H221 PolarHBondContact O-CD2 3.19Å; N217-H221 VanDerWaalsContact O-CD2 3.32Å
218I97.9Very high97.5Very high7 Ų730.8 Ų30.84%0.03615%0.145CC..Hα-helixtrans-56.4-36.1-175.8-174164.4000113.2R35 Q215 R216 D220 H221 R222R35-I218 HydrophobicContact CG-CG2 4Å; Q215-I218 HydrophobicContact CB-CB 4.29Å; Q215-I218 WeakPolarHBondContact O-CB 3.43Å; Q215-I218 PolarHBondContact O-N 2.84Å; R216-I218 VanDerWaalsContact C-N 3.3Å; R216-I218 PolarHBondContact O-N 2.91Å; I218-D220 VanDerWaalsContact C-N 3.29Å; I218-D220 PolarHBondContact O-N 2.97Å; I218-H221 WeakPolarHBondContact O-CB 3.2Å; I218-H221 PolarHBondContact O-N 3.11Å; I218-R222 HydrophobicContact CG1-CG 4.1Å; I218-R222 WeakPolarHBondContact O-CG 3.36Å; I218-R222 PolarHBondContact O-N 3.5Å
219F98.3Very high97.5Very high40 Ų4036.2 Ų36.218%0.17517%0.166CC..Hα-helixtrans-64.9-34.3-176.1-62.3-75.1000112.2L33 R35 V46 L156 N217 H221 R222 Y223L33-F219 HydrophobicContact CB-CB 4.36Å; L33-F219 HydrophobicContact CB-CD1 4.39Å; L33-F219 HydrophobicContact CB-CD2 3.68Å; L33-F219 HydrophobicContact CB-CE2 4.07Å; L33-F219 HydrophobicContact CB-CG 3.88Å; L33-F219 HydrophobicContact CD1-CE1 4.46Å; L33-F219 WeakPolarHBondContact O-CD2 3.38Å; R35-F219 HydrophobicContact CG-CE2 3.94Å; V46-F219 HydrophobicContact CB-CE2 4.33Å; V46-F219 HydrophobicContact CG1-CE2 3.53Å; V46-F219 HydrophobicContact CG1-CZ 3.56Å; L156-F219 HydrophobicContact CD2-CB 4.41Å; N217-F219 PolarHBondContact O-N 2.8Å; F219-H221 PolarHBondContact O-N 3.22Å; F219-R222 PolarHBondContact O-N 3.23Å; F219-R222 VanDerWaalsContact O-N 3.12Å; F219-Y223 WeakPolarHBondContact O-CD2 3.43Å; F219-Y223 PolarHBondContact O-N 3.43Å; F219-Y223 VanDerWaalsContact O-N 3.15Å
220D98.5Very high97.4Very high0 Ų042.8 Ų42.80%019%0.194CC..Hα-helixtrans-56.4-40.3170.918061.6000112.2F153 G154 G155 L156 N217 I218 R268F153-D220 WeakPolarHBondContact CA-OD1 3.2Å; F153-D220 VanDerWaalsContact N-CG 3.34Å; F153-D220 PolarHBondContact N-OD1 2.7Å; F153-D220 PolarHBondContact N-OD2 3.3Å; G154-D220 PolarHBondContact N-OD1 3.35Å; G155-D220 WeakPolarHBondContact CA-O 3.36Å; G155-D220 VanDerWaalsContact CA-OD1 3.23Å; G155-D220 WeakPolarHBondContact CA-OD1 3.35Å; G155-D220 PolarHBondContact N-OD1 3.46Å; L156-D220 HydrophobicContact CD1-CB 4.27Å; L156-D220 HydrophobicContact CG-CB 3.98Å; L156-D220 PolarHBondContact N-OD1 3.22Å; L156-D220 VanDerWaalsContact N-OD1 3.16Å; N217-D220 WeakPolarHBondContact ND2-CB 3.41Å; N217-D220 WeakPolarHBondContact O-CB 3.38Å; N217-D220 PolarHBondContact O-N 3.14Å; N217-D220 WeakPolarHBondContact OD1-CB 3.45Å; I218-D220 VanDerWaalsContact C-N 3.29Å; I218-D220 PolarHBondContact O-N 2.97Å; D220-R268 IonicContact OD2-CZ 3.7Å; D220-R268 IonicContact OD2-NH1 2.67Å; D220-R268 PolarHBondContact OD2-NH1 2.82Å; D220-R268 IonicContact OD2-NH2 3.99Å; D220-R268 PolarHBondContact OD2-NH2 3.22Å
221H98.3Very high97.4Very high15 Ų1547.1 Ų47.17%0.06921%0.211CC..Hα-helixtrans-73.2-39178.1-54.6-162.7000110.2F209 N217 I218 F219 Y223 I224 E225 R237 R268F209-H221 HydrophobicContact CD1-CB 4.23Å; F209-H221 HydrophobicContact CE1-CB 4.17Å; N217-H221 PolarHBondContact O-CD2 3.19Å; N217-H221 VanDerWaalsContact O-CD2 3.32Å; I218-H221 WeakPolarHBondContact O-CB 3.2Å; I218-H221 PolarHBondContact O-N 3.11Å; F219-H221 PolarHBondContact O-N 3.22Å; H221-Y223 VanDerWaalsContact C-N 3.27Å; H221-Y223 PolarHBondContact O-N 3.4Å; H221-I224 WeakPolarHBondContact O-CB 3.19Å; H221-I224 PolarHBondContact O-N 3.03Å; H221-E225 PolarHBondContact O-N 3.29Å; H221-R237 VanDerWaalsContact CB-NH1 3.25Å; H221-R237 PolarHBondContact ND1-NH1 2.92Å; H221-R237 PolarHBondContact ND1-NH2 3.47Å; H221-R237 VanDerWaalsContact ND1-NH2 3.16Å; H221-R268 PolarHBondContact CD2-NH1 3.32Å; H221-R268 PolarHBondContact CD2-NH2 2.97Å; H221-R268 WeakPolarHBondContact CE1-CB 3.41Å; H221-R268 PolarHBondContact NE2-NE 2.84Å; H221-R268 PolarHBondContact NE2-NH2 3.41Å
222R98.4Very high97.4Very high93 Ų9354 Ų5435%0.35125%0.247SC..Hα-helixtrans-63.4-29.1-177.8-69.9-61.9-169.9-179.49.7113.2I218 F219 I224 E225 S226I218-R222 HydrophobicContact CG1-CG 4.1Å; I218-R222 WeakPolarHBondContact O-CG 3.36Å; I218-R222 PolarHBondContact O-N 3.5Å; F219-R222 PolarHBondContact O-N 3.23Å; F219-R222 VanDerWaalsContact O-N 3.12Å; R222-I224 VanDerWaalsContact C-N 3.34Å; R222-E225 IonicContact CZ-OE2 3.24Å; R222-E225 IonicContact NE-OE1 2.88Å; R222-E225 IonicContact NH1-OE1 3.87Å; R222-E225 IonicContact NH1-OE2 2.7Å; R222-E225 PolarHBondContact NH1-OE2 3.2Å; R222-E225 PolarHBondContact O-N 3.36Å; R222-S226 VanDerWaalsContact O-CB 3.22Å; R222-S226 WeakPolarHBondContact O-CB 3.24Å; R222-S226 PolarHBondContact O-N 3.09Å
223Y98.6Very high97.6Very high55 Ų5551.7 Ų51.722%0.21624%0.237CC..Hα-helixtrans-62.8-41.1171.4-77.9-69.6000112.1Q30 G31 L156 Q159 F219 H221 S226 E227Q30-Y223 PolarHBondContact O-OH 3.35Å; G31-Y223 VanDerWaalsContact C-OH 3.32Å; G31-Y223 WeakPolarHBondContact CA-OH 3.48Å; G31-Y223 PolarHBondContact O-OH 3.19Å; L156-Y223 HydrophobicContact CD2-CD2 4.42Å; L156-Y223 HydrophobicContact CD2-CE2 3.99Å; Q159-Y223 HydrophobicContact CG-CD1 4.43Å; Q159-Y223 HydrophobicContact CG-CE1 3.71Å; Q159-Y223 HydrophobicContact CG-CE2 3.94Å; Q159-Y223 VanDerWaalsContact CG-CZ 3.45Å; F219-Y223 WeakPolarHBondContact O-CD2 3.43Å; F219-Y223 PolarHBondContact O-N 3.43Å; F219-Y223 VanDerWaalsContact O-N 3.15Å; H221-Y223 VanDerWaalsContact C-N 3.27Å; H221-Y223 PolarHBondContact O-N 3.4Å; Y223-S226 PolarHBondContact O-N 3.45Å; Y223-E227 WeakPolarHBondContact O-CG 3.3Å; Y223-E227 PolarHBondContact O-N 3.38Å; Y223-E227 VanDerWaalsContact O-N 3.15Å
224I98.8Very high97.8Very high1 Ų147.9 Ų47.91%0.00522%0.223CC..Hα-helixtrans-68.9-42.7175.4-56.7174.8000110.3A186 L189 A190 L193 F209 H221 R222 S226 E227 L228 Y266A186-I224 HydrophobicContact CB-CG1 4.44Å; L189-I224 HydrophobicContact CB-CD1 4.34Å; L189-I224 HydrophobicContact CD1-CD1 4Å; A190-I224 HydrophobicContact CB-CG2 4.11Å; L193-I224 HydrophobicContact CD1-CG2 3.58Å; F209-I224 HydrophobicContact CZ-CB 4.31Å; F209-I224 HydrophobicContact CZ-CG2 4.03Å; H221-I224 WeakPolarHBondContact O-CB 3.19Å; H221-I224 PolarHBondContact O-N 3.03Å; R222-I224 VanDerWaalsContact C-N 3.34Å; I224-S226 VanDerWaalsContact C-N 3.34Å; I224-S226 PolarHBondContact O-N 3.06Å; I224-E227 PolarHBondContact O-N 3.4Å; I224-L228 PolarHBondContact O-N 3.41Å; I224-L228 VanDerWaalsContact O-N 3.08Å; I224-Y266 HydrophobicContact CD1-CE1 4.18Å
225E98.7Very high98Very high0 Ų045.5 Ų45.50%021%0.209CC..Hα-helixtrans-61.1-42.3175.4-66.4179.9-126.400112.1F209 H221 R222 E227 L228 W229 T235 R237F209-E225 HydrophobicContact CD1-CG 4.46Å; F209-E225 HydrophobicContact CD2-CG 4.16Å; F209-E225 HydrophobicContact CE1-CG 3.92Å; F209-E225 HydrophobicContact CE2-CG 3.62Å; F209-E225 HydrophobicContact CZ-CG 3.48Å; F209-E225 VanDerWaalsContact CZ-CG 3.48Å; H221-E225 PolarHBondContact O-N 3.29Å; R222-E225 IonicContact CZ-OE2 3.24Å; R222-E225 IonicContact NE-OE1 2.88Å; R222-E225 IonicContact NH1-OE1 3.87Å; R222-E225 IonicContact NH1-OE2 2.7Å; R222-E225 PolarHBondContact NH1-OE2 3.2Å; R222-E225 PolarHBondContact O-N 3.36Å; E225-E227 VanDerWaalsContact C-N 3.3Å; E225-E227 PolarHBondContact O-N 3.29Å; E225-L228 CarbonylContact O-C 3.43Å; E225-L228 WeakPolarHBondContact O-CA 3.1Å; E225-L228 WeakPolarHBondContact O-CB 3.45Å; E225-L228 PolarHBondContact O-N 3.11Å; E225-W229 HydrophobicContact CB-CD2 4.44Å; E225-W229 HydrophobicContact CB-CH2 4.11Å; E225-W229 HydrophobicContact CB-CZ2 3.71Å; E225-W229 PolarHBondContact O-N 3.37Å; E225-W229 VanDerWaalsContact OE2-CZ2 3.26Å; E225-W229 WeakPolarHBondContact OE2-CZ2 3.3Å; E225-T235 HydrophobicContact CB-CG2 4.39Å; E225-T235 HydrophobicContact CG-CG2 4.26Å; E225-T235 PolarHBondContact OE2-OG1 3.43Å; E225-R237 IonicContact OE1-CZ 2.69Å; E225-R237 IonicContact OE1-NH1 3.21Å; E225-R237 PolarHBondContact OE1-NH1 3.46Å
226S98.6Very high98.2Very high41 Ų4145.1 Ų45.129%0.28721%0.208SC..Hα-helixtrans-59.4-42.2176.8-179.30000111.5R222 Y223 I224 L228 W229 K230R222-S226 VanDerWaalsContact O-CB 3.22Å; R222-S226 WeakPolarHBondContact O-CB 3.24Å; R222-S226 PolarHBondContact O-N 3.09Å; Y223-S226 PolarHBondContact O-N 3.45Å; I224-S226 VanDerWaalsContact C-N 3.34Å; I224-S226 PolarHBondContact O-N 3.06Å; S226-L228 VanDerWaalsContact C-N 3.32Å; S226-L228 PolarHBondContact O-N 3.17Å; S226-W229 PolarHBondContact O-N 3.48Å; S226-K230 VanDerWaalsContact O-CG 3.31Å; S226-K230 WeakPolarHBondContact O-CG 3.42Å; S226-K230 PolarHBondContact O-N 2.85Å
227E98.8Very high98.4Very high25 Ų2544.1 Ų44.112%0.11720%0.204CC..Hα-helixtrans-62.5-37.1173.4-73.8-62.4137.200112.6A187 A190 Y223 I224 E225 K230 R231A187-E227 HydrophobicContact CB-CG 4.33Å; A190-E227 HydrophobicContact CB-CB 3.34Å; A190-E227 HydrophobicContact CB-CG 4.31Å; Y223-E227 WeakPolarHBondContact O-CG 3.3Å; Y223-E227 PolarHBondContact O-N 3.38Å; Y223-E227 VanDerWaalsContact O-N 3.15Å; I224-E227 PolarHBondContact O-N 3.4Å; E225-E227 VanDerWaalsContact C-N 3.3Å; E225-E227 PolarHBondContact O-N 3.29Å; E227-K230 IonicContact OE1-NZ 3.97Å; E227-K230 PolarHBondContact OE1-NZ 3.1Å; E227-R231 PolarHBondContact O-NH1 3.41Å; E227-R231 IonicContact OE2-CZ 3.82Å; E227-R231 IonicContact OE2-NH1 3.89Å; E227-R231 PolarHBondContact OE2-NH1 2.97Å; E227-R231 IonicContact OE2-NH2 2.71Å
228L98.8Very high98.5Very high0 Ų045.1 Ų45.10%021%0.208CC..Hα-helixtrans-68.9-40.7172.8-67.4171.7000112.3A190 L193 A194 V207 F209 I224 E225 S226 K230 R231 N232 I233 T235A190-L228 HydrophobicContact CB-CD2 4.37Å; A190-L228 HydrophobicContact CB-CG 4.33Å; L193-L228 HydrophobicContact CB-CD1 4.36Å; L193-L228 HydrophobicContact CB-CD2 3.98Å; L193-L228 HydrophobicContact CD1-CD1 4.14Å; A194-L228 HydrophobicContact CB-CD2 4.18Å; V207-L228 HydrophobicContact CB-CD1 4.3Å; V207-L228 HydrophobicContact CG1-CD1 4.09Å; V207-L228 HydrophobicContact CG2-CD1 4.38Å; F209-L228 HydrophobicContact CE2-CD1 4.07Å; F209-L228 HydrophobicContact CZ-CD1 4.34Å; I224-L228 PolarHBondContact O-N 3.41Å; I224-L228 VanDerWaalsContact O-N 3.08Å; E225-L228 CarbonylContact O-C 3.43Å; E225-L228 WeakPolarHBondContact O-CA 3.1Å; E225-L228 WeakPolarHBondContact O-CB 3.45Å; E225-L228 PolarHBondContact O-N 3.11Å; S226-L228 VanDerWaalsContact C-N 3.32Å; S226-L228 PolarHBondContact O-N 3.17Å; L228-K230 VanDerWaalsContact C-N 3.35Å; L228-K230 PolarHBondContact O-N 3.45Å; L228-R231 CarbonylContact O-C 3.53Å; L228-R231 WeakPolarHBondContact O-CA 3.27Å; L228-R231 WeakPolarHBondContact O-CB 3.42Å; L228-R231 PolarHBondContact O-N 3.36Å; L228-N232 PolarHBondContact O-N 3.41Å; L228-I233 HydrophobicContact CB-CB 4.22Å; L228-I233 HydrophobicContact CD2-CB 4.43Å; L228-I233 HydrophobicContact CD2-CD1 4.12Å; L228-I233 HydrophobicContact CD2-CG2 4.39Å; L228-I233 PolarHBondContact O-N 3.2Å; L228-T235 HydrophobicContact CB-CG2 4.08Å; L228-T235 HydrophobicContact CD1-CG2 3.77Å
229W98.6Very high98.5Very high115 Ų11549 Ų4944%0.43622%0.222SC..Hα-helixtrans-65.2-36.5178-59.6-24.3000112.6E225 S226 R231 N232 T235E225-W229 HydrophobicContact CB-CD2 4.44Å; E225-W229 HydrophobicContact CB-CH2 4.11Å; E225-W229 HydrophobicContact CB-CZ2 3.71Å; E225-W229 PolarHBondContact O-N 3.37Å; E225-W229 VanDerWaalsContact OE2-CZ2 3.26Å; E225-W229 WeakPolarHBondContact OE2-CZ2 3.3Å; S226-W229 PolarHBondContact O-N 3.48Å; W229-R231 PolarHBondContact O-N 2.98Å; W229-R231 VanDerWaalsContact O-N 3.13Å; W229-N232 WeakPolarHBondContact O-CA 3.49Å; W229-N232 PolarHBondContact O-N 3.32Å; W229-T235 PolarHBondContact NE1-OG1 2.67Å
230K98.4Very high98.4Very high138 Ų13847.4 Ų47.460%0.622%0.215SC*.THydrogen-bonded Turntrans-58.6-22.2170.9-70.8171.8-168175.60112.8S226 E227 L228S226-K230 VanDerWaalsContact O-CG 3.31Å; S226-K230 WeakPolarHBondContact O-CG 3.42Å; S226-K230 PolarHBondContact O-N 2.85Å; E227-K230 IonicContact OE1-NZ 3.97Å; E227-K230 PolarHBondContact OE1-NZ 3.1Å; L228-K230 VanDerWaalsContact C-N 3.35Å; L228-K230 PolarHBondContact O-N 3.45Å
231R97.9Very high98.3Very high91 Ų9150.5 Ų50.534%0.34323%0.232SC..THydrogen-bonded Turntrans-98.58.3175.7-62.3166.8174.180.70.7112.6E227 L228 W229 I233E227-R231 PolarHBondContact O-NH1 3.41Å; E227-R231 IonicContact OE2-CZ 3.82Å; E227-R231 IonicContact OE2-NH1 3.89Å; E227-R231 PolarHBondContact OE2-NH1 2.97Å; E227-R231 IonicContact OE2-NH2 2.71Å; L228-R231 CarbonylContact O-C 3.53Å; L228-R231 WeakPolarHBondContact O-CA 3.27Å; L228-R231 WeakPolarHBondContact O-CB 3.42Å; L228-R231 PolarHBondContact O-N 3.36Å; W229-R231 PolarHBondContact O-N 2.98Å; W229-R231 VanDerWaalsContact O-N 3.13Å; R231-I233 HydrophobicContact CB-CD1 4.19Å; R231-I233 HydrophobicContact CB-CG1 4.18Å; R231-I233 PolarHBondContact O-N 2.99Å
232N98.1Very high98.3Very high146 Ų14651.5 Ų51.578%0.78124%0.238SC*.THydrogen-bonded Turntrans59.224.3-174.6-52.9-60.2000114.4L228 W229 P234L228-N232 PolarHBondContact O-N 3.41Å; W229-N232 WeakPolarHBondContact O-CA 3.49Å; W229-N232 PolarHBondContact O-N 3.32Å; N232-P234 WeakPolarHBondContact O-CD 3.41Å
233I98.7Very high98.3Very high4 Ų447.1 Ų47.12%0.02122%0.221CC..  trans-89.1117.4177.2-61.7176.2000108.8A194 W197 V207 L228 R231A194-I233 HydrophobicContact CB-CD1 3.51Å; W197-I233 HydrophobicContact CD2-CD1 4.17Å; W197-I233 HydrophobicContact CD2-CG1 4.14Å; W197-I233 HydrophobicContact CD2-CG2 4.05Å; W197-I233 HydrophobicContact CE3-CD1 3.86Å; W197-I233 HydrophobicContact CE3-CG1 3.95Å; W197-I233 HydrophobicContact CG-CD1 4.49Å; W197-I233 HydrophobicContact CG-CG2 3.96Å; W197-I233 HydrophobicContact CZ3-CD1 4.44Å; W197-I233 HydrophobicContact CZ3-CG1 4.16Å; V207-I233 HydrophobicContact CG2-CG2 3.66Å; L228-I233 HydrophobicContact CB-CB 4.22Å; L228-I233 HydrophobicContact CD2-CB 4.43Å; L228-I233 HydrophobicContact CD2-CD1 4.12Å; L228-I233 HydrophobicContact CD2-CG2 4.39Å; L228-I233 PolarHBondContact O-N 3.2Å; R231-I233 HydrophobicContact CB-CD1 4.19Å; R231-I233 HydrophobicContact CB-CG1 4.18Å; R231-I233 PolarHBondContact O-N 2.99Å
234P98.3Very high98.2Very high50 Ų5050.3 Ų50.333%0.32523%0.234SC..  trans-73.2139.3-17728.1-32.8000111.6V206 V207 N232V206-P234 WeakPolarHBondContact CA-O 3.39Å; V206-P234 HydrophobicContact CB-CG 4.47Å; V206-P234 HydrophobicContact CG1-CB 4.02Å; V206-P234 HydrophobicContact CG1-CG 3.95Å; V207-P234 PolarHBondContact N-O 3.1Å; N232-P234 WeakPolarHBondContact O-CD 3.41Å
235T98.7Very high98.2Very high23 Ų2357.6 Ų57.614%0.14127%0.265CS..EExtended strand (participates in β ladder)trans-118.2151.8177680000111.8V207 F209 E225 L228 W229V207-T235 HydrophobicContact CB-CG2 4.36Å; V207-T235 VanDerWaalsContact O-CA 3.24Å; V207-T235 WeakPolarHBondContact O-CA 3.42Å; F209-T235 HydrophobicContact CE2-CG2 4.12Å; E225-T235 HydrophobicContact CB-CG2 4.39Å; E225-T235 HydrophobicContact CG-CG2 4.26Å; E225-T235 PolarHBondContact OE2-OG1 3.43Å; L228-T235 HydrophobicContact CB-CG2 4.08Å; L228-T235 HydrophobicContact CD1-CG2 3.77Å; W229-T235 PolarHBondContact NE1-OG1 2.67Å
236V98.7Very high98.2Very high22 Ų2260.1 Ų60.113%0.13328%0.281CS..EExtended strand (participates in β ladder)trans-135.2152.4168.2-62.60000109.9V206 V207 M208 F209 K238 K260V206-V236 HydrophobicContact CB-CG1 4.45Å; V206-V236 HydrophobicContact CB-CG2 4.43Å; V206-V236 HydrophobicContact CG1-CG1 4.4Å; V206-V236 HydrophobicContact CG2-CG1 4.22Å; V206-V236 HydrophobicContact CG2-CG2 3.61Å; V207-V236 PolarHBondContact O-N 2.81Å; M208-V236 CarbonylContact C-O 3.55Å; M208-V236 WeakPolarHBondContact CA-O 3.19Å; M208-V236 HydrophobicContact CB-CG2 3.85Å; M208-V236 HydrophobicContact CG-CG2 3.93Å; F209-V236 PolarHBondContact N-O 3.09Å; V236-K238 HydrophobicContact CG2-CG 4.46Å; V236-K260 HydrophobicContact CG1-CD 4.11Å
237R98.5Very high98.2Very high40 Ų4059 Ų5915%0.15128%0.276CS..EExtended strand (participates in β ladder)trans-112.9128.2175.5-60178.770.584.1-3.4108.8F209 V211 H221 E225F209-R237 HydrophobicContact CB-CG 4.31Å; F209-R237 WeakPolarHBondContact O-CA 3.41Å; V211-R237 HydrophobicContact CG2-CB 4.22Å; H221-R237 VanDerWaalsContact CB-NH1 3.25Å; H221-R237 PolarHBondContact ND1-NH1 2.92Å; H221-R237 PolarHBondContact ND1-NH2 3.47Å; H221-R237 VanDerWaalsContact ND1-NH2 3.16Å; E225-R237 IonicContact OE1-CZ 2.69Å; E225-R237 IonicContact OE1-NH1 3.21Å; E225-R237 PolarHBondContact OE1-NH1 3.46Å
238K98.4Very high98.1Very high42 Ų4260.7 Ų60.718%0.18329%0.29CS..EExtended strand (participates in β ladder)trans-138.5143.8-177.9-64.5-69.1159.7-170.50111.2M208 F209 L210 V211 V236 D242 V243 V257 D258M208-K238 HydrophobicContact CG-CB 4.08Å; M208-K238 HydrophobicContact CG-CG 4.01Å; M208-K238 HydrophobicContact SD-CB 3.76Å; M208-K238 HydrophobicContact SD-CG 3.68Å; F209-K238 PolarHBondContact O-N 3.36Å; L210-K238 CarbonylContact C-O 3.47Å; L210-K238 VanDerWaalsContact CA-O 3.29Å; L210-K238 WeakPolarHBondContact CA-O 3.32Å; V211-K238 WeakPolarHBondContact CG2-O 3.45Å; V211-K238 PolarHBondContact N-O 3.29Å; V236-K238 HydrophobicContact CG2-CG 4.46Å; K238-D242 HydrophobicContact CB-CB 4.28Å; K238-D242 HydrophobicContact CD-CB 3.65Å; K238-V243 HydrophobicContact CB-CG2 3.85Å; K238-V257 HydrophobicContact CD-CG1 3.94Å; K238-V257 HydrophobicContact CG-CG1 4.06Å; K238-D258 WeakPolarHBondContact CE-OD2 3.45Å; K238-D258 IonicContact NZ-OD2 3.84Å; K238-D258 PolarHBondContact NZ-OD2 3.19Å
239R97.7Very high98.1Very high89 Ų8963.4 Ų63.434%0.33630%0.304SS..  trans-94167.9166.9-61.8176.5-63.9-1673.6109.5V211 D241 D242 V243V211-R239 HydrophobicContact CG2-CG 4.31Å; R239-D241 PolarHBondContact O-N 3.45Å; R239-D242 WeakPolarHBondContact CB-OD2 3.43Å; R239-D242 PolarHBondContact N-OD2 2.88Å; R239-D242 IonicContact NE-OD2 2.54Å; R239-D242 IonicContact NH2-OD1 2.92Å; R239-D242 PolarHBondContact O-N 3.01Å; R239-V243 PolarHBondContact O-N 2.76Å
240F97.8Very high98.1Very high6 Ų659.5 Ų59.53%0.02629%0.292CS..Hα-helixtrans-50.3-45.3172.2-80.5-69.6000112L210 D242 V243 Y244 Y276 C281 V284 R285 M288L210-F240 HydrophobicContact CD2-CD1 4.38Å; L210-F240 HydrophobicContact CD2-CE1 3.85Å; L210-F240 HydrophobicContact CD2-CE2 4.11Å; L210-F240 HydrophobicContact CD2-CZ 3.7Å; F240-D242 VanDerWaalsContact C-N 3.32Å; F240-D242 PolarHBondContact O-N 2.59Å; F240-V243 PolarHBondContact O-N 3.21Å; F240-Y244 WeakPolarHBondContact O-CB 3.38Å; F240-Y244 PolarHBondContact O-N 2.88Å; F240-Y276 HydrophobicContact CE1-CE1 4.32Å; F240-Y276 HydrophobicContact CZ-CD1 4.44Å; F240-Y276 AromaticContact CZ-CE1 3.87Å; F240-Y276 HydrophobicContact CZ-CE1 3.87Å; F240-C281 HydrophobicContact CB-CB 4.35Å; F240-C281 HydrophobicContact CD1-CB 4.19Å; F240-C281 HydrophobicContact CD2-CB 4.45Å; F240-C281 WeakPolarHBondContact CE1-O 3.33Å; F240-C281 HydrophobicContact CG-CB 4.1Å; F240-V284 HydrophobicContact CD1-CB 4.06Å; F240-V284 HydrophobicContact CD1-CG1 3.66Å; F240-V284 HydrophobicContact CE1-CG1 4.24Å; F240-R285 HydrophobicContact CE1-CB 4.22Å; F240-M288 HydrophobicContact CD1-CE 4.49Å; F240-M288 HydrophobicContact CE1-CE 3.94Å
241D96.6Very high98.1Very high64 Ų6459.1 Ų59.134%0.34230%0.304SS..Hα-helixtrans-61.3-35.5178.7-71.73000114.1R239 K245R239-D241 PolarHBondContact O-N 3.45Å; D241-K245 WeakPolarHBondContact O-CD 3.47Å; D241-K245 VanDerWaalsContact O-CG 3.23Å; D241-K245 WeakPolarHBondContact O-CG 3.28Å; D241-K245 PolarHBondContact O-N 3.35Å; D241-K245 VanDerWaalsContact O-N 3.11Å
242D97.2Very high98Very high37 Ų3759.4 Ų59.420%0.19831%0.312CS..Hα-helixtrans-70.7-41.3-179.7-53.2-44.5000110K238 R239 F240 K245 T246K238-D242 HydrophobicContact CB-CB 4.28Å; K238-D242 HydrophobicContact CD-CB 3.65Å; R239-D242 WeakPolarHBondContact CB-OD2 3.43Å; R239-D242 PolarHBondContact N-OD2 2.88Å; R239-D242 IonicContact NE-OD2 2.54Å; R239-D242 IonicContact NH2-OD1 2.92Å; R239-D242 PolarHBondContact O-N 3.01Å; F240-D242 VanDerWaalsContact C-N 3.32Å; F240-D242 PolarHBondContact O-N 2.59Å; D242-K245 PolarHBondContact O-N 2.7Å; D242-T246 PolarHBondContact O-N 3.16Å; D242-T246 PolarHBondContact O-OG1 3.25Å
243V98.3Very high98Very high0 Ų055.5 Ų55.50%029%0.288CS..Hα-helixtrans-70.8-34.6176-175.20000111M208 L210 K238 R239 F240 K245 G247 V257 V284 M287 M288M208-V243 HydrophobicContact CE-CG2 3.98Å; M208-V243 HydrophobicContact SD-CG2 3.94Å; L210-V243 HydrophobicContact CD1-CG2 4.1Å; K238-V243 HydrophobicContact CB-CG2 3.85Å; R239-V243 PolarHBondContact O-N 2.76Å; F240-V243 PolarHBondContact O-N 3.21Å; V243-K245 PolarHBondContact O-N 2.88Å; V243-G247 WeakPolarHBondContact O-CA 3.45Å; V243-G247 PolarHBondContact O-N 3.21Å; V243-V257 HydrophobicContact CG1-CG2 4.09Å; V243-V257 HydrophobicContact CG2-CG1 4.34Å; V243-V257 HydrophobicContact CG2-CG2 4.34Å; V243-V284 HydrophobicContact CB-CG1 3.73Å; V243-V284 HydrophobicContact CG1-CG1 3.55Å; V243-M287 HydrophobicContact CG1-CE 3.59Å; V243-M288 HydrophobicContact CG1-SD 4.49Å
244Y97.6Very high98Very high123 Ų12359.1 Ų59.148%0.48230%0.302SS..Hα-helixtrans-62.2-43.8174177.2-111.2000111.8F240 Q280 V284F240-Y244 WeakPolarHBondContact O-CB 3.38Å; F240-Y244 PolarHBondContact O-N 2.88Å; Y244-Q280 HydrophobicContact CD1-CB 4.4Å; Y244-Q280 HydrophobicContact CD1-CG 4.36Å; Y244-Q280 HydrophobicContact CD2-CB 3.64Å; Y244-Q280 HydrophobicContact CD2-CG 3.89Å; Y244-Q280 HydrophobicContact CE1-CB 4.47Å; Y244-Q280 HydrophobicContact CE1-CG 3.94Å; Y244-Q280 HydrophobicContact CE2-CB 3.72Å; Y244-Q280 HydrophobicContact CE2-CG 3.42Å; Y244-Q280 VanDerWaalsContact CE2-CG 3.42Å; Y244-Q280 HydrophobicContact CG-CB 4Å; Y244-Q280 HydrophobicContact CG-CG 4.33Å; Y244-Q280 VanDerWaalsContact CZ-CG 3.45Å; Y244-V284 VanDerWaalsContact CA-CG2 3.5Å; Y244-V284 HydrophobicContact CD2-CG2 4.11Å; Y244-V284 HydrophobicContact CG-CG2 4.38Å
245K97.7Very high98Very high153 Ų15356.8 Ų56.867%0.66529%0.286SS*.Hα-helixtrans-71-34.2-175.4-74.2169.8-174.7173.30113.8D241 D242 V243D241-K245 WeakPolarHBondContact O-CD 3.47Å; D241-K245 VanDerWaalsContact O-CG 3.23Å; D241-K245 WeakPolarHBondContact O-CG 3.28Å; D241-K245 PolarHBondContact O-N 3.35Å; D241-K245 VanDerWaalsContact O-N 3.11Å; D242-K245 PolarHBondContact O-N 2.7Å; V243-K245 PolarHBondContact O-N 2.88Å
246T98.2Very high98Very high53 Ų5358 Ų5833%0.32529%0.29SS..Hα-helixtrans-133.3-1.8-166.767.60000113.9D242 D258D242-T246 PolarHBondContact O-N 3.16Å; D242-T246 PolarHBondContact O-OG1 3.25Å; T246-D258 WeakPolarHBondContact CG2-OD1 3.5Å; T246-D258 PolarHBondContact OG1-N 2.92Å; T246-D258 PolarHBondContact OG1-OD1 3.41Å
247G98.4Very high98Very high18 Ų1857.1 Ų57.119%0.18628%0.284CS..  trans-80.7136.5-179.500000111.7V243 F256V243-G247 WeakPolarHBondContact O-CA 3.45Å; V243-G247 PolarHBondContact O-N 3.21Å; G247-F256 CarbonylContact C-O 3.55Å; G247-F256 WeakPolarHBondContact CA-O 3.44Å
248S98.5Very high98Very high61 Ų6159 Ų5943%0.42730%0.298SS..EExtended strand (participates in β ladder)trans-151.3157.7177.460.40000111.4F256S248-F256 PolarHBondContact N-O 2.96Å; S248-F256 PolarHBondContact O-N 3.35Å
249L98.6Very high98Very high56 Ų5660.2 Ų60.229%0.29332%0.322SS..EExtended strand (participates in β ladder)trans-103.4136.5167.2-57.1-174.8000109.5R254 L255 M287 R290 S291L249-R254 WeakPolarHBondContact CA-O 3.44Å; L249-L255 HydrophobicContact CD2-CB 4.15Å; L249-L255 HydrophobicContact CD2-CD1 3.92Å; L249-M287 HydrophobicContact CD1-CG 4.12Å; L249-M287 HydrophobicContact CD2-CG 4.01Å; L249-M287 HydrophobicContact CG-CG 3.82Å; L249-R290 HydrophobicContact CD1-CB 4.18Å; L249-S291 VanDerWaalsContact CD2-CB 3.47Å
250D98Very high98Very high33 Ų3361.1 Ų61.118%0.17633%0.328CS..  trans-79.4178.8168.383.3-12.9000111.2D252 K253 R254 F256D250-D252 PolarHBondContact O-N 3Å; D250-D252 WeakPolarHBondContact OD1-CA 3.49Å; D250-D252 PolarHBondContact OD1-N 3.06Å; D250-K253 WeakPolarHBondContact O-CA 3.44Å; D250-K253 PolarHBondContact O-N 3.36Å; D250-K253 PolarHBondContact OD1-N 3.43Å; D250-R254 PolarHBondContact N-O 3.06Å; D250-R254 VanDerWaalsContact N-O 3.1Å; D250-R254 WeakPolarHBondContact OD1-CB 3.45Å; D250-R254 PolarHBondContact OD1-N 3.15Å; D250-R254 IonicContact OD1-NE 2.73Å; D250-R254 IonicContact OD2-CZ 3.8Å; D250-R254 IonicContact OD2-NE 3.15Å; D250-R254 PolarHBondContact OD2-NE 3.45Å; D250-R254 IonicContact OD2-NH2 2.76Å; D250-R254 PolarHBondContact OD2-NH2 3.22Å; D250-F256 HydrophobicContact CB-CD2 4.4Å; D250-F256 HydrophobicContact CB-CE2 4.04Å
251P97.7Very high98Very high130 Ų13061.9 Ų61.984%0.84433%0.332SS*.THydrogen-bonded Turntrans-58.3-28178.9-2736.8000114.6K253P251-K253 PolarHBondContact O-N 3.12Å
252D96.6Very high98.2Very high97 Ų9758.9 Ų58.952%0.51932%0.316SS..THydrogen-bonded Turntrans-86.85.8176.9-60.2-47.4000112.4D250 R254 Q292D250-D252 PolarHBondContact O-N 3Å; D250-D252 WeakPolarHBondContact OD1-CA 3.49Å; D250-D252 PolarHBondContact OD1-N 3.06Å; D252-R254 HydrophobicContact CB-CG 4.38Å; D252-R254 PolarHBondContact O-N 3.42Å; D252-R254 IonicContact OD2-NH2 3.94Å; D252-Q292 WeakPolarHBondContact O-CG 3.47Å; D252-Q292 PolarHBondContact O-NE2 3.14Å; D252-Q292 VanDerWaalsContact O-NE2 3.09Å
253K98.1Very high98.2Very high64 Ų6457.1 Ų57.128%0.27831%0.307SS..  trans62.722.6-174.7-54.4-179.8179.1-178.10114.2S117 D250 P251 S291 Q292S117-K253 WeakPolarHBondContact OG-CD 3.5Å; S117-K253 PolarHBondContact OG-NZ 3.46Å; D250-K253 WeakPolarHBondContact O-CA 3.44Å; D250-K253 PolarHBondContact O-N 3.36Å; D250-K253 PolarHBondContact OD1-N 3.43Å; P251-K253 PolarHBondContact O-N 3.12Å; K253-S291 CarbonylContact O-C 3.53Å; K253-S291 VanDerWaalsContact O-CA 3.23Å; K253-S291 WeakPolarHBondContact O-CA 3.29Å; K253-S291 WeakPolarHBondContact O-CB 3.25Å; K253-Q292 HydrophobicContact CB-CG 4.4Å; K253-Q292 PolarHBondContact O-N 2.86Å
254R98.6Very high98.3Very high81 Ų8157.1 Ų57.131%0.30631%0.307SS..  trans-69.6135.8169.3-62.9-178.5-67179-7.4109.5L249 D250 D252 F256 E261L249-R254 WeakPolarHBondContact CA-O 3.44Å; D250-R254 PolarHBondContact N-O 3.06Å; D250-R254 VanDerWaalsContact N-O 3.1Å; D250-R254 WeakPolarHBondContact OD1-CB 3.45Å; D250-R254 PolarHBondContact OD1-N 3.15Å; D250-R254 IonicContact OD1-NE 2.73Å; D250-R254 IonicContact OD2-CZ 3.8Å; D250-R254 IonicContact OD2-NE 3.15Å; D250-R254 PolarHBondContact OD2-NE 3.45Å; D250-R254 IonicContact OD2-NH2 2.76Å; D250-R254 PolarHBondContact OD2-NH2 3.22Å; D252-R254 HydrophobicContact CB-CG 4.38Å; D252-R254 PolarHBondContact O-N 3.42Å; D252-R254 IonicContact OD2-NH2 3.94Å; R254-F256 HydrophobicContact CB-CE2 3.88Å; R254-E261 WeakPolarHBondContact CD-OE1 3.49Å; R254-E261 IonicContact NH1-OE1 2.92Å
255L98.8Very high98.3Very high0 Ų051.3 Ų51.30%028%0.284CS..EExtended strand (participates in β ladder)trans-84.6128.6-178.8177.862.4000110M208 L249 V257 E261 V262 V265 M287 M288 A293M208-L255 HydrophobicContact CE-CD2 4.39Å; L249-L255 HydrophobicContact CD2-CB 4.15Å; L249-L255 HydrophobicContact CD2-CD1 3.92Å; L255-V257 HydrophobicContact CD1-CG2 4.3Å; L255-V257 HydrophobicContact CG-CG2 4.31Å; L255-E261 CarbonylContact O-C 3.45Å; L255-E261 WeakPolarHBondContact O-CA 3.44Å; L255-V262 HydrophobicContact CB-CB 4.21Å; L255-V262 HydrophobicContact CD2-CB 3.96Å; L255-V262 HydrophobicContact CD2-CG1 4.1Å; L255-V262 HydrophobicContact CD2-CG2 4.31Å; L255-V262 HydrophobicContact CG-CB 4.04Å; L255-V262 HydrophobicContact CG-CG2 4.21Å; L255-V262 PolarHBondContact O-N 3.01Å; L255-V265 HydrophobicContact CD2-CG2 3.78Å; L255-M287 HydrophobicContact CD1-CE 4.05Å; L255-M288 HydrophobicContact CD2-CG 4.09Å; L255-A293 HydrophobicContact CB-CB 4.31Å; L255-A293 HydrophobicContact CD2-CB 4.3Å
256F98.8Very high98.4Very high48 Ų4844.2 Ų44.221%0.21125%0.253CS..EExtended strand (participates in β ladder)trans-118.2138.4169.6-69.5-96.4000110.1G247 S248 D250 R254 K260 E261G247-F256 CarbonylContact C-O 3.55Å; G247-F256 WeakPolarHBondContact CA-O 3.44Å; S248-F256 PolarHBondContact N-O 2.96Å; S248-F256 PolarHBondContact O-N 3.35Å; D250-F256 HydrophobicContact CB-CD2 4.4Å; D250-F256 HydrophobicContact CB-CE2 4.04Å; R254-F256 HydrophobicContact CB-CE2 3.88Å; F256-K260 CarbonylContact C-O 3.58Å; F256-K260 VanDerWaalsContact CA-O 3.24Å; F256-K260 WeakPolarHBondContact CA-O 3.3Å; F256-E261 HydrophobicContact CD1-CB 4.13Å; F256-E261 HydrophobicContact CE1-CB 3.64Å; F256-E261 HydrophobicContact CE1-CG 4.31Å; F256-E261 HydrophobicContact CZ-CB 4.02Å; F256-E261 HydrophobicContact CZ-CG 4.19Å
257V98.8Very high98.4Very high4 Ų441.7 Ų41.72%0.02424%0.237CC..EExtended strand (participates in β ladder)trans-135.7126.2171.3-176.30000108.1M208 K238 V243 L255 G259 K260 V262M208-V257 HydrophobicContact SD-CB 4.4Å; M208-V257 HydrophobicContact SD-CG2 3.93Å; K238-V257 HydrophobicContact CD-CG1 3.94Å; K238-V257 HydrophobicContact CG-CG1 4.06Å; V243-V257 HydrophobicContact CG1-CG2 4.09Å; V243-V257 HydrophobicContact CG2-CG1 4.34Å; V243-V257 HydrophobicContact CG2-CG2 4.34Å; L255-V257 HydrophobicContact CD1-CG2 4.3Å; L255-V257 HydrophobicContact CG-CG2 4.31Å; V257-G259 PolarHBondContact O-N 2.89Å; V257-K260 PolarHBondContact N-O 3.11Å; V257-K260 WeakPolarHBondContact O-CB 3.49Å; V257-K260 PolarHBondContact O-N 3.29Å; V257-V262 HydrophobicContact CB-CG2 4.41Å; V257-V262 HydrophobicContact CG2-CG2 4.12Å
258D97.8Very high98.4Very high80 Ų8041 Ų4143%0.42823%0.229SC..THydrogen-bonded Turntrans49.640.2-168.9-59.7-65000113.2K238 T246 K260K238-D258 WeakPolarHBondContact CE-OD2 3.45Å; K238-D258 IonicContact NZ-OD2 3.84Å; K238-D258 PolarHBondContact NZ-OD2 3.19Å; T246-D258 WeakPolarHBondContact CG2-OD1 3.5Å; T246-D258 PolarHBondContact OG1-N 2.92Å; T246-D258 PolarHBondContact OG1-OD1 3.41Å; D258-K260 PolarHBondContact O-N 2.98Å
259G97.5Very high98.4Very high67 Ų6738.6 Ų38.669%0.69121%0.211SC*.THydrogen-bonded Turntrans70.76.1-178.800000115.3V257V257-G259 PolarHBondContact O-N 2.89Å
260K98.6Very high98.3Very high108 Ų10836 Ų3647%0.4720%0.198SC..EExtended strand (participates in β ladder)trans-99.5128.2176.2-61.5-176.7179.5-175.40110.8V206 V236 F256 V257 D258V206-K260 HydrophobicContact CG1-CD 4.33Å; V236-K260 HydrophobicContact CG1-CD 4.11Å; F256-K260 CarbonylContact C-O 3.58Å; F256-K260 VanDerWaalsContact CA-O 3.24Å; F256-K260 WeakPolarHBondContact CA-O 3.3Å; V257-K260 PolarHBondContact N-O 3.11Å; V257-K260 WeakPolarHBondContact O-CB 3.49Å; V257-K260 PolarHBondContact O-N 3.29Å; D258-K260 PolarHBondContact O-N 2.98Å
261E98.8Very high98.2Very high23 Ų2336.3 Ų36.311%0.10720%0.197CC..EExtended strand (participates in β ladder)trans-63134.7171.7-172.3179.3-162.800109.9Y200 S202 A205 V206 R254 L255 F256Y200-E261 HydrophobicContact CE1-CG 4.4Å; Y200-E261 PolarHBondContact OH-OE1 3.42Å; S202-E261 PolarHBondContact OG-OE2 3Å; A205-E261 CarbonylContact C-O 3.51Å; A205-E261 WeakPolarHBondContact CA-O 3.32Å; A205-E261 HydrophobicContact CB-CB 4.05Å; A205-E261 HydrophobicContact CB-CG 3.85Å; V206-E261 PolarHBondContact N-O 3.05Å; R254-E261 WeakPolarHBondContact CD-OE1 3.49Å; R254-E261 IonicContact NH1-OE1 2.92Å; L255-E261 CarbonylContact O-C 3.45Å; L255-E261 WeakPolarHBondContact O-CA 3.44Å; F256-E261 HydrophobicContact CD1-CB 4.13Å; F256-E261 HydrophobicContact CE1-CB 3.64Å; F256-E261 HydrophobicContact CE1-CG 4.31Å; F256-E261 HydrophobicContact CZ-CB 4.02Å; F256-E261 HydrophobicContact CZ-CG 4.19Å
262V98.9Very high98.1Very high1 Ų131 Ų311%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-110.8114.6-179.1-179.40000109.3V206 M208 L255 V257 V264 V265 A293V206-V262 HydrophobicContact CG2-CG2 4.13Å; M208-V262 HydrophobicContact CB-CG1 3.67Å; M208-V262 HydrophobicContact CB-CG2 4.35Å; M208-V262 HydrophobicContact SD-CG2 4.41Å; L255-V262 HydrophobicContact CB-CB 4.21Å; L255-V262 HydrophobicContact CD2-CB 3.96Å; L255-V262 HydrophobicContact CD2-CG1 4.1Å; L255-V262 HydrophobicContact CD2-CG2 4.31Å; L255-V262 HydrophobicContact CG-CB 4.04Å; L255-V262 HydrophobicContact CG-CG2 4.21Å; L255-V262 PolarHBondContact O-N 3.01Å; V257-V262 HydrophobicContact CB-CG2 4.41Å; V257-V262 HydrophobicContact CG2-CG2 4.12Å; V262-V264 WeakPolarHBondContact CG1-O 3.49Å; V262-V265 HydrophobicContact CG1-CG2 3.99Å; V262-A293 HydrophobicContact CG1-CB 4.37Å; V262-A293 VanDerWaalsContact O-CB 3.28Å; V262-A293 WeakPolarHBondContact O-CB 3.2Å
263A98.9Very high98Very high0 Ų028.1 Ų28.10%015%0.148CC..EExtended strand (participates in β ladder)trans-82.2-38.5176.500000111.8W197 Y200 A205 V206 A293 V294W197-A263 HydrophobicContact CG-CB 4.34Å; Y200-A263 HydrophobicContact CD1-CB 3.32Å; Y200-A263 HydrophobicContact CD2-CB 4.37Å; Y200-A263 HydrophobicContact CE1-CB 3.86Å; Y200-A263 HydrophobicContact CG-CB 3.62Å; A205-A263 HydrophobicContact CB-CB 3.65Å; V206-A263 PolarHBondContact O-N 3.28Å; A263-A293 CarbonylContact O-C 3.59Å; A263-A293 WeakPolarHBondContact O-CA 3.23Å; A263-V294 PolarHBondContact O-N 3.21Å
264V98.9Very high97.9Very high0 Ų031.4 Ų31.40%016%0.164CC..EExtended strand (participates in β ladder)trans-134.8129.8-176.5-173.60000110.3L122 L193 A196 W197 V207 M208 V262 V294L122-V264 HydrophobicContact CD2-CG1 4.23Å; L193-V264 HydrophobicContact CD2-CG1 3.8Å; A196-V264 HydrophobicContact CB-CG2 4.12Å; W197-V264 HydrophobicContact CB-CG2 4.12Å; V207-V264 HydrophobicContact CG1-CB 4.22Å; V207-V264 HydrophobicContact CG2-CB 4.18Å; V207-V264 HydrophobicContact CG2-CG2 4.28Å; M208-V264 PolarHBondContact N-O 2.8Å; V262-V264 WeakPolarHBondContact CG1-O 3.49Å; V264-V294 CarbonylContact C-O 3.58Å; V264-V294 VanDerWaalsContact CA-O 3.25Å; V264-V294 WeakPolarHBondContact CA-O 3.34Å; V264-V294 HydrophobicContact CG2-CB 4.29Å
265V98.9Very high97.7Very high0 Ų028.8 Ų28.80%016%0.156CC..EExtended strand (participates in β ladder)trans-100.6105.9168.2-176.20000108.2M208 L255 V262 F267 M288 A293 V294 K295 C296M208-V265 HydrophobicContact CE-CB 4.48Å; M208-V265 HydrophobicContact CE-CG1 3.92Å; M208-V265 HydrophobicContact CE-CG2 3.99Å; L255-V265 HydrophobicContact CD2-CG2 3.78Å; V262-V265 HydrophobicContact CG1-CG2 3.99Å; V265-F267 HydrophobicContact CB-CE2 4.31Å; V265-F267 HydrophobicContact CG1-CD2 4.21Å; V265-F267 HydrophobicContact CG1-CE1 4.27Å; V265-F267 HydrophobicContact CG1-CE2 3.73Å; V265-F267 HydrophobicContact CG1-CZ 3.76Å; V265-M288 HydrophobicContact CG1-SD 3.68Å; V265-M288 HydrophobicContact CG2-CG 4.48Å; V265-M288 HydrophobicContact CG2-SD 4.44Å; V265-A293 HydrophobicContact CG2-CB 3.87Å; V265-V294 PolarHBondContact N-O 3.22Å; V265-K295 HydrophobicContact CB-CG 4.41Å; V265-C296 PolarHBondContact O-N 3.09Å
266Y98.9Very high97.6Very high4 Ų429.6 Ų29.62%0.01616%0.159CC..EExtended strand (participates in β ladder)trans-98.5109177.3-179.2-148.8000110.7L124 L193 M208 F209 L210 I224 R268 C296L124-Y266 HydrophobicContact CD1-CD2 4.5Å; L124-Y266 HydrophobicContact CD1-CE2 3.91Å; L193-Y266 HydrophobicContact CD1-CD1 3.85Å; L193-Y266 HydrophobicContact CD1-CE1 4.03Å; L193-Y266 HydrophobicContact CD1-CG 4.34Å; L193-Y266 HydrophobicContact CD2-CD1 4.25Å; L193-Y266 HydrophobicContact CD2-CD2 4.35Å; L193-Y266 HydrophobicContact CD2-CG 3.93Å; M208-Y266 PolarHBondContact O-N 3.18Å; F209-Y266 WeakPolarHBondContact CA-O 3.5Å; F209-Y266 AromaticContact CD1-CD1 3.58Å; F209-Y266 HydrophobicContact CD1-CD1 3.58Å; F209-Y266 AromaticContact CD1-CE1 3.98Å; F209-Y266 HydrophobicContact CD1-CE1 3.98Å; F209-Y266 HydrophobicContact CD2-CD1 4.33Å; F209-Y266 AromaticContact CE1-CD1 3.34Å; F209-Y266 HydrophobicContact CE1-CD1 3.34Å; F209-Y266 AromaticContact CE1-CE1 3.46Å; F209-Y266 HydrophobicContact CE1-CE1 3.46Å; F209-Y266 VanDerWaalsContact CE1-CE1 3.46Å; F209-Y266 HydrophobicContact CE2-CD1 4.09Å; F209-Y266 HydrophobicContact CG-CD1 4.08Å; F209-Y266 AromaticContact CZ-CD1 3.6Å; F209-Y266 HydrophobicContact CZ-CD1 3.6Å; F209-Y266 AromaticContact CZ-CE1 3.95Å; F209-Y266 HydrophobicContact CZ-CE1 3.95Å; L210-Y266 PolarHBondContact N-O 3.3Å; I224-Y266 HydrophobicContact CD1-CE1 4.18Å; Y266-R268 HydrophobicContact CD1-CG 4.46Å; Y266-R268 HydrophobicContact CE1-CG 4.22Å; Y266-R268 PolarHBondContact O-N 2.9Å; Y266-C296 HydrophobicContact CD2-CB 4Å
267F98.9Very high97.4Very high0 Ų032 Ų320%018%0.178CC..EExtended strand (participates in β ladder)trans-77.4117.7-176.3-68.7-91.1000111.4I149 A150 L210 V265 M288 K295 C296 P297I149-F267 HydrophobicContact CD1-CB 4.22Å; I149-F267 HydrophobicContact CG1-CB 4.14Å; A150-F267 WeakPolarHBondContact CA-O 3.43Å; L210-F267 HydrophobicContact CB-CD1 4.38Å; L210-F267 HydrophobicContact CD2-CD1 3.46Å; L210-F267 VanDerWaalsContact CD2-CD1 3.46Å; L210-F267 HydrophobicContact CD2-CE1 3.49Å; L210-F267 VanDerWaalsContact CD2-CE1 3.49Å; V265-F267 HydrophobicContact CB-CE2 4.31Å; V265-F267 HydrophobicContact CG1-CD2 4.21Å; V265-F267 HydrophobicContact CG1-CE1 4.27Å; V265-F267 HydrophobicContact CG1-CE2 3.73Å; V265-F267 HydrophobicContact CG1-CZ 3.76Å; F267-M288 HydrophobicContact CE1-CE 3.8Å; F267-M288 HydrophobicContact CZ-CE 4.06Å; F267-K295 HydrophobicContact CE2-CB 4.06Å; F267-K295 HydrophobicContact CE2-CG 3.86Å; F267-K295 HydrophobicContact CZ-CG 4.4Å; F267-C296 PolarHBondContact N-O 3.17Å; F267-P297 WeakPolarHBondContact CD2-O 3.3Å; F267-P297 WeakPolarHBondContact CE2-O 3.33Å
268R98.4Very high97.2Very high5 Ų534.6 Ų34.62%0.01919%0.191CC..EExtended strand (participates in β ladder)trans-118.321.5165.1-61-60.6-58.1-101.84111.3S152 F209 L210 V211 D220 H221 Y266S152-R268 PolarHBondContact OG-NH2 2.87Å; F209-R268 HydrophobicContact CD1-CG 4.21Å; L210-R268 CarbonylContact O-C 3.56Å; L210-R268 VanDerWaalsContact O-C 3.3Å; L210-R268 VanDerWaalsContact O-CA 3.29Å; L210-R268 WeakPolarHBondContact O-CA 3.39Å; L210-R268 WeakPolarHBondContact O-CB 3.44Å; L210-R268 PolarHBondContact O-N 2.63Å; V211-R268 HydrophobicContact CG1-CB 4.38Å; D220-R268 IonicContact OD2-CZ 3.7Å; D220-R268 IonicContact OD2-NH1 2.67Å; D220-R268 PolarHBondContact OD2-NH1 2.82Å; D220-R268 IonicContact OD2-NH2 3.99Å; D220-R268 PolarHBondContact OD2-NH2 3.22Å; H221-R268 PolarHBondContact CD2-NH1 3.32Å; H221-R268 PolarHBondContact CD2-NH2 2.97Å; H221-R268 WeakPolarHBondContact CE1-CB 3.41Å; H221-R268 PolarHBondContact NE2-NE 2.84Å; H221-R268 PolarHBondContact NE2-NH2 3.41Å; Y266-R268 HydrophobicContact CD1-CG 4.46Å; Y266-R268 HydrophobicContact CE1-CG 4.22Å; Y266-R268 PolarHBondContact O-N 2.9Å
269N97.3Very high97.1Very high10 Ų1035.6 Ų35.65%0.05319%0.194CC..SBendtrans-158.1167.3-179.4-166.32.3000108.2L210 V211 E212 N275L210-N269 PolarHBondContact O-N 3.05Å; V211-N269 PolarHBondContact O-ND2 2.99Å; E212-N269 WeakPolarHBondContact CA-ND2 3.14Å; E212-N269 HydrophobicContact CG-CB 3.87Å; N269-N275 WeakPolarHBondContact OD1-CB 3.43Å; N269-N275 PolarHBondContact OD1-ND2 2.78Å; N269-N275 VanDerWaalsContact OD1-ND2 3.14Å; N269-N275 PolarHBondContact OD1-OD1 3.04Å
270G96.9Very high97Very high0 Ų035.8 Ų35.80%018%0.176CC..  trans87.220.3172.900000115.1N275 Y276G270-N275 PolarHBondContact N-OD1 2.73Å; G270-Y276 WeakPolarHBondContact O-CE2 3.43Å; G270-Y276 PolarHBondContact O-OH 3.21Å
271Y96.6Very high97Very high40 Ų4030.7 Ų30.716%0.15716%0.155CC..SBendtrans-102.2-6178.357.1-89.3000112.9A150 E212 N275 E370A150-Y271 HydrophobicContact CB-CD1 3.58Å; A150-Y271 HydrophobicContact CB-CE1 3.88Å; A150-Y271 HydrophobicContact CB-CG 4.35Å; E212-Y271 VanDerWaalsContact OE1-CE1 3.3Å; E212-Y271 WeakPolarHBondContact OE1-CE1 3.28Å; E212-Y271 VanDerWaalsContact OE1-CZ 3.23Å; E212-Y271 PolarHBondContact OE1-OH 3.32Å; Y271-N275 PolarHBondContact N-OD1 2.83Å; Y271-N275 VanDerWaalsContact N-OD1 3.09Å; Y271-E370 HydrophobicContact CD2-CB 3.94Å
272M95.3Very high97Very high20 Ų2030.8 Ų30.810%0.09915%0.154CC..SBendtrans-129.1151.6175.8-74.5-63.4-84.100111.8Q274 N275 Y276 R369 E370 N374M272-Q274 PolarHBondContact O-N 2.79Å; M272-N275 PolarHBondContact N-OD1 2.93Å; M272-N275 VanDerWaalsContact O-CB 3.23Å; M272-N275 WeakPolarHBondContact O-CB 3.19Å; M272-N275 PolarHBondContact O-N 2.9Å; M272-N275 PolarHBondContact O-OD1 3.24Å; M272-Y276 WeakPolarHBondContact O-CD2 3.34Å; M272-R369 HydrophobicContact CE-CB 4.06Å; M272-R369 HydrophobicContact CE-CG 4.31Å; M272-R369 HydrophobicContact SD-CB 3.8Å; M272-R369 HydrophobicContact SD-CG 4.34Å; M272-E370 PolarHBondContact SD-N 3.23Å; M272-E370 VanDerWaalsContact SD-N 3.43Å; M272-N374 WeakPolarHBondContact CE-OD1 3.33Å
273P95.3Very high96.9Very high36 Ų3635.4 Ų35.423%0.23418%0.179CC..G310 helixtrans-55.8-38.3177.6-17.923.8000112.7F100 N275 Y276F100-P273 HydrophobicContact CB-CB 4.36Å; F100-P273 HydrophobicContact CB-CG 3.82Å; F100-P273 HydrophobicContact CD1-CG 4.22Å; F100-P273 HydrophobicContact CD2-CB 4.03Å; F100-P273 HydrophobicContact CD2-CG 3.9Å; F100-P273 HydrophobicContact CG-CB 4.29Å; F100-P273 HydrophobicContact CG-CG 3.71Å; P273-N275 PolarHBondContact O-N 2.98Å; P273-N275 VanDerWaalsContact O-N 3.1Å; P273-Y276 PolarHBondContact O-N 3.43Å
274Q94.7Very high96.9Very high132 Ų13235.6 Ų35.662%0.61718%0.18SC*.G310 helixtrans-65.1-14.7-179.4-59.6812.800113.1M272 Y276M272-Q274 PolarHBondContact O-N 2.79Å; Q274-Y276 VanDerWaalsContact C-N 3.28Å
275N95.1Very high96.9Very high27 Ų2735.6 Ų35.614%0.14418%0.18CC..G310 helixtrans-76.2-18.3173.4-58.8152.3000112.9N269 G270 Y271 M272 P273N269-N275 WeakPolarHBondContact OD1-CB 3.43Å; N269-N275 PolarHBondContact OD1-ND2 2.78Å; N269-N275 VanDerWaalsContact OD1-ND2 3.14Å; N269-N275 PolarHBondContact OD1-OD1 3.04Å; G270-N275 PolarHBondContact N-OD1 2.73Å; Y271-N275 PolarHBondContact N-OD1 2.83Å; Y271-N275 VanDerWaalsContact N-OD1 3.09Å; M272-N275 PolarHBondContact N-OD1 2.93Å; M272-N275 VanDerWaalsContact O-CB 3.23Å; M272-N275 WeakPolarHBondContact O-CB 3.19Å; M272-N275 PolarHBondContact O-N 2.9Å; M272-N275 PolarHBondContact O-OD1 3.24Å; P273-N275 PolarHBondContact O-N 2.98Å; P273-N275 VanDerWaalsContact O-N 3.1Å
276Y96.8Very high96.9Very high16 Ų1637.4 Ų37.46%0.06319%0.189CC..  trans-102.879.7178.9-61.6-98000108.4F100 F240 G270 M272 P273 Q274 N278 C281 W282 R285F100-Y276 AromaticContact CE2-CD2 3.9Å; F100-Y276 HydrophobicContact CE2-CD2 3.9Å; F100-Y276 AromaticContact CE2-CE2 3.63Å; F100-Y276 HydrophobicContact CE2-CE2 3.63Å; F100-Y276 HydrophobicContact CZ-CE2 4.32Å; F240-Y276 HydrophobicContact CE1-CE1 4.32Å; F240-Y276 HydrophobicContact CZ-CD1 4.44Å; F240-Y276 AromaticContact CZ-CE1 3.87Å; F240-Y276 HydrophobicContact CZ-CE1 3.87Å; G270-Y276 WeakPolarHBondContact O-CE2 3.43Å; G270-Y276 PolarHBondContact O-OH 3.21Å; M272-Y276 WeakPolarHBondContact O-CD2 3.34Å; P273-Y276 PolarHBondContact O-N 3.43Å; Q274-Y276 VanDerWaalsContact C-N 3.28Å; Y276-N278 PolarHBondContact O-N 2.91Å; Y276-C281 HydrophobicContact CD1-CB 3.72Å; Y276-C281 HydrophobicContact CG-CB 4.26Å; Y276-W282 AromaticContact CD1-CD2 3.44Å; Y276-W282 HydrophobicContact CD1-CD2 3.44Å; Y276-W282 VanDerWaalsContact CD1-CD2 3.44Å; Y276-W282 AromaticContact CD1-CE2 3.45Å; Y276-W282 VanDerWaalsContact CD1-CE2 3.45Å; Y276-W282 AromaticContact CD1-CE3 3.74Å; Y276-W282 HydrophobicContact CD1-CE3 3.74Å; Y276-W282 AromaticContact CD1-CG 3.92Å; Y276-W282 HydrophobicContact CD1-CG 3.92Å; Y276-W282 HydrophobicContact CD1-CH2 4.1Å; Y276-W282 AromaticContact CD1-CZ2 3.81Å; Y276-W282 HydrophobicContact CD1-CZ2 3.81Å; Y276-W282 HydrophobicContact CD1-CZ3 4.07Å; Y276-W282 AromaticContact CD1-NE1 3.89Å; Y276-W282 HydrophobicContact CD2-CH2 4.06Å; Y276-W282 AromaticContact CD2-CZ2 3.8Å; Y276-W282 HydrophobicContact CD2-CZ2 3.8Å; Y276-W282 AromaticContact CE1-CD2 3.85Å; Y276-W282 HydrophobicContact CE1-CD2 3.85Å; Y276-W282 AromaticContact CE1-CE3 3.62Å; Y276-W282 HydrophobicContact CE1-CE3 3.62Å; Y276-W282 HydrophobicContact CE1-CH2 4.06Å; Y276-W282 HydrophobicContact CE1-CZ2 4.25Å; Y276-W282 AromaticContact CE1-CZ3 3.74Å; Y276-W282 HydrophobicContact CE1-CZ3 3.74Å; Y276-W282 HydrophobicContact CE2-CH2 4.04Å; Y276-W282 HydrophobicContact CE2-CZ2 4.26Å; Y276-W282 HydrophobicContact CE2-CZ3 4.41Å; Y276-W282 HydrophobicContact CG-CD2 4.03Å; Y276-W282 AromaticContact CG-CE2 3.52Å; Y276-W282 HydrophobicContact CG-CE3 4.49Å; Y276-W282 HydrophobicContact CG-CH2 4.11Å; Y276-W282 AromaticContact CG-CZ2 3.57Å; Y276-W282 HydrophobicContact CG-CZ2 3.57Å; Y276-W282 AromaticContact CG-NE1 3.84Å; Y276-W282 AromaticContact CZ-CZ3 3.93Å; Y276-R285 HydrophobicContact CE1-CB 4.02Å; Y276-R285 HydrophobicContact CE1-CG 4.32Å; Y276-R285 PolarHBondContact OH-NH1 3.45Å
277T94.2Very high96.9Very high100 Ų10039 Ų3961%0.61320%0.197SC*.  trans-71.1-14.5-172.451.10000113.7
278N94.2Very high96.9Very high57 Ų5739 Ų3931%0.30520%0.197SC..SBendtrans-160.1173.6178.856.147.7000110.8Y276 Q280 C281Y276-N278 PolarHBondContact O-N 2.91Å; N278-Q280 PolarHBondContact O-N 3.07Å; N278-Q280 WeakPolarHBondContact OD1-CA 3.22Å; N278-Q280 VanDerWaalsContact OD1-CB 3.28Å; N278-Q280 WeakPolarHBondContact OD1-CB 3.36Å; N278-Q280 PolarHBondContact OD1-N 2.83Å; N278-Q280 VanDerWaalsContact OD1-N 3.15Å; N278-Q280 PolarHBondContact OD1-OE1 3.15Å; N278-C281 WeakPolarHBondContact O-CB 3.45Å; N278-C281 PolarHBondContact O-N 2.82Å; N278-C281 PolarHBondContact OD1-N 2.89Å; N278-C281 VanDerWaalsContact OD1-N 3.08Å; N278-C281 PolarHBondContact OD1-SG 2.91Å; N278-C281 VanDerWaalsContact OD1-SG 3.35Å
279E96.2Very high96.9Very high102 Ų10239.1 Ų39.148%0.47720%0.198SC..Hα-helixtrans-63.6-29.8179.1-68-59.1148.400112.8R103 C281 W282 D283R103-E279 IonicContact CZ-OE1 2.79Å; R103-E279 VanDerWaalsContact CZ-OE1 3.29Å; R103-E279 IonicContact CZ-OE2 3.58Å; R103-E279 IonicContact NH1-OE1 3.88Å; R103-E279 PolarHBondContact NH1-OE1 3.03Å; R103-E279 IonicContact NH1-OE2 2.66Å; R103-E279 PolarHBondContact NH1-OE2 3.24Å; R103-E279 IonicContact NH2-OE1 2.72Å; R103-E279 PolarHBondContact NH2-OE1 3.17Å; R103-E279 IonicContact NH2-OE2 3.76Å; E279-C281 PolarHBondContact O-N 2.91Å; E279-W282 WeakPolarHBondContact O-CA 3.41Å; E279-W282 WeakPolarHBondContact O-CB 3.11Å; E279-W282 PolarHBondContact O-N 2.99Å; E279-D283 PolarHBondContact O-N 2.92Å; E279-D283 VanDerWaalsContact O-N 3.08Å
280Q96.3Very high97Very high70 Ų7043 Ų4333%0.32721%0.212SC..Hα-helixtrans-60.9-31.8176.8-62.188.3-20.300112.3Y244 N278 W282 D283 V284Y244-Q280 HydrophobicContact CD1-CB 4.4Å; Y244-Q280 HydrophobicContact CD1-CG 4.36Å; Y244-Q280 HydrophobicContact CD2-CB 3.64Å; Y244-Q280 HydrophobicContact CD2-CG 3.89Å; Y244-Q280 HydrophobicContact CE1-CB 4.47Å; Y244-Q280 HydrophobicContact CE1-CG 3.94Å; Y244-Q280 HydrophobicContact CE2-CB 3.72Å; Y244-Q280 HydrophobicContact CE2-CG 3.42Å; Y244-Q280 VanDerWaalsContact CE2-CG 3.42Å; Y244-Q280 HydrophobicContact CG-CB 4Å; Y244-Q280 HydrophobicContact CG-CG 4.33Å; Y244-Q280 VanDerWaalsContact CZ-CG 3.45Å; N278-Q280 PolarHBondContact O-N 3.07Å; N278-Q280 WeakPolarHBondContact OD1-CA 3.22Å; N278-Q280 VanDerWaalsContact OD1-CB 3.28Å; N278-Q280 WeakPolarHBondContact OD1-CB 3.36Å; N278-Q280 PolarHBondContact OD1-N 2.83Å; N278-Q280 VanDerWaalsContact OD1-N 3.15Å; N278-Q280 PolarHBondContact OD1-OE1 3.15Å; Q280-W282 VanDerWaalsContact C-N 3.27Å; Q280-W282 PolarHBondContact O-N 2.93Å; Q280-D283 PolarHBondContact O-N 3.46Å; Q280-V284 WeakPolarHBondContact O-CB 3.44Å; Q280-V284 VanDerWaalsContact O-CG2 3.31Å; Q280-V284 WeakPolarHBondContact O-CG2 3.41Å; Q280-V284 PolarHBondContact O-N 2.67Å
281C97.6Very high97Very high2 Ų243 Ų431%0.01421%0.212CC..Hα-helixtrans-60.5-38.9173.3-60.90000111.9F240 Y276 N278 E279 R285F240-C281 HydrophobicContact CB-CB 4.35Å; F240-C281 HydrophobicContact CD1-CB 4.19Å; F240-C281 HydrophobicContact CD2-CB 4.45Å; F240-C281 WeakPolarHBondContact CE1-O 3.33Å; F240-C281 HydrophobicContact CG-CB 4.1Å; Y276-C281 HydrophobicContact CD1-CB 3.72Å; Y276-C281 HydrophobicContact CG-CB 4.26Å; N278-C281 WeakPolarHBondContact O-CB 3.45Å; N278-C281 PolarHBondContact O-N 2.82Å; N278-C281 PolarHBondContact OD1-N 2.89Å; N278-C281 VanDerWaalsContact OD1-N 3.08Å; N278-C281 PolarHBondContact OD1-SG 2.91Å; N278-C281 VanDerWaalsContact OD1-SG 3.35Å; E279-C281 PolarHBondContact O-N 2.91Å; C281-R285 WeakPolarHBondContact O-CB 3.03Å; C281-R285 PolarHBondContact O-N 2.75Å
282W98.4Very high97.1Very high25 Ų2544.2 Ų44.210%0.09522%0.219CC..Hα-helixtrans-71.1-40.5177.8-69.1107.5000111.9F100 R103 L104 I107 Y276 E279 Q280 V284 R285 L286F100-W282 AromaticContact CD2-CH2 3.73Å; F100-W282 HydrophobicContact CD2-CH2 3.73Å; F100-W282 AromaticContact CD2-CZ2 3.97Å; F100-W282 HydrophobicContact CD2-CZ2 3.97Å; F100-W282 AromaticContact CE2-CH2 3.81Å; F100-W282 HydrophobicContact CE2-CH2 3.81Å; F100-W282 HydrophobicContact CE2-CZ2 4.27Å; R103-W282 HydrophobicContact CB-CD2 4.21Å; R103-W282 HydrophobicContact CB-CE3 3.95Å; R103-W282 HydrophobicContact CB-CH2 3.49Å; R103-W282 VanDerWaalsContact CB-CH2 3.49Å; R103-W282 HydrophobicContact CB-CZ2 3.77Å; R103-W282 HydrophobicContact CB-CZ3 3.59Å; R103-W282 VanDerWaalsContact CD-CE2 3.41Å; R103-W282 VanDerWaalsContact CD-CZ2 3.46Å; R103-W282 HydrophobicContact CG-CH2 4.48Å; R103-W282 HydrophobicContact CG-CZ2 4.29Å; L104-W282 HydrophobicContact CD2-CH2 4.23Å; L104-W282 HydrophobicContact CD2-CZ3 3.9Å; L104-W282 HydrophobicContact CG-CH2 4.33Å; L104-W282 HydrophobicContact CG-CZ3 4.3Å; I107-W282 HydrophobicContact CD1-CE3 3.9Å; I107-W282 HydrophobicContact CD1-CZ3 4.31Å; Y276-W282 AromaticContact CD1-CD2 3.44Å; Y276-W282 HydrophobicContact CD1-CD2 3.44Å; Y276-W282 VanDerWaalsContact CD1-CD2 3.44Å; Y276-W282 AromaticContact CD1-CE2 3.45Å; Y276-W282 VanDerWaalsContact CD1-CE2 3.45Å; Y276-W282 AromaticContact CD1-CE3 3.74Å; Y276-W282 HydrophobicContact CD1-CE3 3.74Å; Y276-W282 AromaticContact CD1-CG 3.92Å; Y276-W282 HydrophobicContact CD1-CG 3.92Å; Y276-W282 HydrophobicContact CD1-CH2 4.1Å; Y276-W282 AromaticContact CD1-CZ2 3.81Å; Y276-W282 HydrophobicContact CD1-CZ2 3.81Å; Y276-W282 HydrophobicContact CD1-CZ3 4.07Å; Y276-W282 AromaticContact CD1-NE1 3.89Å; Y276-W282 HydrophobicContact CD2-CH2 4.06Å; Y276-W282 AromaticContact CD2-CZ2 3.8Å; Y276-W282 HydrophobicContact CD2-CZ2 3.8Å; Y276-W282 AromaticContact CE1-CD2 3.85Å; Y276-W282 HydrophobicContact CE1-CD2 3.85Å; Y276-W282 AromaticContact CE1-CE3 3.62Å; Y276-W282 HydrophobicContact CE1-CE3 3.62Å; Y276-W282 HydrophobicContact CE1-CH2 4.06Å; Y276-W282 HydrophobicContact CE1-CZ2 4.25Å; Y276-W282 AromaticContact CE1-CZ3 3.74Å; Y276-W282 HydrophobicContact CE1-CZ3 3.74Å; Y276-W282 HydrophobicContact CE2-CH2 4.04Å; Y276-W282 HydrophobicContact CE2-CZ2 4.26Å; Y276-W282 HydrophobicContact CE2-CZ3 4.41Å; Y276-W282 HydrophobicContact CG-CD2 4.03Å; Y276-W282 AromaticContact CG-CE2 3.52Å; Y276-W282 HydrophobicContact CG-CE3 4.49Å; Y276-W282 HydrophobicContact CG-CH2 4.11Å; Y276-W282 AromaticContact CG-CZ2 3.57Å; Y276-W282 HydrophobicContact CG-CZ2 3.57Å; Y276-W282 AromaticContact CG-NE1 3.84Å; Y276-W282 AromaticContact CZ-CZ3 3.93Å; E279-W282 WeakPolarHBondContact O-CA 3.41Å; E279-W282 WeakPolarHBondContact O-CB 3.11Å; E279-W282 PolarHBondContact O-N 2.99Å; Q280-W282 VanDerWaalsContact C-N 3.27Å; Q280-W282 PolarHBondContact O-N 2.93Å; W282-V284 VanDerWaalsContact C-N 3.33Å; W282-V284 PolarHBondContact O-N 3.24Å; W282-R285 PolarHBondContact O-N 2.92Å; W282-L286 WeakPolarHBondContact O-CB 3.35Å; W282-L286 PolarHBondContact O-N 2.93Å
283D98.1Very high97.3Very high97 Ų9743.3 Ų43.352%0.51922%0.215SC..Hα-helixtrans-61-43.5174.1-68.3-28.8000111.5E279 Q280 L286 M287E279-D283 PolarHBondContact O-N 2.92Å; E279-D283 VanDerWaalsContact O-N 3.08Å; Q280-D283 PolarHBondContact O-N 3.46Å; D283-L286 PolarHBondContact O-N 3.34Å; D283-M287 WeakPolarHBondContact O-CB 3.45Å; D283-M287 PolarHBondContact O-N 2.91Å
284V98.4Very high97.5Very high4 Ų441.6 Ų41.62%0.02420%0.203CC..Hα-helixtrans-64.2-44175.3166.40000111.4F240 V243 Y244 Q280 W282 L286 M287 M288F240-V284 HydrophobicContact CD1-CB 4.06Å; F240-V284 HydrophobicContact CD1-CG1 3.66Å; F240-V284 HydrophobicContact CE1-CG1 4.24Å; V243-V284 HydrophobicContact CB-CG1 3.73Å; V243-V284 HydrophobicContact CG1-CG1 3.55Å; Y244-V284 VanDerWaalsContact CA-CG2 3.5Å; Y244-V284 HydrophobicContact CD2-CG2 4.11Å; Y244-V284 HydrophobicContact CG-CG2 4.38Å; Q280-V284 WeakPolarHBondContact O-CB 3.44Å; Q280-V284 VanDerWaalsContact O-CG2 3.31Å; Q280-V284 WeakPolarHBondContact O-CG2 3.41Å; Q280-V284 PolarHBondContact O-N 2.67Å; W282-V284 VanDerWaalsContact C-N 3.33Å; W282-V284 PolarHBondContact O-N 3.24Å; V284-L286 VanDerWaalsContact C-N 3.32Å; V284-L286 PolarHBondContact O-N 2.8Å; V284-M287 PolarHBondContact O-N 2.84Å; V284-M288 HydrophobicContact CG1-CE 3.78Å; V284-M288 HydrophobicContact CG1-SD 4.34Å; V284-M288 WeakPolarHBondContact O-CG 3.25Å; V284-M288 PolarHBondContact O-N 3.14Å
285R98.8Very high97.7Very high0 Ų035.9 Ų35.90%018%0.177CC..Hα-helixtrans-57.5-48.6175.3178.760.4-174-94.911.6110.4I107 F240 Y276 C281 W282 M287 M288 E289I107-R285 HydrophobicContact CD1-CB 4.03Å; I107-R285 HydrophobicContact CD1-CG 3.6Å; F240-R285 HydrophobicContact CE1-CB 4.22Å; Y276-R285 HydrophobicContact CE1-CB 4.02Å; Y276-R285 HydrophobicContact CE1-CG 4.32Å; Y276-R285 PolarHBondContact OH-NH1 3.45Å; C281-R285 WeakPolarHBondContact O-CB 3.03Å; C281-R285 PolarHBondContact O-N 2.75Å; W282-R285 PolarHBondContact O-N 2.92Å; R285-M287 PolarHBondContact O-N 2.92Å; R285-M288 PolarHBondContact O-N 2.76Å; R285-E289 IonicContact CZ-OE1 2.68Å; R285-E289 IonicContact NE-OE1 2.97Å; R285-E289 PolarHBondContact NE-OE1 3.26Å; R285-E289 IonicContact NH2-OE1 2.78Å; R285-E289 PolarHBondContact NH2-OE1 2.94Å; R285-E289 VanDerWaalsContact O-CG 3.27Å; R285-E289 WeakPolarHBondContact O-CG 3.29Å; R285-E289 PolarHBondContact O-N 3.01Å
286L98.8Very high97.8Very high39 Ų3934.6 Ų34.620%0.20417%0.17CC..Hα-helixtrans-60.9-44.1177177.260.6000112I107 Q110 I111 W282 D283 V284 M288 E289 R290I107-L286 HydrophobicContact CD1-CB 4.33Å; I107-L286 HydrophobicContact CG1-CB 4.32Å; I107-L286 HydrophobicContact CG1-CD1 4.42Å; I107-L286 HydrophobicContact CG2-CD1 3.99Å; Q110-L286 HydrophobicContact CB-CD1 4.17Å; Q110-L286 HydrophobicContact CG-CD1 4Å; Q110-L286 HydrophobicContact CG-CD2 4.41Å; I111-L286 HydrophobicContact CD1-CD1 4.24Å; W282-L286 WeakPolarHBondContact O-CB 3.35Å; W282-L286 PolarHBondContact O-N 2.93Å; D283-L286 PolarHBondContact O-N 3.34Å; V284-L286 VanDerWaalsContact C-N 3.32Å; V284-L286 PolarHBondContact O-N 2.8Å; L286-M288 PolarHBondContact O-N 3.33Å; L286-E289 PolarHBondContact O-N 2.67Å; L286-R290 HydrophobicContact CD1-CG 4.02Å; L286-R290 HydrophobicContact CG-CG 4.33Å; L286-R290 WeakPolarHBondContact O-CB 2.9Å; L286-R290 VanDerWaalsContact O-CG 3.25Å; L286-R290 WeakPolarHBondContact O-CG 3.3Å; L286-R290 PolarHBondContact O-N 2.71Å
287M98.7Very high97.9Very high36 Ų3633.9 Ų33.918%0.17717%0.167CC..Hα-helixtrans-58.2-45.8176.7-179.3-176.967.300111.9V243 L249 L255 D283 V284 R285 R290 S291V243-M287 HydrophobicContact CG1-CE 3.59Å; L249-M287 HydrophobicContact CD1-CG 4.12Å; L249-M287 HydrophobicContact CD2-CG 4.01Å; L249-M287 HydrophobicContact CG-CG 3.82Å; L255-M287 HydrophobicContact CD1-CE 4.05Å; D283-M287 WeakPolarHBondContact O-CB 3.45Å; D283-M287 PolarHBondContact O-N 2.91Å; V284-M287 PolarHBondContact O-N 2.84Å; R285-M287 PolarHBondContact O-N 2.92Å; M287-R290 PolarHBondContact O-N 3.12Å; M287-S291 PolarHBondContact O-N 2.7Å; M287-S291 VanDerWaalsContact O-N 3.13Å
288M98.8Very high98.2Very high0 Ų030.2 Ų30.20%014%0.144CC..Hα-helixtrans-61.1-46.1176.5-70-177.5-62.800110.7M208 L210 F240 V243 L255 V265 F267 V284 R285 L286 R290 S291 K295M208-M288 HydrophobicContact CE-SD 3.75Å; L210-M288 HydrophobicContact CD1-CE 4.43Å; L210-M288 HydrophobicContact CD1-SD 4.31Å; L210-M288 HydrophobicContact CD2-CE 3.74Å; L210-M288 HydrophobicContact CD2-SD 4.36Å; F240-M288 HydrophobicContact CD1-CE 4.49Å; F240-M288 HydrophobicContact CE1-CE 3.94Å; V243-M288 HydrophobicContact CG1-SD 4.49Å; L255-M288 HydrophobicContact CD2-CG 4.09Å; V265-M288 HydrophobicContact CG1-SD 3.68Å; V265-M288 HydrophobicContact CG2-CG 4.48Å; V265-M288 HydrophobicContact CG2-SD 4.44Å; F267-M288 HydrophobicContact CE1-CE 3.8Å; F267-M288 HydrophobicContact CZ-CE 4.06Å; V284-M288 HydrophobicContact CG1-CE 3.78Å; V284-M288 HydrophobicContact CG1-SD 4.34Å; V284-M288 WeakPolarHBondContact O-CG 3.25Å; V284-M288 PolarHBondContact O-N 3.14Å; R285-M288 PolarHBondContact O-N 2.76Å; L286-M288 PolarHBondContact O-N 3.33Å; M288-R290 VanDerWaalsContact C-N 3.33Å; M288-R290 PolarHBondContact O-N 3.46Å; M288-S291 WeakPolarHBondContact O-CB 3.35Å; M288-S291 PolarHBondContact O-N 3.29Å; M288-S291 VanDerWaalsContact O-N 3.13Å; M288-S291 PolarHBondContact O-OG 3.44Å; M288-K295 WeakPolarHBondContact O-CD 3.25Å
289E98.7Very high98.4Very high8 Ų827.7 Ų27.74%0.03713%0.13CC..Hα-helixtrans-62.2-38.2178.4-64-69.4175.600112.4I107 I111 R285 L286 S291 K295 I299I107-E289 HydrophobicContact CG2-CB 4.13Å; I107-E289 HydrophobicContact CG2-CG 3.89Å; I111-E289 HydrophobicContact CD1-CB 3.79Å; I111-E289 HydrophobicContact CG1-CB 3.96Å; R285-E289 IonicContact CZ-OE1 2.68Å; R285-E289 IonicContact NE-OE1 2.97Å; R285-E289 PolarHBondContact NE-OE1 3.26Å; R285-E289 IonicContact NH2-OE1 2.78Å; R285-E289 PolarHBondContact NH2-OE1 2.94Å; R285-E289 VanDerWaalsContact O-CG 3.27Å; R285-E289 WeakPolarHBondContact O-CG 3.29Å; R285-E289 PolarHBondContact O-N 3.01Å; L286-E289 PolarHBondContact O-N 2.67Å; E289-S291 VanDerWaalsContact C-N 3.26Å; E289-S291 PolarHBondContact O-N 2.85Å; E289-K295 PolarHBondContact O-NZ 2.89Å; E289-K295 VanDerWaalsContact O-NZ 3.07Å; E289-I299 HydrophobicContact CG-CB 4.23Å; E289-I299 PolarHBondContact OE1-N 2.66Å; E289-I299 PolarHBondContact OE2-N 3Å; E289-I299 VanDerWaalsContact OE2-N 3.16Å
290R98.5Very high98.5Very high92 Ų9222.9 Ų22.935%0.34711%0.108SC..Hα-helixtrans-67.7-23.2176-70.9173.587179.911113.4I111 E114 S117 L249 L286 M287 M288I111-R290 HydrophobicContact CD1-CB 4.2Å; I111-R290 HydrophobicContact CD1-CG 3.5Å; E114-R290 VanDerWaalsContact CD-NE 3.34Å; E114-R290 IonicContact OE1-CZ 3.61Å; E114-R290 IonicContact OE1-NE 2.83Å; E114-R290 PolarHBondContact OE1-NE 2.78Å; E114-R290 IonicContact OE1-NH2 3.16Å; E114-R290 PolarHBondContact OE1-NH2 3.36Å; E114-R290 IonicContact OE2-CZ 3.73Å; E114-R290 IonicContact OE2-NE 3.16Å; E114-R290 PolarHBondContact OE2-NE 3Å; E114-R290 IonicContact OE2-NH2 3.62Å; E114-R290 PolarHBondContact OE2-NH2 3.12Å; S117-R290 WeakPolarHBondContact CB-O 3.46Å; S117-R290 PolarHBondContact OG-O 2.96Å; L249-R290 HydrophobicContact CD1-CB 4.18Å; L286-R290 HydrophobicContact CD1-CG 4.02Å; L286-R290 HydrophobicContact CG-CG 4.33Å; L286-R290 WeakPolarHBondContact O-CB 2.9Å; L286-R290 VanDerWaalsContact O-CG 3.25Å; L286-R290 WeakPolarHBondContact O-CG 3.3Å; L286-R290 PolarHBondContact O-N 2.71Å; M287-R290 PolarHBondContact O-N 3.12Å; M288-R290 VanDerWaalsContact C-N 3.33Å; M288-R290 PolarHBondContact O-N 3.46Å
291S98.7Very high98.6Very high0 Ų019.6 Ų19.60%09%0.093CC..SBendtrans-71.6164-175.378.40000113.9L249 K253 M287 M288 E289 A293 K295L249-S291 VanDerWaalsContact CD2-CB 3.47Å; K253-S291 CarbonylContact O-C 3.53Å; K253-S291 VanDerWaalsContact O-CA 3.23Å; K253-S291 WeakPolarHBondContact O-CA 3.29Å; K253-S291 WeakPolarHBondContact O-CB 3.25Å; M287-S291 PolarHBondContact O-N 2.7Å; M287-S291 VanDerWaalsContact O-N 3.13Å; M288-S291 WeakPolarHBondContact O-CB 3.35Å; M288-S291 PolarHBondContact O-N 3.29Å; M288-S291 VanDerWaalsContact O-N 3.13Å; M288-S291 PolarHBondContact O-OG 3.44Å; E289-S291 VanDerWaalsContact C-N 3.26Å; E289-S291 PolarHBondContact O-N 2.85Å; S291-A293 PolarHBondContact O-N 3.23Å; S291-A293 WeakPolarHBondContact OG-CB 3.25Å; S291-A293 PolarHBondContact OG-N 3.13Å; S291-A293 VanDerWaalsContact OG-N 3.11Å; S291-K295 PolarHBondContact O-NZ 3.49Å
292Q98.3Very high98.6Very high66 Ų6620 Ų2031%0.3089%0.094SC..SBendtrans-71.2-9.6166.6-70.8-166.1-17.700113.3Q118 Y200 D252 K253 V294Q118-Q292 PolarHBondContact NE2-O 3.19Å; Y200-Q292 HydrophobicContact CE2-CB 4.19Å; Y200-Q292 WeakPolarHBondContact CE2-O 3.35Å; D252-Q292 WeakPolarHBondContact O-CG 3.47Å; D252-Q292 PolarHBondContact O-NE2 3.14Å; D252-Q292 VanDerWaalsContact O-NE2 3.09Å; K253-Q292 HydrophobicContact CB-CG 4.4Å; K253-Q292 PolarHBondContact O-N 2.86Å; Q292-V294 PolarHBondContact O-N 2.84Å
293A98.8Very high98.6Very high0 Ų018.8 Ų18.80%09%0.09CC..SBendtrans-60.3144.5175.800000110.2L255 V262 A263 V265 S291 K295L255-A293 HydrophobicContact CB-CB 4.31Å; L255-A293 HydrophobicContact CD2-CB 4.3Å; V262-A293 HydrophobicContact CG1-CB 4.37Å; V262-A293 VanDerWaalsContact O-CB 3.28Å; V262-A293 WeakPolarHBondContact O-CB 3.2Å; A263-A293 CarbonylContact O-C 3.59Å; A263-A293 WeakPolarHBondContact O-CA 3.23Å; V265-A293 HydrophobicContact CG2-CB 3.87Å; S291-A293 PolarHBondContact O-N 3.23Å; S291-A293 WeakPolarHBondContact OG-CB 3.25Å; S291-A293 PolarHBondContact OG-N 3.13Å; S291-A293 VanDerWaalsContact OG-N 3.11Å; A293-K295 WeakPolarHBondContact O-CD 3.38Å; A293-K295 VanDerWaalsContact O-CE 3.26Å; A293-K295 WeakPolarHBondContact O-CE 3.14Å; A293-K295 PolarHBondContact O-NZ 3.07Å
294V98.9Very high98.7Very high0 Ų014.3 Ų14.30%07%0.066CC..EExtended strand (participates in β ladder)trans-73.2126.4170.3-172.20000108.3Q118 I120 L122 A196 A263 V264 V265 Q292Q118-V294 HydrophobicContact CG-CG2 4.18Å; I120-V294 HydrophobicContact CB-CG1 4.4Å; I120-V294 HydrophobicContact CB-CG2 3.83Å; I120-V294 HydrophobicContact CD1-CG2 4.15Å; I120-V294 HydrophobicContact CG2-CG1 3.95Å; I120-V294 HydrophobicContact CG2-CG2 3.84Å; L122-V294 HydrophobicContact CB-CG1 3.83Å; A196-V294 HydrophobicContact CB-CB 4.34Å; A196-V294 HydrophobicContact CB-CG1 4.03Å; A196-V294 HydrophobicContact CB-CG2 4.39Å; A263-V294 PolarHBondContact O-N 3.21Å; V264-V294 CarbonylContact C-O 3.58Å; V264-V294 VanDerWaalsContact CA-O 3.25Å; V264-V294 WeakPolarHBondContact CA-O 3.34Å; V264-V294 HydrophobicContact CG2-CB 4.29Å; V265-V294 PolarHBondContact N-O 3.22Å; Q292-V294 PolarHBondContact O-N 2.84Å
295K98.9Very high98.7Very high12 Ų1214.2 Ų14.25%0.0527%0.067CC..EExtended strand (participates in β ladder)trans-95140.9177.7-8069.862.7171.70109.4V265 F267 M288 E289 S291 A293 P297 D298V265-K295 HydrophobicContact CB-CG 4.41Å; F267-K295 HydrophobicContact CE2-CB 4.06Å; F267-K295 HydrophobicContact CE2-CG 3.86Å; F267-K295 HydrophobicContact CZ-CG 4.4Å; M288-K295 WeakPolarHBondContact O-CD 3.25Å; E289-K295 PolarHBondContact O-NZ 2.89Å; E289-K295 VanDerWaalsContact O-NZ 3.07Å; S291-K295 PolarHBondContact O-NZ 3.49Å; A293-K295 WeakPolarHBondContact O-CD 3.38Å; A293-K295 VanDerWaalsContact O-CE 3.26Å; A293-K295 WeakPolarHBondContact O-CE 3.14Å; A293-K295 PolarHBondContact O-NZ 3.07Å; K295-P297 WeakPolarHBondContact CB-O 3.28Å; K295-D298 HydrophobicContact CB-CB 3.93Å
296C98.9Very high98.7Very high1 Ų114.9 Ų14.91%0.0077%0.071CC..EExtended strand (participates in β ladder)trans-129.992.3175.4177.70000110.1L122 L124 V265 Y266 F267L122-C296 HydrophobicContact CB-CB 4.42Å; L122-C296 HydrophobicContact CD2-CB 3.68Å; L122-C296 HydrophobicContact CG-CB 3.83Å; L124-C296 VanDerWaalsContact CG-SG 3.52Å; V265-C296 PolarHBondContact O-N 3.09Å; Y266-C296 HydrophobicContact CD2-CB 4Å; F267-C296 PolarHBondContact N-O 3.17Å
297P98.8Very high98.6Very high1 Ų113.1 Ų13.11%0.0066%0.061CC..THydrogen-bonded Turncis-83.7162.4-7.536.4-38.1000112.8T148 I149 F267 K295 T301 H302T148-P297 WeakPolarHBondContact O-CB 3.17Å; T148-P297 WeakPolarHBondContact O-CG 3.37Å; I149-P297 HydrophobicContact CB-CG 3.75Å; I149-P297 HydrophobicContact CD1-CG 4.29Å; I149-P297 HydrophobicContact CG1-CG 3.97Å; F267-P297 WeakPolarHBondContact CD2-O 3.3Å; F267-P297 WeakPolarHBondContact CE2-O 3.33Å; K295-P297 WeakPolarHBondContact CB-O 3.28Å; P297-T301 HydrophobicContact CB-CG2 3.5Å; P297-H302 HydrophobicContact CG-CB 4.11Å
298D98.7Very high98.6Very high22 Ų2211.5 Ų11.512%0.1185%0.053CC..  trans-70.4168.3160.370.816.5000111.8K295 G300 T301 H302K295-D298 HydrophobicContact CB-CB 3.93Å; D298-G300 VanDerWaalsContact C-N 3.29Å; D298-G300 PolarHBondContact O-N 2.96Å; D298-G300 PolarHBondContact OD1-N 3.26Å; D298-T301 PolarHBondContact O-N 2.96Å; D298-T301 WeakPolarHBondContact OD1-CB 2.97Å; D298-T301 PolarHBondContact OD1-N 3.37Å; D298-T301 PolarHBondContact OD1-OG1 2.81Å; D298-H302 PolarHBondContact O-N 2.89Å
299I98.6Very high98.6Very high4 Ų411.5 Ų11.52%0.0215%0.053CC..Hα-helixtrans-61.7-33.8-175.3-163.266.6000113.5L104 I107 H108 E289 H302 L303L104-I299 HydrophobicContact CB-CD1 4.05Å; L104-I299 HydrophobicContact CD2-CD1 3.65Å; L104-I299 HydrophobicContact CG-CD1 4.45Å; L104-I299 WeakPolarHBondContact O-CG1 3.24Å; I107-I299 HydrophobicContact CB-CD1 4.42Å; I107-I299 HydrophobicContact CB-CG1 4.17Å; I107-I299 HydrophobicContact CG2-CB 4.28Å; I107-I299 HydrophobicContact CG2-CD1 4.3Å; I107-I299 HydrophobicContact CG2-CG1 3.94Å; I107-I299 HydrophobicContact CG2-CG2 4.37Å; H108-I299 HydrophobicContact CB-CG1 4.24Å; H108-I299 HydrophobicContact CB-CG2 3.9Å; E289-I299 HydrophobicContact CG-CB 4.23Å; E289-I299 PolarHBondContact OE1-N 2.66Å; E289-I299 PolarHBondContact OE2-N 3Å; E289-I299 VanDerWaalsContact OE2-N 3.16Å; I299-H302 PolarHBondContact O-N 3.14Å; I299-L303 WeakPolarHBondContact O-CG 3.31Å; I299-L303 PolarHBondContact O-N 3.35Å
300G98.2Very high98.6Very high2 Ų211.5 Ų11.52%0.0215%0.053CC..Hα-helixtrans-68.9-42.3177.700000111.9D298 H302 L303 A304D298-G300 VanDerWaalsContact C-N 3.29Å; D298-G300 PolarHBondContact O-N 2.96Å; D298-G300 PolarHBondContact OD1-N 3.26Å; G300-H302 VanDerWaalsContact C-N 3.32Å; G300-H302 PolarHBondContact O-N 3.23Å; G300-L303 PolarHBondContact O-N 3.2Å; G300-A304 PolarHBondContact O-N 3.44Å
301T98.8Very high98.6Very high1 Ų17.3 Ų7.31%0.0064%0.038CC..Hα-helixtrans-66.6-34174.9-580000111.5V77 T148 P297 D298 A304 Y434V77-T301 HydrophobicContact CG1-CG2 3.82Å; T148-T301 VanDerWaalsContact CB-O 3.3Å; T148-T301 WeakPolarHBondContact CB-O 3.3Å; T148-T301 PolarHBondContact OG1-O 3.17Å; P297-T301 HydrophobicContact CB-CG2 3.5Å; D298-T301 PolarHBondContact O-N 2.96Å; D298-T301 WeakPolarHBondContact OD1-CB 2.97Å; D298-T301 PolarHBondContact OD1-N 3.37Å; D298-T301 PolarHBondContact OD1-OG1 2.81Å; T301-A304 PolarHBondContact O-N 3.46Å; T301-Y434 WeakPolarHBondContact CG2-OH 3.18Å
302H98.8Very high98.6Very high9 Ų97.9 Ų7.94%0.0424%0.041CC..Hα-helixtrans-63.8-48.2172.2-172.6-166.7000111.3P297 D298 I299 G300 A304 G305P297-H302 HydrophobicContact CG-CB 4.11Å; D298-H302 PolarHBondContact O-N 2.89Å; I299-H302 PolarHBondContact O-N 3.14Å; G300-H302 VanDerWaalsContact C-N 3.32Å; G300-H302 PolarHBondContact O-N 3.23Å; H302-A304 VanDerWaalsContact C-N 3.29Å; H302-A304 PolarHBondContact O-N 3.3Å; H302-G305 PolarHBondContact O-N 3.32Å; H302-G305 VanDerWaalsContact O-N 3.11Å
303L98.8Very high98.6Very high0 Ų05.4 Ų5.40%03%0.03CC..Hα-helixtrans-62.7-34.4177.4-69.6167.4000112.6L87 L91 T101 L104 F105 H108 I299 G300 G305 T306L87-L303 HydrophobicContact CD2-CB 4.15Å; L91-L303 HydrophobicContact CD1-CB 4.2Å; L91-L303 HydrophobicContact CD1-CD2 3.87Å; L91-L303 HydrophobicContact CD1-CG 4.46Å; T101-L303 HydrophobicContact CG2-CD2 4.39Å; L104-L303 HydrophobicContact CB-CD2 3.86Å; F105-L303 HydrophobicContact CD2-CD1 4.04Å; H108-L303 HydrophobicContact CB-CD1 3.67Å; I299-L303 WeakPolarHBondContact O-CG 3.31Å; I299-L303 PolarHBondContact O-N 3.35Å; G300-L303 PolarHBondContact O-N 3.2Å; L303-G305 PolarHBondContact O-N 2.98Å; L303-T306 WeakPolarHBondContact O-CB 3.3Å; L303-T306 VanDerWaalsContact O-CG2 3.27Å; L303-T306 WeakPolarHBondContact O-CG2 3.16Å; L303-T306 PolarHBondContact O-N 3.26Å; L303-T306 VanDerWaalsContact O-N 3.09Å; L303-T306 PolarHBondContact O-OG1 3.43Å
304A98.6Very high98.5Very high3 Ų36.9 Ų6.93%0.0254%0.042CC..Hα-helixtrans-61-21.4175.600000113.7V77 I80 G300 T301 H302 V309V77-A304 HydrophobicContact CG1-CB 4.22Å; I80-A304 HydrophobicContact CB-CB 4.06Å; I80-A304 HydrophobicContact CG2-CB 3.53Å; G300-A304 PolarHBondContact O-N 3.44Å; T301-A304 PolarHBondContact O-N 3.46Å; H302-A304 VanDerWaalsContact C-N 3.29Å; H302-A304 PolarHBondContact O-N 3.3Å; A304-V309 WeakPolarHBondContact O-CG1 3.15Å
305G98.3Very high98.4Very high3 Ų312.9 Ų12.93%0.0317%0.065CC..THydrogen-bonded Turntrans-85.7-4.317700000114.8T148 H302 L303T148-G305 WeakPolarHBondContact OG1-CA 3.45Å; H302-G305 PolarHBondContact O-N 3.32Å; H302-G305 VanDerWaalsContact O-N 3.11Å; L303-G305 PolarHBondContact O-N 2.98Å
306T98.6Very high98.3Very high13 Ų1318.3 Ų18.38%0.0810%0.102CC..SBendtrans-62.7148-178.956.50000111.8L303 K308 V309 Q310L303-T306 WeakPolarHBondContact O-CB 3.3Å; L303-T306 VanDerWaalsContact O-CG2 3.27Å; L303-T306 WeakPolarHBondContact O-CG2 3.16Å; L303-T306 PolarHBondContact O-N 3.26Å; L303-T306 VanDerWaalsContact O-N 3.09Å; L303-T306 PolarHBondContact O-OG1 3.43Å; T306-K308 PolarHBondContact O-N 3.49Å; T306-V309 PolarHBondContact O-N 3.02Å; T306-V309 VanDerWaalsContact O-N 3.12Å; T306-V309 WeakPolarHBondContact OG1-CB 3.13Å; T306-V309 VanDerWaalsContact OG1-CG2 3.25Å; T306-V309 WeakPolarHBondContact OG1-CG2 3.35Å; T306-V309 PolarHBondContact OG1-N 3.36Å; T306-Q310 PolarHBondContact O-N 3.1Å
307K98.4Very high98.2Very high2 Ų220.2 Ų20.21%0.00912%0.121CC..Hα-helixtrans-61.7-33.7177.3-53.9-56-176.5-104.50111.2E145 Q310 Q311 K366 Q368 E370 I398E145-K307 HydrophobicContact CB-CD 4.49Å; E145-K307 WeakPolarHBondContact OE2-CE 3.29Å; E145-K307 IonicContact OE2-NZ 3.79Å; E145-K307 PolarHBondContact OE2-NZ 3.06Å; K307-Q310 WeakPolarHBondContact O-CB 3.35Å; K307-Q310 PolarHBondContact O-N 3.39Å; K307-Q311 PolarHBondContact O-N 2.94Å; K307-K366 HydrophobicContact CD-CD 4.34Å; K307-K366 HydrophobicContact CG-CB 4.38Å; K307-Q368 VanDerWaalsContact N-OE1 3.17Å; K307-E370 VanDerWaalsContact NZ-CD 3.27Å; K307-E370 IonicContact NZ-OE1 2.7Å; K307-E370 PolarHBondContact NZ-OE1 3.01Å; K307-E370 IonicContact NZ-OE2 3.67Å; K307-E370 PolarHBondContact NZ-OE2 3.41Å; K307-I398 HydrophobicContact CB-CD1 3.82Å; K307-I398 HydrophobicContact CB-CG1 3.93Å; K307-I398 WeakPolarHBondContact O-CD1 3.17Å
308K98.6Very high98.2Very high2 Ų221.3 Ų21.31%0.00913%0.128CC..Hα-helixtrans-60-47.2173-175.562.8176-177.80112.3A90 L91 T306 Q310 Q311 V312 T342 D344 I398A90-K308 WeakPolarHBondContact O-CE 3.43Å; A90-K308 WeakPolarHBondContact O-CG 3.35Å; L91-K308 HydrophobicContact CD2-CB 3.89Å; L91-K308 HydrophobicContact CD2-CG 3.98Å; T306-K308 PolarHBondContact O-N 3.49Å; K308-Q310 PolarHBondContact O-N 3.26Å; K308-Q311 WeakPolarHBondContact O-CB 3.48Å; K308-Q311 PolarHBondContact O-N 3.45Å; K308-V312 WeakPolarHBondContact O-CG2 3.48Å; K308-V312 PolarHBondContact O-N 2.77Å; K308-T342 PolarHBondContact NZ-OG1 3.39Å; K308-D344 IonicContact NZ-OD1 2.8Å; K308-D344 PolarHBondContact NZ-OD1 3.35Å; K308-D344 IonicContact NZ-OD2 3.06Å; K308-D344 PolarHBondContact NZ-OD2 3.12Å; K308-I398 HydrophobicContact CD-CG2 4.21Å
309V98.6Very high98.1Very high0 Ų020.3 Ų20.30%012%0.122CC..Hα-helixtrans-61.2-44.9175.3166.90000111I80 F86 L87 A90 L91 A304 T306 Q311 V312 L313I80-V309 HydrophobicContact CD1-CG1 4.15Å; I80-V309 HydrophobicContact CG2-CG1 4.2Å; F86-V309 HydrophobicContact CE1-CG1 4.02Å; F86-V309 HydrophobicContact CZ-CG1 4.45Å; L87-V309 HydrophobicContact CD2-CG2 3.98Å; A90-V309 HydrophobicContact CB-CG2 4.36Å; L91-V309 HydrophobicContact CD2-CG2 4.31Å; A304-V309 WeakPolarHBondContact O-CG1 3.15Å; T306-V309 PolarHBondContact O-N 3.02Å; T306-V309 VanDerWaalsContact O-N 3.12Å; T306-V309 WeakPolarHBondContact OG1-CB 3.13Å; T306-V309 VanDerWaalsContact OG1-CG2 3.25Å; T306-V309 WeakPolarHBondContact OG1-CG2 3.35Å; T306-V309 PolarHBondContact OG1-N 3.36Å; V309-Q311 VanDerWaalsContact C-N 3.27Å; V309-Q311 PolarHBondContact O-N 2.86Å; V309-V312 PolarHBondContact O-N 3.35Å; V309-L313 HydrophobicContact CG1-CD1 3.93Å; V309-L313 HydrophobicContact CG1-CG 4.29Å; V309-L313 VanDerWaalsContact O-CG 3.26Å; V309-L313 WeakPolarHBondContact O-CG 3.42Å; V309-L313 PolarHBondContact O-N 3.38Å
310Q98.6Very high98.1Very high9 Ų923.2 Ų23.24%0.04214%0.136CC..Hα-helixtrans-53.9-44.5174.3-171.2-172.18.300111.7I144 T306 K307 K308 L313 A314 L340I144-Q310 PolarHBondContact O-NE2 2.78Å; T306-Q310 PolarHBondContact O-N 3.1Å; K307-Q310 WeakPolarHBondContact O-CB 3.35Å; K307-Q310 PolarHBondContact O-N 3.39Å; K308-Q310 PolarHBondContact O-N 3.26Å; Q310-L313 PolarHBondContact O-N 3.08Å; Q310-A314 PolarHBondContact O-N 3.37Å; Q310-L340 HydrophobicContact CG-CD1 4.02Å
311Q98.6Very high98.1Very high3 Ų328.6 Ų28.61%0.01416%0.156CC..Hα-helixtrans-65.7-43.4178.2-179.7-84.2-58.700113K307 K308 V309 L313 A314 L340 I398K307-Q311 PolarHBondContact O-N 2.94Å; K308-Q311 WeakPolarHBondContact O-CB 3.48Å; K308-Q311 PolarHBondContact O-N 3.45Å; V309-Q311 VanDerWaalsContact C-N 3.27Å; V309-Q311 PolarHBondContact O-N 2.86Å; Q311-L313 VanDerWaalsContact C-N 3.32Å; Q311-L313 PolarHBondContact O-N 3.39Å; Q311-A314 WeakPolarHBondContact O-CB 3.37Å; Q311-A314 PolarHBondContact O-N 3.19Å; Q311-L340 HydrophobicContact CB-CB 4.36Å; Q311-L340 HydrophobicContact CG-CB 4.25Å; Q311-I398 HydrophobicContact CB-CB 4.16Å; Q311-I398 HydrophobicContact CB-CD1 4.12Å; Q311-I398 HydrophobicContact CB-CG2 3.67Å; Q311-I398 HydrophobicContact CG-CB 4.25Å; Q311-I398 HydrophobicContact CG-CG2 3.96Å
312V98.4Very high98Very high13 Ų1329 Ų298%0.07916%0.157CC..Hα-helixtrans-65.2-37.6179.3173.80000111.2F86 A90 K308 V309 A314 R315 V318F86-V312 HydrophobicContact CE2-CG1 3.71Å; F86-V312 HydrophobicContact CZ-CB 4.48Å; F86-V312 HydrophobicContact CZ-CG1 3.97Å; A90-V312 HydrophobicContact CB-CB 4.36Å; A90-V312 HydrophobicContact CB-CG1 4.3Å; A90-V312 HydrophobicContact CB-CG2 4.07Å; K308-V312 WeakPolarHBondContact O-CG2 3.48Å; K308-V312 PolarHBondContact O-N 2.77Å; V309-V312 PolarHBondContact O-N 3.35Å; V312-A314 PolarHBondContact O-N 3.21Å; V312-R315 WeakPolarHBondContact O-CB 3.4Å; V312-R315 WeakPolarHBondContact O-CG 3.47Å; V312-R315 PolarHBondContact O-N 2.77Å; V312-R315 VanDerWaalsContact O-N 3.09Å; V312-V318 HydrophobicContact CG1-CG1 4.41Å
313L98.2Very high98Very high13 Ų1328.7 Ų28.77%0.06816%0.156CC..Hα-helixtrans-60.8-27.3176.2-71166.6000113.4L76 I80 F86 V309 Q310 Q311 R315 V318 L319 F322 F337L76-L313 HydrophobicContact CD1-CD2 4.01Å; L76-L313 HydrophobicContact CD2-CD1 4.14Å; L76-L313 HydrophobicContact CD2-CD2 4.47Å; I80-L313 HydrophobicContact CD1-CD1 3.69Å; I80-L313 HydrophobicContact CD1-CD2 3.87Å; I80-L313 HydrophobicContact CD1-CG 4.28Å; I80-L313 HydrophobicContact CG1-CD2 4.43Å; F86-L313 HydrophobicContact CZ-CD2 4.05Å; F86-L313 HydrophobicContact CZ-CG 4.33Å; V309-L313 HydrophobicContact CG1-CD1 3.93Å; V309-L313 HydrophobicContact CG1-CG 4.29Å; V309-L313 VanDerWaalsContact O-CG 3.26Å; V309-L313 WeakPolarHBondContact O-CG 3.42Å; V309-L313 PolarHBondContact O-N 3.38Å; Q310-L313 PolarHBondContact O-N 3.08Å; Q311-L313 VanDerWaalsContact C-N 3.32Å; Q311-L313 PolarHBondContact O-N 3.39Å; L313-R315 PolarHBondContact O-N 3.08Å; L313-V318 HydrophobicContact CD2-CG1 4.19Å; L313-L319 HydrophobicContact CD2-CD2 4.18Å; L313-F322 HydrophobicContact CD2-CD2 4.12Å; L313-F322 HydrophobicContact CD2-CE2 3.83Å; L313-F337 HydrophobicContact CB-CE2 4.38Å; L313-F337 HydrophobicContact CB-CZ 4.41Å
314A97.1Very high97.9Very high32 Ų3233.1 Ų33.126%0.26419%0.185SC..THydrogen-bonded Turntrans-73.1-12.3178.500000113.4Q310 Q311 V312 F337 L340Q310-A314 PolarHBondContact O-N 3.37Å; Q311-A314 WeakPolarHBondContact O-CB 3.37Å; Q311-A314 PolarHBondContact O-N 3.19Å; V312-A314 PolarHBondContact O-N 3.21Å; A314-F337 HydrophobicContact CB-CD2 4.05Å; A314-F337 HydrophobicContact CB-CE2 4.46Å; A314-L340 HydrophobicContact CB-CB 3.76Å; A314-L340 HydrophobicContact CB-CD1 3.77Å; A314-L340 HydrophobicContact CB-CG 4.39Å
315R97.3Very high97.7Very high126 Ų12640 Ų4048%0.47522%0.221SC..SBendtrans-69.6141.7178.2-64.1173.366.1-167.5-1110.8V312 L313 G317 V318V312-R315 WeakPolarHBondContact O-CB 3.4Å; V312-R315 WeakPolarHBondContact O-CG 3.47Å; V312-R315 PolarHBondContact O-N 2.77Å; V312-R315 VanDerWaalsContact O-N 3.09Å; L313-R315 PolarHBondContact O-N 3.08Å; R315-G317 PolarHBondContact O-N 3.19Å; R315-V318 HydrophobicContact CB-CG2 3.77Å; R315-V318 PolarHBondContact O-N 3.43Å
316P96.3Very high97.7Very high126 Ų12644.1 Ų44.182%0.81824%0.24SC*.THydrogen-bonded Turntrans-53.9135.3175.8-25.934.5000112.3V318P316-V318 VanDerWaalsContact C-N 3.28Å; P316-V318 PolarHBondContact O-N 3.04Å
317G97.1Very high97.6Very high41 Ų4148 Ų4842%0.42327%0.265SS..THydrogen-bonded Turntrans84.3-16.7177.700000115.4R315 E320 R321R315-G317 PolarHBondContact O-N 3.19Å; G317-E320 VanDerWaalsContact C-OE2 3.29Å; G317-E320 WeakPolarHBondContact CA-OE2 3.38Å; G317-E320 PolarHBondContact N-OE2 2.87Å; G317-R321 PolarHBondContact O-N 3.34Å
318V97.9Very high97.6Very high24 Ų2455.1 Ų55.115%0.14530%0.298CS..Hα-helixtrans-74-42.7-176.8179.60000111.8F86 V312 L313 R315 P316 E320 R321 F322F86-V318 HydrophobicContact CD2-CG1 4.5Å; F86-V318 HydrophobicContact CE2-CG1 3.59Å; F86-V318 HydrophobicContact CZ-CG1 4.22Å; V312-V318 HydrophobicContact CG1-CG1 4.41Å; L313-V318 HydrophobicContact CD2-CG1 4.19Å; R315-V318 HydrophobicContact CB-CG2 3.77Å; R315-V318 PolarHBondContact O-N 3.43Å; P316-V318 VanDerWaalsContact C-N 3.28Å; P316-V318 PolarHBondContact O-N 3.04Å; V318-E320 VanDerWaalsContact C-N 3.33Å; V318-E320 PolarHBondContact O-N 3.3Å; V318-R321 WeakPolarHBondContact O-CB 3.25Å; V318-R321 PolarHBondContact O-N 3.23Å; V318-F322 HydrophobicContact CG1-CE2 4.31Å; V318-F322 WeakPolarHBondContact O-CD2 3.49Å
319L97.1Very high97.6Very high0 Ų055.2 Ų55.20%030%0.299CS..Hα-helixtrans-63.5-40.2174.3-81.2179.5000112L76 L313 R321 F322 F323 V330 M333 R334 F337L76-L319 HydrophobicContact CD1-CD2 4.07Å; L76-L319 HydrophobicContact CD2-CD2 3.69Å; L313-L319 HydrophobicContact CD2-CD2 4.18Å; L319-R321 VanDerWaalsContact C-N 3.27Å; L319-R321 PolarHBondContact O-N 2.78Å; L319-F322 PolarHBondContact O-N 3.1Å; L319-F323 PolarHBondContact O-N 3.18Å; L319-V330 HydrophobicContact CB-CG1 4.03Å; L319-V330 HydrophobicContact CD1-CG1 4.43Å; L319-M333 HydrophobicContact CD1-CB 4.37Å; L319-M333 HydrophobicContact CD2-CE 4.27Å; L319-R334 HydrophobicContact CD1-CB 4.26Å; L319-F337 HydrophobicContact CD1-CD2 4.29Å; L319-F337 HydrophobicContact CD1-CE2 3.44Å; L319-F337 VanDerWaalsContact CD1-CE2 3.44Å; L319-F337 HydrophobicContact CD1-CZ 3.77Å; L319-F337 HydrophobicContact CD2-CE2 4.32Å; L319-F337 HydrophobicContact CD2-CZ 4.11Å; L319-F337 HydrophobicContact CG-CE2 3.99Å; L319-F337 HydrophobicContact CG-CZ 4.27Å
320E98.1Very high97.6Very high66 Ų6655.4 Ų55.431%0.30830%0.3SS..Hα-helixtrans-59.7-36.4179.7-71.183.9171.200112.1G317 V318 F322 F323 P324 V330 R334G317-E320 VanDerWaalsContact C-OE2 3.29Å; G317-E320 WeakPolarHBondContact CA-OE2 3.38Å; G317-E320 PolarHBondContact N-OE2 2.87Å; V318-E320 VanDerWaalsContact C-N 3.33Å; V318-E320 PolarHBondContact O-N 3.3Å; E320-F322 PolarHBondContact O-N 3.33Å; E320-F323 CarbonylContact O-C 3.6Å; E320-F323 PolarHBondContact O-N 2.52Å; E320-P324 WeakPolarHBondContact O-CA 3.32Å; E320-V330 HydrophobicContact CG-CG1 4.23Å; E320-R334 IonicContact OE1-CZ 3.18Å; E320-R334 IonicContact OE1-NH1 2.7Å; E320-R334 PolarHBondContact OE1-NH1 3.42Å; E320-R334 IonicContact OE1-NH2 3.2Å; E320-R334 PolarHBondContact OE1-NH2 3.28Å; E320-R334 IonicContact OE2-CZ 3.64Å; E320-R334 IonicContact OE2-NH2 2.67Å; E320-R334 PolarHBondContact OE2-NH2 3.49Å
321R97.3Very high97.5Very high114 Ų11460.1 Ų60.143%0.4332%0.323SS..Hα-helixtrans-54.1-37.3173.7172.5-177.3164.6166.63.6112.3D83 G317 V318 L319D83-R321 IonicContact OD1-CZ 3.45Å; D83-R321 IonicContact OD1-NH2 3.78Å; D83-R321 PolarHBondContact OD1-NH2 3.32Å; D83-R321 IonicContact OD2-CZ 2.76Å; D83-R321 VanDerWaalsContact OD2-CZ 3.24Å; D83-R321 IonicContact OD2-NE 3.17Å; D83-R321 PolarHBondContact OD2-NE 2.73Å; D83-R321 VanDerWaalsContact OD2-NE 3.12Å; D83-R321 IonicContact OD2-NH2 3.89Å; D83-R321 PolarHBondContact OD2-NH2 3.02Å; G317-R321 PolarHBondContact O-N 3.34Å; V318-R321 WeakPolarHBondContact O-CB 3.25Å; V318-R321 PolarHBondContact O-N 3.23Å; L319-R321 VanDerWaalsContact C-N 3.27Å; L319-R321 PolarHBondContact O-N 2.78Å
322F98Very high97.5Very high10 Ų1063.3 Ų63.34%0.04434%0.337CS..Hα-helixtrans-85.1-17.2179.1-62.9-67.7000113.1L76 K79 I80 D83 F86 L313 V318 L319 E320L76-F322 HydrophobicContact CD1-CB 3.94Å; L76-F322 HydrophobicContact CD1-CD2 3.76Å; L76-F322 HydrophobicContact CD1-CG 3.93Å; K79-F322 HydrophobicContact CB-CD1 3.84Å; K79-F322 HydrophobicContact CD-CB 4.25Å; K79-F322 WeakPolarHBondContact CD-O 3.4Å; K79-F322 WeakPolarHBondContact CE-O 3.17Å; K79-F322 PolarHBondContact NZ-O 2.88Å; I80-F322 HydrophobicContact CG1-CE1 4.09Å; I80-F322 HydrophobicContact CG1-CE2 4.02Å; I80-F322 HydrophobicContact CG1-CZ 3.78Å; D83-F322 HydrophobicContact CB-CE1 3.95Å; F86-F322 HydrophobicContact CB-CZ 4.24Å; F86-F322 HydrophobicContact CD1-CE2 4.48Å; F86-F322 AromaticContact CD1-CZ 3.79Å; F86-F322 HydrophobicContact CD1-CZ 3.79Å; F86-F322 HydrophobicContact CD2-CE2 4.21Å; F86-F322 AromaticContact CD2-CZ 3.9Å; F86-F322 HydrophobicContact CD2-CZ 3.9Å; F86-F322 HydrophobicContact CE1-CE2 4.34Å; F86-F322 HydrophobicContact CE1-CZ 4.06Å; F86-F322 HydrophobicContact CE2-CE2 4.08Å; F86-F322 HydrophobicContact CE2-CZ 4.17Å; F86-F322 HydrophobicContact CG-CE2 4.4Å; F86-F322 AromaticContact CG-CZ 3.69Å; F86-F322 HydrophobicContact CG-CZ 3.69Å; F86-F322 HydrophobicContact CZ-CE2 4.14Å; F86-F322 HydrophobicContact CZ-CZ 4.25Å; L313-F322 HydrophobicContact CD2-CD2 4.12Å; L313-F322 HydrophobicContact CD2-CE2 3.83Å; V318-F322 HydrophobicContact CG1-CE2 4.31Å; V318-F322 WeakPolarHBondContact O-CD2 3.49Å; L319-F322 PolarHBondContact O-N 3.1Å; E320-F322 PolarHBondContact O-N 3.33Å
323F97.8Very high97.5Very high3 Ų362.7 Ų62.71%0.01333%0.334CS..  trans-137.556.2-174.9-69.3-91.3000111.5T75 L76 L319 E320 D325 Q326 A329 V330 M333T75-F323 HydrophobicContact CG2-CE1 3.88Å; T75-F323 HydrophobicContact CG2-CZ 3.89Å; L76-F323 HydrophobicContact CB-CE2 3.78Å; L76-F323 HydrophobicContact CB-CZ 3.99Å; L76-F323 HydrophobicContact CD1-CE2 3.78Å; L76-F323 HydrophobicContact CG-CE2 4.3Å; L319-F323 PolarHBondContact O-N 3.18Å; E320-F323 CarbonylContact O-C 3.6Å; E320-F323 PolarHBondContact O-N 2.52Å; F323-D325 VanDerWaalsContact C-N 3.25Å; F323-D325 PolarHBondContact O-N 3.49Å; F323-Q326 HydrophobicContact CB-CB 4.15Å; F323-Q326 HydrophobicContact CD1-CB 4.13Å; F323-Q326 PolarHBondContact O-N 2.71Å; F323-Q326 VanDerWaalsContact O-N 3.12Å; F323-A329 HydrophobicContact CD1-CB 4.16Å; F323-A329 HydrophobicContact CE1-CB 4.49Å; F323-V330 HydrophobicContact CB-CG2 3.52Å; F323-V330 HydrophobicContact CG-CG2 4.38Å; F323-M333 HydrophobicContact CD2-CE 3.72Å; F323-M333 HydrophobicContact CE1-CE 4.44Å; F323-M333 HydrophobicContact CE2-CE 3.56Å; F323-M333 HydrophobicContact CE2-SD 4.38Å; F323-M333 HydrophobicContact CG-CE 4.26Å; F323-M333 HydrophobicContact CZ-CE 3.94Å
324P96.4Very high97.5Very high93 Ų9366.6 Ų66.660%0.60435%0.347SS*.THydrogen-bonded Turntrans-59.5-36.3-170.222.4-33.9000112.8E320E320-P324 WeakPolarHBondContact O-CA 3.32Å
325D96.2Very high97.5Very high146 Ų14669 Ų6978%0.78135%0.353SS*.THydrogen-bonded Turntrans-105.314.4-177.1-50-58.1000113.1F323 P327F323-D325 VanDerWaalsContact C-N 3.25Å; F323-D325 PolarHBondContact O-N 3.49Å; D325-P327 VanDerWaalsContact C-CD 3.46Å
326Q97.4Very high97.5Very high91 Ų9163 Ų6343%0.42533%0.331SS..  trans-130.261.8-175.4-60.7179.536.700111.9F323 Q328 A329 V330F323-Q326 HydrophobicContact CB-CB 4.15Å; F323-Q326 HydrophobicContact CD1-CB 4.13Å; F323-Q326 PolarHBondContact O-N 2.71Å; F323-Q326 VanDerWaalsContact O-N 3.12Å; Q326-Q328 PolarHBondContact O-N 2.85Å; Q326-A329 HydrophobicContact CB-CB 4.05Å; Q326-A329 PolarHBondContact O-N 2.78Å; Q326-A329 VanDerWaalsContact O-N 3.1Å; Q326-V330 PolarHBondContact O-N 3.01Å; Q326-V330 VanDerWaalsContact O-N 3.15Å
327P97.3Very high97.6Very high94 Ų9458 Ų5861%0.6130%0.296SS*.Hα-helixtrans-60.7-30.9-176.825.1-35.1000113D325 V330 Q331D325-P327 VanDerWaalsContact C-CD 3.46Å; P327-V330 PolarHBondContact O-N 3.24Å; P327-Q331 WeakPolarHBondContact O-CB 3.45Å; P327-Q331 PolarHBondContact O-N 3.21Å
328Q97.7Very high97.6Very high151 Ų15156.8 Ų56.871%0.70628%0.282SS*.Hα-helixtrans-65.7-42.5176.1-68.9-178.5-700112.1Q326 V330 Q331 Q332Q326-Q328 PolarHBondContact O-N 2.85Å; Q328-V330 VanDerWaalsContact C-N 3.35Å; Q328-Q331 PolarHBondContact O-N 2.58Å; Q328-Q332 WeakPolarHBondContact O-CB 3.45Å; Q328-Q332 VanDerWaalsContact O-CG 3.31Å; Q328-Q332 WeakPolarHBondContact O-CG 3.37Å; Q328-Q332 PolarHBondContact O-N 3.33Å
329A97.6Very high97.6Very high4 Ų456.3 Ų56.33%0.03328%0.282CS..Hα-helixtrans-64.8-41.3176.200000111F323 Q326 Q332 M333F323-A329 HydrophobicContact CD1-CB 4.16Å; F323-A329 HydrophobicContact CE1-CB 4.49Å; Q326-A329 HydrophobicContact CB-CB 4.05Å; Q326-A329 PolarHBondContact O-N 2.78Å; Q326-A329 VanDerWaalsContact O-N 3.1Å; A329-Q332 PolarHBondContact O-N 2.77Å; A329-M333 WeakPolarHBondContact O-CE 3.24Å; A329-M333 WeakPolarHBondContact O-CG 3.41Å; A329-M333 PolarHBondContact O-N 2.81Å
330V98.4Very high97.6Very high4 Ų457 Ų572%0.02429%0.286CS..Hα-helixtrans-58.7-48.5173.8174.30000110.6L319 E320 F323 Q326 P327 Q328 M333 R334L319-V330 HydrophobicContact CB-CG1 4.03Å; L319-V330 HydrophobicContact CD1-CG1 4.43Å; E320-V330 HydrophobicContact CG-CG1 4.23Å; F323-V330 HydrophobicContact CB-CG2 3.52Å; F323-V330 HydrophobicContact CG-CG2 4.38Å; Q326-V330 PolarHBondContact O-N 3.01Å; Q326-V330 VanDerWaalsContact O-N 3.15Å; P327-V330 PolarHBondContact O-N 3.24Å; Q328-V330 VanDerWaalsContact C-N 3.35Å; V330-M333 PolarHBondContact O-N 2.74Å; V330-R334 WeakPolarHBondContact O-CB 3.47Å; V330-R334 PolarHBondContact O-N 3.05Å
331Q98Very high97.7Very high109 Ų10956.9 Ų56.951%0.50928%0.283SS..Hα-helixtrans-59.8-50.6178.9-178.9-177.6-9.500111.3P327 Q328 M333 R334 E335P327-Q331 WeakPolarHBondContact O-CB 3.45Å; P327-Q331 PolarHBondContact O-N 3.21Å; Q328-Q331 PolarHBondContact O-N 2.58Å; Q331-M333 VanDerWaalsContact C-N 3.34Å; Q331-M333 PolarHBondContact O-N 2.8Å; Q331-R334 PolarHBondContact O-N 3.35Å; Q331-E335 HydrophobicContact CG-CG 4.38Å; Q331-E335 WeakPolarHBondContact CG-OE1 3.48Å; Q331-E335 PolarHBondContact NE2-OE1 2.87Å; Q331-E335 VanDerWaalsContact O-CG 3.31Å; Q331-E335 WeakPolarHBondContact O-CG 3.38Å; Q331-E335 PolarHBondContact O-N 3.46Å
332Q97.8Very high97.7Very high69 Ų6951.9 Ų51.932%0.32227%0.265SS..Hα-helixtrans-59.6-41.8-179.2-74173.2-38.400112.5V69 H72 Q328 A329V69-Q332 HydrophobicContact CG2-CB 4.34Å; H72-Q332 PolarHBondContact CD2-OE1 3.07Å; H72-Q332 PolarHBondContact NE2-OE1 3.36Å; H72-Q332 VanDerWaalsContact NE2-OE1 3.08Å; Q328-Q332 WeakPolarHBondContact O-CB 3.45Å; Q328-Q332 VanDerWaalsContact O-CG 3.31Å; Q328-Q332 WeakPolarHBondContact O-CG 3.37Å; Q328-Q332 PolarHBondContact O-N 3.33Å; A329-Q332 PolarHBondContact O-N 2.77Å
333M98.4Very high97.7Very high0 Ų051.4 Ų51.40%026%0.263CS..Hα-helixtrans-67-46.8174.4-70.4-176.6-67.800111.5V69 H72 F73 L76 L319 F323 A329 V330 Q331 E335 T336 F337V69-M333 HydrophobicContact CG2-CB 4.38Å; V69-M333 HydrophobicContact CG2-CG 3.65Å; H72-M333 HydrophobicContact CB-CE 4.47Å; H72-M333 HydrophobicContact CB-CG 3.99Å; H72-M333 HydrophobicContact CB-SD 3.86Å; F73-M333 HydrophobicContact CD1-SD 4.48Å; F73-M333 HydrophobicContact CE1-CG 4.47Å; F73-M333 HydrophobicContact CE2-CG 4.23Å; F73-M333 HydrophobicContact CZ-CB 4.28Å; F73-M333 HydrophobicContact CZ-CG 4.18Å; L76-M333 HydrophobicContact CB-SD 4.2Å; L76-M333 HydrophobicContact CD2-SD 3.82Å; L319-M333 HydrophobicContact CD1-CB 4.37Å; L319-M333 HydrophobicContact CD2-CE 4.27Å; F323-M333 HydrophobicContact CD2-CE 3.72Å; F323-M333 HydrophobicContact CE1-CE 4.44Å; F323-M333 HydrophobicContact CE2-CE 3.56Å; F323-M333 HydrophobicContact CE2-SD 4.38Å; F323-M333 HydrophobicContact CG-CE 4.26Å; F323-M333 HydrophobicContact CZ-CE 3.94Å; A329-M333 WeakPolarHBondContact O-CE 3.24Å; A329-M333 WeakPolarHBondContact O-CG 3.41Å; A329-M333 PolarHBondContact O-N 2.81Å; V330-M333 PolarHBondContact O-N 2.74Å; Q331-M333 VanDerWaalsContact C-N 3.34Å; Q331-M333 PolarHBondContact O-N 2.8Å; M333-E335 VanDerWaalsContact C-N 3.3Å; M333-E335 PolarHBondContact O-N 3.39Å; M333-T336 WeakPolarHBondContact O-CA 3.45Å; M333-T336 WeakPolarHBondContact O-CB 3.3Å; M333-T336 PolarHBondContact O-N 2.98Å; M333-T336 PolarHBondContact O-OG1 3.19Å; M333-F337 WeakPolarHBondContact O-CD1 3.12Å
334R98.1Very high97.6Very high95 Ų9553.3 Ų53.336%0.35827%0.273SS..Hα-helixtrans-61.8-36.1-178.3-179.3173.5-68.71494.1112.8L319 E320 V330 Q331 T336 F337L319-R334 HydrophobicContact CD1-CB 4.26Å; E320-R334 IonicContact OE1-CZ 3.18Å; E320-R334 IonicContact OE1-NH1 2.7Å; E320-R334 PolarHBondContact OE1-NH1 3.42Å; E320-R334 IonicContact OE1-NH2 3.2Å; E320-R334 PolarHBondContact OE1-NH2 3.28Å; E320-R334 IonicContact OE2-CZ 3.64Å; E320-R334 IonicContact OE2-NH2 2.67Å; E320-R334 PolarHBondContact OE2-NH2 3.49Å; V330-R334 WeakPolarHBondContact O-CB 3.47Å; V330-R334 PolarHBondContact O-N 3.05Å; Q331-R334 PolarHBondContact O-N 3.35Å; R334-T336 PolarHBondContact O-N 2.88Å; R334-F337 WeakPolarHBondContact O-CB 3.39Å; R334-F337 PolarHBondContact O-N 3.48Å
335E97.2Very high97.6Very high84 Ų8453.5 Ų53.539%0.39327%0.267SS..Hα-helixtrans-57.6-30.3174.2-77.6171.3-17500112K142 Q331 M333K142-E335 PolarHBondContact NZ-O 3.21Å; Q331-E335 HydrophobicContact CG-CG 4.38Å; Q331-E335 WeakPolarHBondContact CG-OE1 3.48Å; Q331-E335 PolarHBondContact NE2-OE1 2.87Å; Q331-E335 VanDerWaalsContact O-CG 3.31Å; Q331-E335 WeakPolarHBondContact O-CG 3.38Å; Q331-E335 PolarHBondContact O-N 3.46Å; M333-E335 VanDerWaalsContact C-N 3.3Å; M333-E335 PolarHBondContact O-N 3.39Å
336T98.1Very high97.6Very high0 Ų047.8 Ų47.80%024%0.243CC..THydrogen-bonded Turntrans-81.4-10.8175.9760000114.3V69 Y129 L141 K142 Q143 M333 R334V69-T336 HydrophobicContact CG1-CG2 4.38Å; Y129-T336 HydrophobicContact CE1-CG2 4.04Å; L141-T336 HydrophobicContact CD2-CG2 4.15Å; L141-T336 WeakPolarHBondContact O-CA 3.4Å; K142-T336 CarbonylContact C-O 3.51Å; K142-T336 VanDerWaalsContact CA-O 3.28Å; K142-T336 WeakPolarHBondContact CA-O 3.3Å; Q143-T336 PolarHBondContact N-O 3Å; M333-T336 WeakPolarHBondContact O-CA 3.45Å; M333-T336 WeakPolarHBondContact O-CB 3.3Å; M333-T336 PolarHBondContact O-N 2.98Å; M333-T336 PolarHBondContact O-OG1 3.19Å; R334-T336 PolarHBondContact O-N 2.88Å
337F98.1Very high97.6Very high21 Ų2149 Ų499%0.09226%0.258CS..  trans-75.9135.2-178.6-68.5-2.8000111.5F73 K142 L313 A314 L319 M333 R334F73-F337 HydrophobicContact CE1-CE1 4.09Å; F73-F337 HydrophobicContact CZ-CE1 4.02Å; K142-F337 VanDerWaalsContact CD-O 3.31Å; K142-F337 WeakPolarHBondContact CD-O 3.42Å; K142-F337 PolarHBondContact NZ-O 3.5Å; L313-F337 HydrophobicContact CB-CE2 4.38Å; L313-F337 HydrophobicContact CB-CZ 4.41Å; A314-F337 HydrophobicContact CB-CD2 4.05Å; A314-F337 HydrophobicContact CB-CE2 4.46Å; L319-F337 HydrophobicContact CD1-CD2 4.29Å; L319-F337 HydrophobicContact CD1-CE2 3.44Å; L319-F337 VanDerWaalsContact CD1-CE2 3.44Å; L319-F337 HydrophobicContact CD1-CZ 3.77Å; L319-F337 HydrophobicContact CD2-CE2 4.32Å; L319-F337 HydrophobicContact CD2-CZ 4.11Å; L319-F337 HydrophobicContact CG-CE2 3.99Å; L319-F337 HydrophobicContact CG-CZ 4.27Å; M333-F337 WeakPolarHBondContact O-CD1 3.12Å; R334-F337 WeakPolarHBondContact O-CB 3.39Å; R334-F337 PolarHBondContact O-N 3.48Å
338A96.5Very high97.6Very high14 Ų1449.3 Ų49.312%0.11625%0.252CS..  trans-85175.7162.800000110.1K142 L340 M400 D401 I403K142-A338 HydrophobicContact CB-CB 4.46Å; K142-A338 HydrophobicContact CD-CB 4.47Å; A338-L340 PolarHBondContact O-N 3.49Å; A338-M400 HydrophobicContact CB-CE 3.67Å; A338-D401 HydrophobicContact CB-CB 4.35Å; A338-I403 HydrophobicContact CB-CD1 4.5Å; A338-I403 HydrophobicContact CB-CG1 4.49Å
339G97.7Very high97.6Very high15 Ų1542.2 Ų42.216%0.15522%0.219CC..  trans-62.1125168.700000110.6M400 D401G339-M400 CarbonylContact O-C 3.51Å; G339-M400 VanDerWaalsContact O-CA 3.29Å; G339-M400 WeakPolarHBondContact O-CA 3.39Å; G339-D401 WeakPolarHBondContact CA-OD2 3.28Å; G339-D401 PolarHBondContact N-OD2 3.33Å; G339-D401 PolarHBondContact O-N 3.06Å
340L98.4Very high97.6Very high15 Ų1545.9 Ų45.98%0.07924%0.238CC..EExtended strand (participates in β ladder)trans-132.6121.4-179.1-76.2160000108.1Q310 Q311 A314 A338 I398 M400Q310-L340 HydrophobicContact CG-CD1 4.02Å; Q311-L340 HydrophobicContact CB-CB 4.36Å; Q311-L340 HydrophobicContact CG-CB 4.25Å; A314-L340 HydrophobicContact CB-CB 3.76Å; A314-L340 HydrophobicContact CB-CD1 3.77Å; A314-L340 HydrophobicContact CB-CG 4.39Å; A338-L340 PolarHBondContact O-N 3.49Å; L340-I398 HydrophobicContact CD2-CD1 3.81Å; L340-M400 HydrophobicContact CD2-CB 3.99Å; L340-M400 HydrophobicContact CD2-CG 3.68Å; L340-M400 HydrophobicContact CD2-SD 4.13Å; L340-M400 HydrophobicContact CG-CG 4.35Å
341Y98.4Very high97.6Very high62 Ų6253.4 Ų53.424%0.24327%0.27CS..EExtended strand (participates in β ladder)trans-128.6137.7-166.2-46.7-83.1000111.2T352 M355 F363 L399 D401Y341-T352 VanDerWaalsContact CB-CG2 3.44Å; Y341-T352 HydrophobicContact CG-CG2 4.32Å; Y341-M355 HydrophobicContact CD1-CE 4.21Å; Y341-M355 HydrophobicContact CD2-CE 3.97Å; Y341-M355 HydrophobicContact CE1-CE 4.22Å; Y341-M355 HydrophobicContact CE2-CE 3.97Å; Y341-M355 HydrophobicContact CG-CE 4.09Å; Y341-F363 HydrophobicContact CD2-CE1 4.5Å; Y341-F363 HydrophobicContact CE2-CD1 4.4Å; Y341-F363 AromaticContact CE2-CE1 3.94Å; Y341-F363 HydrophobicContact CE2-CE1 3.94Å; Y341-L399 HydrophobicContact CD2-CB 4.4Å; Y341-L399 HydrophobicContact CD2-CD2 4.22Å; Y341-L399 HydrophobicContact CD2-CG 4.5Å; Y341-L399 PolarHBondContact N-O 3.24Å; Y341-L399 PolarHBondContact O-N 3.09Å; Y341-L399 VanDerWaalsContact O-N 3.08Å; Y341-D401 WeakPolarHBondContact CE2-OD1 3.49Å; Y341-D401 PolarHBondContact OH-OD1 2.83Å
342T97.9Very high97.6Very high9 Ų948.5 Ų48.56%0.05525%0.248CC..EExtended strand (participates in β ladder)trans-74.7146.4174.6-171.20000110.7K308 D344 E348 T352K308-T342 PolarHBondContact NZ-OG1 3.39Å; T342-D344 WeakPolarHBondContact OG1-CB 3.34Å; T342-D344 PolarHBondContact OG1-N 3.47Å; T342-D344 PolarHBondContact OG1-OD2 3.43Å; T342-E348 HydrophobicContact CG2-CB 4.27Å; T342-E348 HydrophobicContact CG2-CG 3.84Å; T342-T352 VanDerWaalsContact O-CB 3.3Å; T342-T352 WeakPolarHBondContact O-CB 3.13Å; T342-T352 WeakPolarHBondContact O-CG2 3.29Å; T342-T352 PolarHBondContact O-OG1 2.98Å
343L97.8Very high97.6Very high0 Ų045.6 Ų45.60%024%0.235CC..  trans-106.29.4165.6-71.5166.3000111.4T352 V353 L365 L385 R394L343-T352 HydrophobicContact CD2-CG2 3.77Å; L343-T352 HydrophobicContact CG-CG2 4.33Å; L343-V353 HydrophobicContact CD2-CG2 3.54Å; L343-L365 HydrophobicContact CD1-CD1 3.36Å; L343-L385 HydrophobicContact CD1-CD2 4.25Å; L343-L385 HydrophobicContact CD2-CD2 4.32Å; L343-R394 HydrophobicContact CB-CG 4.5Å; L343-R394 WeakPolarHBondContact CB-O 3.4Å; L343-R394 WeakPolarHBondContact O-CD 3.41Å; L343-R394 WeakPolarHBondContact O-CG 3.45Å; L343-R394 PolarHBondContact O-NE 3.19Å
344D96.5Very high97.6Very high43 Ų4348.4 Ų48.423%0.2326%0.258CS..  trans-56.2154.9-180-63.6-29.6000112.8S93 K308 T342 G346 G349 R394 T395S93-D344 PolarHBondContact OG-OD1 3.28Å; K308-D344 IonicContact NZ-OD1 2.8Å; K308-D344 PolarHBondContact NZ-OD1 3.35Å; K308-D344 IonicContact NZ-OD2 3.06Å; K308-D344 PolarHBondContact NZ-OD2 3.12Å; T342-D344 WeakPolarHBondContact OG1-CB 3.34Å; T342-D344 PolarHBondContact OG1-N 3.47Å; T342-D344 PolarHBondContact OG1-OD2 3.43Å; D344-G346 PolarHBondContact O-N 3.3Å; D344-G349 WeakPolarHBondContact O-CA 3.23Å; D344-R394 PolarHBondContact O-NH2 2.97Å; D344-T395 HydrophobicContact CB-CG2 4.4Å
345M96.7Very high97.6Very high97 Ų9746 Ų4648%0.47825%0.252SS..SBendtrans-58.7132.5177.2-63-56.1-68.900111.2T392 R394M345-T392 HydrophobicContact CG-CG2 4.04Å; M345-R394 VanDerWaalsContact CA-NH2 3.35Å; M345-R394 HydrophobicContact SD-CG 4.25Å; M345-R394 VanDerWaalsContact SD-CZ 3.52Å; M345-R394 PolarHBondContact SD-NE 3.38Å
346G96.6Very high97.6Very high26 Ų2642 Ų4227%0.26823%0.233SC..SBendtrans126.6178.1179.500000114D344 E348 G349 D350D344-G346 PolarHBondContact O-N 3.3Å; G346-E348 VanDerWaalsContact C-N 3.31Å; G346-E348 PolarHBondContact O-N 3.21Å; G346-G349 PolarHBondContact O-N 2.76Å; G346-G349 VanDerWaalsContact O-N 3.13Å; G346-D350 PolarHBondContact O-N 3.41Å
347P97.4Very high97.6Very high116 Ų11644.1 Ų44.175%0.75324%0.244SC*.Hα-helixtrans-58.1-36.9-167.4-27.535.1000115K351P347-K351 WeakPolarHBondContact O-CB 3.4Å; P347-K351 PolarHBondContact O-N 3.14Å
348E96.6Very high97.6Very high102 Ų10246.7 Ų46.748%0.47727%0.269SS..Hα-helixtrans-68.6-45.7178.6-171.9-178.316800111.7T342 G346 K351 T352T342-E348 HydrophobicContact CG2-CB 4.27Å; T342-E348 HydrophobicContact CG2-CG 3.84Å; G346-E348 VanDerWaalsContact C-N 3.31Å; G346-E348 PolarHBondContact O-N 3.21Å; E348-K351 PolarHBondContact O-N 2.82Å; E348-T352 WeakPolarHBondContact O-CB 3.42Å; E348-T352 PolarHBondContact O-N 2.85Å; E348-T352 PolarHBondContact O-OG1 2.95Å
349G97.5Very high97.6Very high1 Ų150.5 Ų50.51%0.0128%0.284CS..Hα-helixtrans-67.9-37.9176.300000112.3D344 G346 K351 T352 V353D344-G349 WeakPolarHBondContact O-CA 3.23Å; G346-G349 PolarHBondContact O-N 2.76Å; G346-G349 VanDerWaalsContact O-N 3.13Å; G349-K351 VanDerWaalsContact C-N 3.34Å; G349-K351 PolarHBondContact O-N 3.19Å; G349-T352 WeakPolarHBondContact O-CB 3.49Å; G349-T352 PolarHBondContact O-N 3.19Å; G349-T352 VanDerWaalsContact O-N 3.13Å; G349-V353 WeakPolarHBondContact O-CG2 3.35Å; G349-V353 PolarHBondContact O-N 2.89Å
350D98.1Very high97.6Very high81 Ų8150.8 Ų50.843%0.43328%0.283SS..Hα-helixtrans-62.6-42.3176.3-64.5-19.3000111.3G346 T352 V353 A354 R394G346-D350 PolarHBondContact O-N 3.41Å; D350-T352 VanDerWaalsContact C-N 3.34Å; D350-V353 PolarHBondContact O-N 2.95Å; D350-A354 WeakPolarHBondContact O-CB 3.28Å; D350-A354 PolarHBondContact O-N 2.68Å; D350-R394 IonicContact OD1-CZ 3.01Å; D350-R394 VanDerWaalsContact OD1-CZ 3.24Å; D350-R394 IonicContact OD1-NH1 3.97Å; D350-R394 PolarHBondContact OD1-NH1 3.46Å; D350-R394 IonicContact OD1-NH2 2.76Å; D350-R394 PolarHBondContact OD1-NH2 2.66Å
351K98.1Very high97.4Very high162 Ų16255.7 Ų55.770%0.70431%0.31SS*.Hα-helixtrans-62.4-42.4172.8-175.3-177.6178.5-175.60111.4P347 E348 G349 A354 M355P347-K351 WeakPolarHBondContact O-CB 3.4Å; P347-K351 PolarHBondContact O-N 3.14Å; E348-K351 PolarHBondContact O-N 2.82Å; G349-K351 VanDerWaalsContact C-N 3.34Å; G349-K351 PolarHBondContact O-N 3.19Å; K351-A354 PolarHBondContact O-N 2.91Å; K351-M355 WeakPolarHBondContact O-CB 3.41Å; K351-M355 PolarHBondContact O-N 3.24Å
352T98.1Very high97.3Very high7 Ų758.4 Ų58.44%0.04332%0.32CS..Hα-helixtrans-63.6-43.4178.6-60.70000111.5Y341 T342 L343 E348 G349 D350 M355 A356 L399Y341-T352 VanDerWaalsContact CB-CG2 3.44Å; Y341-T352 HydrophobicContact CG-CG2 4.32Å; T342-T352 VanDerWaalsContact O-CB 3.3Å; T342-T352 WeakPolarHBondContact O-CB 3.13Å; T342-T352 WeakPolarHBondContact O-CG2 3.29Å; T342-T352 PolarHBondContact O-OG1 2.98Å; L343-T352 HydrophobicContact CD2-CG2 3.77Å; L343-T352 HydrophobicContact CG-CG2 4.33Å; E348-T352 WeakPolarHBondContact O-CB 3.42Å; E348-T352 PolarHBondContact O-N 2.85Å; E348-T352 PolarHBondContact O-OG1 2.95Å; G349-T352 WeakPolarHBondContact O-CB 3.49Å; G349-T352 PolarHBondContact O-N 3.19Å; G349-T352 VanDerWaalsContact O-N 3.13Å; D350-T352 VanDerWaalsContact C-N 3.34Å; T352-M355 PolarHBondContact O-N 2.94Å; T352-A356 WeakPolarHBondContact O-CB 3.41Å; T352-A356 PolarHBondContact O-N 2.97Å; T352-L399 HydrophobicContact CG2-CB 3.79Å; T352-L399 HydrophobicContact CG2-CD2 3.57Å; T352-L399 HydrophobicContact CG2-CG 4.34Å
353V98.3Very high97.3Very high8 Ų858 Ų585%0.04832%0.317CS..Hα-helixtrans-59.6-48.4173.3169.80000110.7L343 G349 D350 M355 A356 L357 R389L343-V353 HydrophobicContact CD2-CG2 3.54Å; G349-V353 WeakPolarHBondContact O-CG2 3.35Å; G349-V353 PolarHBondContact O-N 2.89Å; D350-V353 PolarHBondContact O-N 2.95Å; V353-M355 VanDerWaalsContact C-N 3.33Å; V353-M355 PolarHBondContact O-N 2.96Å; V353-A356 PolarHBondContact O-N 3.33Å; V353-L357 HydrophobicContact CG1-CD1 3.78Å; V353-L357 HydrophobicContact CG1-CG 4.29Å; V353-L357 WeakPolarHBondContact O-CB 3.42Å; V353-L357 VanDerWaalsContact O-CG 3.28Å; V353-L357 WeakPolarHBondContact O-CG 3.37Å; V353-L357 PolarHBondContact O-N 3.24Å; V353-R389 HydrophobicContact CG1-CB 3.76Å
354A98.1Very high97.3Very high58 Ų5858.5 Ų58.548%0.47932%0.32SS..Hα-helixtrans-60.4-42.7179.600000112D350 K351 L357 A358D350-A354 WeakPolarHBondContact O-CB 3.28Å; D350-A354 PolarHBondContact O-N 2.68Å; K351-A354 PolarHBondContact O-N 2.91Å; A354-L357 PolarHBondContact O-N 3.17Å; A354-A358 WeakPolarHBondContact O-CB 3.36Å; A354-A358 PolarHBondContact O-N 2.76Å
355M97.8Very high97.4Very high46 Ų4656.4 Ų56.423%0.22731%0.309CS..Hα-helixtrans-61.5-47.1176.5-177.2-18065.400111.9Y341 K351 T352 V353 L357 A358 E359 F363 L399Y341-M355 HydrophobicContact CD1-CE 4.21Å; Y341-M355 HydrophobicContact CD2-CE 3.97Å; Y341-M355 HydrophobicContact CE1-CE 4.22Å; Y341-M355 HydrophobicContact CE2-CE 3.97Å; Y341-M355 HydrophobicContact CG-CE 4.09Å; K351-M355 WeakPolarHBondContact O-CB 3.41Å; K351-M355 PolarHBondContact O-N 3.24Å; T352-M355 PolarHBondContact O-N 2.94Å; V353-M355 VanDerWaalsContact C-N 3.33Å; V353-M355 PolarHBondContact O-N 2.96Å; M355-L357 PolarHBondContact O-N 2.89Å; M355-A358 PolarHBondContact O-N 3.4Å; M355-E359 PolarHBondContact O-N 2.94Å; M355-F363 HydrophobicContact CE-CD1 4.48Å; M355-F363 HydrophobicContact CE-CE1 3.57Å; M355-F363 HydrophobicContact CE-CE2 4.32Å; M355-F363 HydrophobicContact CE-CZ 3.48Å; M355-F363 VanDerWaalsContact CE-CZ 3.48Å; M355-F363 HydrophobicContact CG-CE2 3.77Å; M355-F363 HydrophobicContact CG-CZ 3.51Å; M355-F363 HydrophobicContact SD-CE1 4.15Å; M355-F363 HydrophobicContact SD-CE2 4.41Å; M355-F363 HydrophobicContact SD-CZ 3.56Å; M355-F363 VanDerWaalsContact SD-CZ 3.56Å; M355-L399 HydrophobicContact CE-CD2 3.78Å
356A97.6Very high97.5Very high0 Ų052 Ų520%029%0.287CS..Hα-helixtrans-65.7-36.1178.500000113.2T352 V353 P360 F363 I381 L385 L399T352-A356 WeakPolarHBondContact O-CB 3.41Å; T352-A356 PolarHBondContact O-N 2.97Å; V353-A356 PolarHBondContact O-N 3.33Å; A356-P360 WeakPolarHBondContact O-CA 3.41Å; A356-P360 WeakPolarHBondContact O-CB 3.37Å; A356-P360 WeakPolarHBondContact O-CD 3.45Å; A356-F363 HydrophobicContact CB-CD2 4.45Å; A356-I381 HydrophobicContact CB-CG2 4.2Å; A356-L385 HydrophobicContact CB-CD1 3.4Å; A356-L385 VanDerWaalsContact CB-CD1 3.4Å; A356-L399 HydrophobicContact CB-CD1 3.75Å; A356-L399 HydrophobicContact CB-CD2 3.73Å; A356-L399 HydrophobicContact CB-CG 4.4Å
357L97.6Very high97.5Very high43 Ų4351.6 Ų51.623%0.22528%0.28CS..Hα-helixtrans-70.3-32.8176.3-71.9175.1000112.6V353 A354 M355 V382 L385 R386V353-L357 HydrophobicContact CG1-CD1 3.78Å; V353-L357 HydrophobicContact CG1-CG 4.29Å; V353-L357 WeakPolarHBondContact O-CB 3.42Å; V353-L357 VanDerWaalsContact O-CG 3.28Å; V353-L357 WeakPolarHBondContact O-CG 3.37Å; V353-L357 PolarHBondContact O-N 3.24Å; A354-L357 PolarHBondContact O-N 3.17Å; M355-L357 PolarHBondContact O-N 2.89Å; L357-V382 HydrophobicContact CD2-CB 4.37Å; L357-V382 HydrophobicContact CD2-CG1 3.96Å; L357-L385 HydrophobicContact CD2-CB 3.9Å; L357-L385 HydrophobicContact CG-CB 4.38Å; L357-R386 HydrophobicContact CD2-CG 4.16Å
358A97.9Very high97.3Very high76 Ų7646.4 Ų46.463%0.62825%0.245SC*.Hα-helixtrans-74.9-43.1178.900000112.2A354 M355A354-A358 WeakPolarHBondContact O-CB 3.36Å; A354-A358 PolarHBondContact O-N 2.76Å; M355-A358 PolarHBondContact O-N 3.4Å
359E97Very high97.2Very high93 Ų9344 Ų4444%0.43523%0.232SC..  trans-133.862.1-173.7-62.2179.4-113.100112.4M355 N361 R362 F363M355-E359 PolarHBondContact O-N 2.94Å; E359-N361 PolarHBondContact O-N 3.25Å; E359-N361 VanDerWaalsContact O-N 3.07Å; E359-R362 HydrophobicContact CB-CG 4.34Å; E359-R362 WeakPolarHBondContact O-CB 3.49Å; E359-R362 PolarHBondContact O-N 3.22Å; E359-R362 VanDerWaalsContact O-N 3.08Å; E359-R362 IonicContact OE1-NH1 2.84Å; E359-R362 PolarHBondContact OE1-NH1 2.72Å; E359-R362 WeakPolarHBondContact OE2-CD 3.35Å; E359-R362 IonicContact OE2-CZ 3.41Å; E359-R362 IonicContact OE2-NE 3.72Å; E359-R362 IonicContact OE2-NH1 3.24Å; E359-R362 PolarHBondContact OE2-NH1 2.92Å; E359-F363 VanDerWaalsContact O-CD2 3.28Å; E359-F363 WeakPolarHBondContact O-CD2 3.23Å; E359-F363 WeakPolarHBondContact O-CE2 3.33Å
360P96.8Very high96.8Very high21 Ų2144.9 Ų44.914%0.13624%0.236CC..G310 helixtrans-62-24.8-170.525.3-36.7000114.3A356 R362 F363 G378 I381 V382A356-P360 WeakPolarHBondContact O-CA 3.41Å; A356-P360 WeakPolarHBondContact O-CB 3.37Å; A356-P360 WeakPolarHBondContact O-CD 3.45Å; P360-R362 PolarHBondContact O-N 3.21Å; P360-F363 PolarHBondContact O-N 3.29Å; P360-G378 WeakPolarHBondContact CB-O 3.39Å; P360-I381 HydrophobicContact CB-CB 4.35Å; P360-V382 HydrophobicContact CB-CG2 3.77Å; P360-V382 HydrophobicContact CG-CG2 3.67Å
361N95.6Very high95.8Very high119 Ų11942.8 Ų42.864%0.63623%0.233SC*.G310 helixtrans-72.2-15.1-179.8-68.2-34.4000113.7E359 F363 K402E359-N361 PolarHBondContact O-N 3.25Å; E359-N361 VanDerWaalsContact O-N 3.07Å; N361-F363 VanDerWaalsContact C-N 3.29Å; N361-K402 WeakPolarHBondContact O-CD 3.45Å
362R96Very high94.9Very high118 Ų11836.5 Ų36.545%0.44522%0.215SC..G310 helixtrans-81.7-8.5175.4-73.2174.957.5-166.8-6113.4E359 P360 K402E359-R362 HydrophobicContact CB-CG 4.34Å; E359-R362 WeakPolarHBondContact O-CB 3.49Å; E359-R362 PolarHBondContact O-N 3.22Å; E359-R362 VanDerWaalsContact O-N 3.08Å; E359-R362 IonicContact OE1-NH1 2.84Å; E359-R362 PolarHBondContact OE1-NH1 2.72Å; E359-R362 WeakPolarHBondContact OE2-CD 3.35Å; E359-R362 IonicContact OE2-CZ 3.41Å; E359-R362 IonicContact OE2-NE 3.72Å; E359-R362 IonicContact OE2-NH1 3.24Å; E359-R362 PolarHBondContact OE2-NH1 2.92Å; P360-R362 PolarHBondContact O-N 3.21Å; R362-K402 WeakPolarHBondContact O-CB 3.41Å; R362-K402 PolarHBondContact O-N 2.92Å
363F97.7Very high94.2Very high1 Ų138.9 Ų38.90%0.00424%0.241CC..EExtended strand (participates in β ladder)trans-128.2163.5-168.9-56.8-71.7000113.3Y341 M355 A356 E359 P360 N361 I381 L399 M400 D401Y341-F363 HydrophobicContact CD2-CE1 4.5Å; Y341-F363 HydrophobicContact CE2-CD1 4.4Å; Y341-F363 AromaticContact CE2-CE1 3.94Å; Y341-F363 HydrophobicContact CE2-CE1 3.94Å; M355-F363 HydrophobicContact CE-CD1 4.48Å; M355-F363 HydrophobicContact CE-CE1 3.57Å; M355-F363 HydrophobicContact CE-CE2 4.32Å; M355-F363 HydrophobicContact CE-CZ 3.48Å; M355-F363 VanDerWaalsContact CE-CZ 3.48Å; M355-F363 HydrophobicContact CG-CE2 3.77Å; M355-F363 HydrophobicContact CG-CZ 3.51Å; M355-F363 HydrophobicContact SD-CE1 4.15Å; M355-F363 HydrophobicContact SD-CE2 4.41Å; M355-F363 HydrophobicContact SD-CZ 3.56Å; M355-F363 VanDerWaalsContact SD-CZ 3.56Å; A356-F363 HydrophobicContact CB-CD2 4.45Å; E359-F363 VanDerWaalsContact O-CD2 3.28Å; E359-F363 WeakPolarHBondContact O-CD2 3.23Å; E359-F363 WeakPolarHBondContact O-CE2 3.33Å; P360-F363 PolarHBondContact O-N 3.29Å; N361-F363 VanDerWaalsContact C-N 3.29Å; F363-I381 HydrophobicContact CB-CD1 4.31Å; F363-I381 WeakPolarHBondContact O-CD1 3.36Å; F363-L399 HydrophobicContact CB-CD1 3.62Å; F363-L399 HydrophobicContact CB-CD2 4.23Å; F363-L399 HydrophobicContact CB-CG 3.88Å; F363-L399 HydrophobicContact CD1-CD2 3.63Å; F363-L399 HydrophobicContact CD1-CG 3.88Å; F363-L399 HydrophobicContact CD2-CD2 4.19Å; F363-L399 HydrophobicContact CE1-CD2 4.04Å; F363-L399 HydrophobicContact CG-CD1 4.06Å; F363-L399 HydrophobicContact CG-CD2 3.73Å; F363-L399 HydrophobicContact CG-CG 3.91Å; F363-L399 HydrophobicContact CZ-CD2 4.48Å; F363-M400 CarbonylContact C-O 3.52Å; F363-M400 VanDerWaalsContact CA-O 3.23Å; F363-M400 WeakPolarHBondContact CA-O 3.4Å; F363-D401 WeakPolarHBondContact CE1-OD1 3.4Å
364V97.9Very high93.9Very high10 Ų1040.8 Ų40.86%0.06125%0.25CS..EExtended strand (participates in β ladder)trans-123.9127.5165.3-171.60000107.2K366 N375 Y377 M400 K402V364-K366 HydrophobicContact CG1-CG 3.98Å; V364-N375 HydrophobicContact CG1-CB 3.82Å; V364-Y377 HydrophobicContact CB-CD1 4.38Å; V364-Y377 HydrophobicContact CB-CE1 4.06Å; V364-Y377 HydrophobicContact CG1-CD1 4.04Å; V364-Y377 HydrophobicContact CG1-CE1 3.51Å; V364-Y377 HydrophobicContact CG1-CE2 4.42Å; V364-Y377 HydrophobicContact CG2-CD1 3.84Å; V364-Y377 HydrophobicContact CG2-CE1 3.44Å; V364-Y377 VanDerWaalsContact CG2-CE1 3.44Å; V364-M400 PolarHBondContact N-O 3.34Å; V364-M400 PolarHBondContact O-N 3.23Å; V364-K402 HydrophobicContact CG2-CB 3.97Å; V364-K402 HydrophobicContact CG2-CG 4.07Å
365L98.3Very high93.6Very high0 Ų039.7 Ų39.70%024%0.237CC..EExtended strand (participates in β ladder)trans-94.7121.2172.7-179.375.6000108L343 I376 I381 V384 L385 Y397 L399L343-L365 HydrophobicContact CD1-CD1 3.36Å; L365-I376 HydrophobicContact CB-CB 4.1Å; L365-I376 HydrophobicContact CD2-CB 4.35Å; L365-I376 HydrophobicContact CD2-CD1 3.95Å; L365-I376 HydrophobicContact CD2-CG2 4.41Å; L365-I376 HydrophobicContact CG-CD1 4.45Å; L365-I376 PolarHBondContact N-O 3.3Å; L365-I376 PolarHBondContact O-N 2.91Å; L365-I381 HydrophobicContact CB-CD1 4.18Å; L365-I381 HydrophobicContact CB-CG1 3.87Å; L365-I381 HydrophobicContact CB-CG2 4.47Å; L365-V384 HydrophobicContact CD2-CB 4.17Å; L365-V384 HydrophobicContact CD2-CG1 3.79Å; L365-L385 HydrophobicContact CD1-CD2 4.23Å; L365-L385 HydrophobicContact CD2-CD2 4.34Å; L365-L385 HydrophobicContact CD2-CG 4.46Å; L365-Y397 HydrophobicContact CD1-CD1 4.33Å; L365-Y397 HydrophobicContact CD1-CG 4.13Å; L365-Y397 HydrophobicContact CD2-CD1 4.1Å; L365-Y397 HydrophobicContact CD2-CE1 4.48Å; L365-Y397 HydrophobicContact CD2-CG 4.39Å; L365-Y397 HydrophobicContact CG-CD1 3.87Å; L365-Y397 HydrophobicContact CG-CG 4.17Å; L365-L399 HydrophobicContact CB-CD1 4.46Å; L365-L399 HydrophobicContact CD1-CD1 4.27Å
366K98.1Very high93.6Very high4 Ų438.9 Ų38.92%0.01723%0.233CC..EExtended strand (participates in β ladder)trans-117.5121.6-172.9-54.3-168174.4-176.10111.3I144 K307 V364 N375 Y397 I398 M400I144-K366 PolarHBondContact O-NZ 3.32Å; K307-K366 HydrophobicContact CD-CD 4.34Å; K307-K366 HydrophobicContact CG-CB 4.38Å; V364-K366 HydrophobicContact CG1-CG 3.98Å; K366-N375 WeakPolarHBondContact CG-OD1 3.14Å; K366-Y397 VanDerWaalsContact O-CA 3.29Å; K366-Y397 WeakPolarHBondContact O-CA 3.44Å; K366-I398 HydrophobicContact CB-CD1 4.49Å; K366-I398 HydrophobicContact CB-CG1 3.91Å; K366-I398 HydrophobicContact CD-CD1 4.49Å; K366-I398 PolarHBondContact N-O 3.34Å; K366-I398 PolarHBondContact O-N 3.26Å; K366-M400 HydrophobicContact CD-SD 4.39Å; K366-M400 WeakPolarHBondContact CE-SD 3.43Å; K366-M400 PolarHBondContact NZ-SD 2.95Å
367P96.8Very high93.4Very high17 Ų1741.2 Ų41.211%0.1124%0.242CC..EExtended strand (participates in β ladder)trans-75.6171.2167.133.2-34.7000111.2R369 N374 Y397P367-R369 HydrophobicContact CB-CG 4.28Å; P367-R369 HydrophobicContact CG-CB 4.36Å; P367-R369 HydrophobicContact CG-CG 4.15Å; P367-R369 PolarHBondContact O-N 3.47Å; P367-N374 WeakPolarHBondContact CD-O 3.16Å; P367-N374 HydrophobicContact CG-CB 3.84Å; P367-N374 VanDerWaalsContact CG-O 3.3Å; P367-N374 WeakPolarHBondContact CG-O 3.26Å; P367-Y397 HydrophobicContact CB-CD1 3.97Å; P367-Y397 HydrophobicContact CB-CE1 3.88Å
368Q93.9Very high93.3Very high7 Ų739.7 Ų39.73%0.03324%0.237CC..SBendtrans-77.763.4174.5-50.1-45.2-48.200112.3T94 K307 A396T94-Q368 HydrophobicContact CG2-CG 3.55Å; K307-Q368 VanDerWaalsContact N-OE1 3.17Å; Q368-A396 PolarHBondContact N-O 3.08Å; Q368-A396 PolarHBondContact NE2-O 3.31Å; Q368-A396 VanDerWaalsContact NE2-O 3.07Å
369R94.7Very high93.2Very high53 Ų5340.3 Ų40.320%0.224%0.236CC..  trans-131.7156.8-178.8-61.6-64.7177.6-88.4-4111D98 M272 P367 N374D98-R369 VanDerWaalsContact CG-NH1 3.27Å; D98-R369 IonicContact OD1-CZ 2.82Å; D98-R369 IonicContact OD1-NH1 2.78Å; D98-R369 PolarHBondContact OD1-NH1 3.43Å; D98-R369 IonicContact OD2-CZ 3.32Å; D98-R369 IonicContact OD2-NH1 3.49Å; D98-R369 PolarHBondContact OD2-NH1 3.07Å; D98-R369 IonicContact OD2-NH2 2.82Å; D98-R369 PolarHBondContact OD2-NH2 3.16Å; M272-R369 HydrophobicContact CE-CB 4.06Å; M272-R369 HydrophobicContact CE-CG 4.31Å; M272-R369 HydrophobicContact SD-CB 3.8Å; M272-R369 HydrophobicContact SD-CG 4.34Å; P367-R369 HydrophobicContact CB-CG 4.28Å; P367-R369 HydrophobicContact CG-CB 4.36Å; P367-R369 HydrophobicContact CG-CG 4.15Å; P367-R369 PolarHBondContact O-N 3.47Å; R369-N374 HydrophobicContact CB-CB 3.82Å; R369-N374 WeakPolarHBondContact CB-ND2 3.48Å; R369-N374 HydrophobicContact CG-CB 4.38Å
370E88.5Confident93.2Very high19 Ų1940.4 Ų40.49%0.08924%0.237CC..  trans-119.5174.6179.7-67.6-57.4145.600111.2I149 Y271 M272 K307 G372 N374I149-E370 HydrophobicContact CG2-CG 4.48Å; Y271-E370 HydrophobicContact CD2-CB 3.94Å; M272-E370 PolarHBondContact SD-N 3.23Å; M272-E370 VanDerWaalsContact SD-N 3.43Å; K307-E370 VanDerWaalsContact NZ-CD 3.27Å; K307-E370 IonicContact NZ-OE1 2.7Å; K307-E370 PolarHBondContact NZ-OE1 3.01Å; K307-E370 IonicContact NZ-OE2 3.67Å; K307-E370 PolarHBondContact NZ-OE2 3.41Å; E370-G372 PolarHBondContact O-N 2.9Å; E370-N374 PolarHBondContact O-ND2 3.01Å; E370-N374 VanDerWaalsContact O-ND2 3.1Å
371G77.6Confident93.2Very high36 Ų3639.4 Ų39.437%0.37123%0.23SC..SBendtrans83.43.5170.100000116.6
372G79.5Confident93.3Very high31 Ų3134.9 Ų34.932%0.3221%0.207SC..SBendtrans76.2159.1178.400000114.2E370 N374E370-G372 PolarHBondContact O-N 2.9Å; G372-N374 PolarHBondContact O-ND2 3.4Å
373G83.6Confident93.4Very high57 Ų5734.8 Ų34.859%0.58821%0.21SC*.SBendtrans89.35.4178.300000115.4D460G373-D460 WeakPolarHBondContact CA-OD2 3.21Å; G373-D460 PolarHBondContact N-OD2 2.98Å
374N90Very high93.3Very high47 Ų4735.8 Ų35.825%0.25122%0.216SC..  trans-108.2-10-175.2-54.4-70.8000113.4M272 P367 R369 E370 G372 D460M272-N374 WeakPolarHBondContact CE-OD1 3.33Å; P367-N374 WeakPolarHBondContact CD-O 3.16Å; P367-N374 HydrophobicContact CG-CB 3.84Å; P367-N374 VanDerWaalsContact CG-O 3.3Å; P367-N374 WeakPolarHBondContact CG-O 3.26Å; R369-N374 HydrophobicContact CB-CB 3.82Å; R369-N374 WeakPolarHBondContact CB-ND2 3.48Å; R369-N374 HydrophobicContact CG-CB 4.38Å; E370-N374 PolarHBondContact O-ND2 3.01Å; E370-N374 VanDerWaalsContact O-ND2 3.1Å; G372-N374 PolarHBondContact O-ND2 3.4Å; N374-D460 PolarHBondContact N-OD2 3.32Å; N374-D460 VanDerWaalsContact N-OD2 3.13Å
375N93.6Very high93.3Very high36 Ų3635.3 Ų35.319%0.19321%0.213CC..  trans-78.7145.7-174.3-68.2-31.4000111.1V364 K366 Y377 D460V364-N375 HydrophobicContact CG1-CB 3.82Å; K366-N375 WeakPolarHBondContact CG-OD1 3.14Å; N375-Y377 HydrophobicContact CB-CD2 4.39Å; N375-Y377 HydrophobicContact CB-CE2 3.42Å; N375-Y377 VanDerWaalsContact CB-CE2 3.42Å; N375-Y377 WeakPolarHBondContact CB-OH 3.5Å; N375-Y377 PolarHBondContact ND2-OH 2.88Å; N375-Y377 WeakPolarHBondContact O-CE2 3.49Å; N375-D460 PolarHBondContact N-OD2 3.44Å
376I96Very high93.3Very high29 Ų2943.5 Ų43.515%0.14924%0.244CC..EExtended strand (participates in β ladder)trans-113.4135.1-176.9-58.3155.9000108.9L365 E380 I381 V384 Y397L365-I376 HydrophobicContact CB-CB 4.1Å; L365-I376 HydrophobicContact CD2-CB 4.35Å; L365-I376 HydrophobicContact CD2-CD1 3.95Å; L365-I376 HydrophobicContact CD2-CG2 4.41Å; L365-I376 HydrophobicContact CG-CD1 4.45Å; L365-I376 PolarHBondContact N-O 3.3Å; L365-I376 PolarHBondContact O-N 2.91Å; I376-E380 HydrophobicContact CG2-CB 3.61Å; I376-I381 HydrophobicContact CG2-CG1 3.94Å; I376-I381 WeakPolarHBondContact O-CD1 3.4Å; I376-I381 WeakPolarHBondContact O-CG1 3.46Å; I376-V384 HydrophobicContact CD1-CG2 4.21Å; I376-V384 HydrophobicContact CG2-CG2 4.45Å; I376-Y397 HydrophobicContact CD1-CD1 4.36Å; I376-Y397 HydrophobicContact CD1-CE1 3.75Å
377Y94.9Very high93.2Very high49 Ų4949.7 Ų49.719%0.19227%0.273CS..EExtended strand (participates in β ladder)trans-133.7154.3-171.3-57.8-94.8000112V364 N375 S379 E380 A459 D460V364-Y377 HydrophobicContact CB-CD1 4.38Å; V364-Y377 HydrophobicContact CB-CE1 4.06Å; V364-Y377 HydrophobicContact CG1-CD1 4.04Å; V364-Y377 HydrophobicContact CG1-CE1 3.51Å; V364-Y377 HydrophobicContact CG1-CE2 4.42Å; V364-Y377 HydrophobicContact CG2-CD1 3.84Å; V364-Y377 HydrophobicContact CG2-CE1 3.44Å; V364-Y377 VanDerWaalsContact CG2-CE1 3.44Å; N375-Y377 HydrophobicContact CB-CD2 4.39Å; N375-Y377 HydrophobicContact CB-CE2 3.42Å; N375-Y377 VanDerWaalsContact CB-CE2 3.42Å; N375-Y377 WeakPolarHBondContact CB-OH 3.5Å; N375-Y377 PolarHBondContact ND2-OH 2.88Å; N375-Y377 WeakPolarHBondContact O-CE2 3.49Å; Y377-S379 PolarHBondContact O-N 3.1Å; Y377-E380 PolarHBondContact O-N 3.2Å; Y377-A459 HydrophobicContact CD1-CB 4.17Å; Y377-A459 HydrophobicContact CD2-CB 3.6Å; Y377-A459 HydrophobicContact CE1-CB 4.38Å; Y377-A459 HydrophobicContact CE2-CB 3.86Å; Y377-A459 HydrophobicContact CG-CB 3.77Å; Y377-A459 VanDerWaalsContact CZ-O 3.32Å; Y377-A459 PolarHBondContact OH-O 3.42Å; Y377-D460 HydrophobicContact CE2-CB 4.18Å
378G94.6Very high93.2Very high11 Ų1149.5 Ų49.511%0.11327%0.271CS..THydrogen-bonded Turntrans55.9-13216700000113.6P360 E380 I381P360-G378 WeakPolarHBondContact CB-O 3.39Å; G378-E380 PolarHBondContact O-N 3.41Å; G378-I381 WeakPolarHBondContact O-CB 3.43Å; G378-I381 PolarHBondContact O-N 3.15Å
379S95.3Very high93.2Very high88 Ų8855.7 Ų55.762%0.61530%0.295SS*.Hα-helixtrans-58.9-29.1-177.554.50000114Y377 I381 V382 K383Y377-S379 PolarHBondContact O-N 3.1Å; S379-I381 VanDerWaalsContact C-N 3.3Å; S379-I381 PolarHBondContact O-N 3.45Å; S379-V382 WeakPolarHBondContact O-CB 3.29Å; S379-V382 PolarHBondContact O-N 3.12Å; S379-V382 VanDerWaalsContact O-N 3.15Å; S379-K383 PolarHBondContact O-N 3.04Å; S379-K383 VanDerWaalsContact O-N 3.12Å
380E97Very high93.1Very high95 Ų9556.4 Ų56.444%0.44432%0.318SS..Hα-helixtrans-68.6-29.5178-65.3-55.9114.700111.9I376 Y377 G378 V382 K383 V384I376-E380 HydrophobicContact CG2-CB 3.61Å; Y377-E380 PolarHBondContact O-N 3.2Å; G378-E380 PolarHBondContact O-N 3.41Å; E380-V382 VanDerWaalsContact C-N 3.29Å; E380-V382 PolarHBondContact O-N 3.29Å; E380-K383 PolarHBondContact O-N 3.29Å; E380-V384 WeakPolarHBondContact O-CG2 3.43Å; E380-V384 PolarHBondContact O-N 3.2Å
381I97.8Very high93.5Very high0 Ų057.2 Ų57.20%033%0.326CS..Hα-helixtrans-59.5-45.1171.1-64.8178.7000109.5A356 P360 F363 L365 I376 G378 S379 K383 V384 L385A356-I381 HydrophobicContact CB-CG2 4.2Å; P360-I381 HydrophobicContact CB-CB 4.35Å; F363-I381 HydrophobicContact CB-CD1 4.31Å; F363-I381 WeakPolarHBondContact O-CD1 3.36Å; L365-I381 HydrophobicContact CB-CD1 4.18Å; L365-I381 HydrophobicContact CB-CG1 3.87Å; L365-I381 HydrophobicContact CB-CG2 4.47Å; I376-I381 HydrophobicContact CG2-CG1 3.94Å; I376-I381 WeakPolarHBondContact O-CD1 3.4Å; I376-I381 WeakPolarHBondContact O-CG1 3.46Å; G378-I381 WeakPolarHBondContact O-CB 3.43Å; G378-I381 PolarHBondContact O-N 3.15Å; S379-I381 VanDerWaalsContact C-N 3.3Å; S379-I381 PolarHBondContact O-N 3.45Å; I381-K383 VanDerWaalsContact C-N 3.33Å; I381-K383 PolarHBondContact O-N 2.93Å; I381-V384 PolarHBondContact O-N 2.98Å; I381-L385 HydrophobicContact CG2-CD1 3.64Å; I381-L385 HydrophobicContact CG2-CG 4.12Å; I381-L385 WeakPolarHBondContact O-CB 3.41Å; I381-L385 WeakPolarHBondContact O-CG 3.36Å; I381-L385 PolarHBondContact O-N 3.01Å
382V97.6Very high94.4Very high25 Ų2559 Ų5915%0.15233%0.329CS..Hα-helixtrans-63.2-42.6-179.1-179.50000111L357 P360 S379 E380 R386L357-V382 HydrophobicContact CD2-CB 4.37Å; L357-V382 HydrophobicContact CD2-CG1 3.96Å; P360-V382 HydrophobicContact CB-CG2 3.77Å; P360-V382 HydrophobicContact CG-CG2 3.67Å; S379-V382 WeakPolarHBondContact O-CB 3.29Å; S379-V382 PolarHBondContact O-N 3.12Å; S379-V382 VanDerWaalsContact O-N 3.15Å; E380-V382 VanDerWaalsContact C-N 3.29Å; E380-V382 PolarHBondContact O-N 3.29Å; V382-R386 HydrophobicContact CG1-CG 4.43Å; V382-R386 WeakPolarHBondContact O-CB 3.22Å; V382-R386 WeakPolarHBondContact O-CG 3.41Å; V382-R386 PolarHBondContact O-N 3.38Å
383K97.4Very high95.2Very high116 Ų11662.7 Ų62.750%0.50434%0.339SS..Hα-helixtrans-60.4-55.4177.5-176.8-177.6171.8-168.70111S379 E380 I381 L385 R386 E387S379-K383 PolarHBondContact O-N 3.04Å; S379-K383 VanDerWaalsContact O-N 3.12Å; E380-K383 PolarHBondContact O-N 3.29Å; I381-K383 VanDerWaalsContact C-N 3.33Å; I381-K383 PolarHBondContact O-N 2.93Å; K383-L385 PolarHBondContact O-N 3.03Å; K383-R386 PolarHBondContact O-N 3.44Å; K383-E387 PolarHBondContact O-N 3.15Å
384V97.4Very high95.8Very high22 Ų2260.1 Ų60.113%0.13331%0.311CS..Hα-helixtrans-60.1-50-178.8172.20000111L365 I376 E380 I381 R386 E387 V388 Y397L365-V384 HydrophobicContact CD2-CB 4.17Å; L365-V384 HydrophobicContact CD2-CG1 3.79Å; I376-V384 HydrophobicContact CD1-CG2 4.21Å; I376-V384 HydrophobicContact CG2-CG2 4.45Å; E380-V384 WeakPolarHBondContact O-CG2 3.43Å; E380-V384 PolarHBondContact O-N 3.2Å; I381-V384 PolarHBondContact O-N 2.98Å; V384-R386 VanDerWaalsContact C-N 3.3Å; V384-R386 PolarHBondContact O-N 3.01Å; V384-E387 WeakPolarHBondContact O-CB 3.39Å; V384-E387 PolarHBondContact O-N 3.18Å; V384-E387 VanDerWaalsContact O-N 3.1Å; V384-V388 HydrophobicContact CG1-CG2 4.39Å; V384-V388 WeakPolarHBondContact O-CG2 3.33Å; V384-V388 PolarHBondContact O-N 2.89Å; V384-Y397 HydrophobicContact CG1-CE2 4.43Å
385L97.5Very high96.1Very high0 Ų058 Ų580%030%0.3CS..Hα-helixtrans-66.2-29.9-178.2-68.7-177000113L343 A356 L357 L365 I381 K383 E387 V388 R389L343-L385 HydrophobicContact CD1-CD2 4.25Å; L343-L385 HydrophobicContact CD2-CD2 4.32Å; A356-L385 HydrophobicContact CB-CD1 3.4Å; A356-L385 VanDerWaalsContact CB-CD1 3.4Å; L357-L385 HydrophobicContact CD2-CB 3.9Å; L357-L385 HydrophobicContact CG-CB 4.38Å; L365-L385 HydrophobicContact CD1-CD2 4.23Å; L365-L385 HydrophobicContact CD2-CD2 4.34Å; L365-L385 HydrophobicContact CD2-CG 4.46Å; I381-L385 HydrophobicContact CG2-CD1 3.64Å; I381-L385 HydrophobicContact CG2-CG 4.12Å; I381-L385 WeakPolarHBondContact O-CB 3.41Å; I381-L385 WeakPolarHBondContact O-CG 3.36Å; I381-L385 PolarHBondContact O-N 3.01Å; K383-L385 PolarHBondContact O-N 3.03Å; L385-E387 VanDerWaalsContact C-N 3.29Å; L385-E387 PolarHBondContact O-N 3.37Å; L385-V388 HydrophobicContact CD2-CG2 4.42Å; L385-R389 WeakPolarHBondContact O-CA 3.25Å; L385-R389 WeakPolarHBondContact O-CB 3.3Å; L385-R389 VanDerWaalsContact O-CG 3.31Å; L385-R389 WeakPolarHBondContact O-CG 3.42Å; L385-R389 PolarHBondContact O-N 3.45Å
386R96.6Very high96.2Very high171 Ų17157 Ų5765%0.64530%0.297SS*.Hα-helixtrans-65.5-34.4173.8-80.6176.4178.3-177.81.5112.5L357 V382 K383 V384L357-R386 HydrophobicContact CD2-CG 4.16Å; V382-R386 HydrophobicContact CG1-CG 4.43Å; V382-R386 WeakPolarHBondContact O-CB 3.22Å; V382-R386 WeakPolarHBondContact O-CG 3.41Å; V382-R386 PolarHBondContact O-N 3.38Å; K383-R386 PolarHBondContact O-N 3.44Å; V384-R386 VanDerWaalsContact C-N 3.3Å; V384-R386 PolarHBondContact O-N 3.01Å
387E96.8Very high96.3Very high134 Ų13458.1 Ų58.163%0.62630%0.299SS*.Hα-helixtrans-72.3-47.9177.2-66.7169.4-172.400110.7K383 V384 L385K383-E387 PolarHBondContact O-N 3.15Å; V384-E387 WeakPolarHBondContact O-CB 3.39Å; V384-E387 PolarHBondContact O-N 3.18Å; V384-E387 VanDerWaalsContact O-N 3.1Å; L385-E387 VanDerWaalsContact C-N 3.29Å; L385-E387 PolarHBondContact O-N 3.37Å
388V96.2Very high96.5Very high13 Ų1355.8 Ų55.88%0.07929%0.29CS..Hα-helixtrans-98.6-7.6-170.6-55.20000115.7V384 L385 G390 S391 E393 R394V384-V388 HydrophobicContact CG1-CG2 4.39Å; V384-V388 WeakPolarHBondContact O-CG2 3.33Å; V384-V388 PolarHBondContact O-N 2.89Å; L385-V388 HydrophobicContact CD2-CG2 4.42Å; V388-G390 PolarHBondContact O-N 2.6Å; V388-S391 PolarHBondContact O-N 3.01Å; V388-S391 VanDerWaalsContact O-O 3.08Å; V388-E393 HydrophobicContact CB-CB 4.37Å; V388-E393 HydrophobicContact CG1-CB 4.13Å; V388-R394 HydrophobicContact CB-CB 4.19Å; V388-R394 HydrophobicContact CG2-CB 3.72Å
389R94.1Very high96.7Very high138 Ų13855.2 Ų55.252%0.52129%0.285SS..THydrogen-bonded Turntrans-53.7-31.1-172.756.5-179.5-172.2172.35.4115.4V353 L385 R394V353-R389 HydrophobicContact CG1-CB 3.76Å; L385-R389 WeakPolarHBondContact O-CA 3.25Å; L385-R389 WeakPolarHBondContact O-CB 3.3Å; L385-R389 VanDerWaalsContact O-CG 3.31Å; L385-R389 WeakPolarHBondContact O-CG 3.42Å; L385-R389 PolarHBondContact O-N 3.45Å; R389-R394 PolarHBondContact O-NH1 2.72Å
390G94Very high96.8Very high68 Ų6851.2 Ų51.270%0.70126%0.256SS*.THydrogen-bonded Turntrans-98.20.9179.200000114.3V388V388-G390 PolarHBondContact O-N 2.6Å
391S96.4Very high96.9Very high36 Ų3648.3 Ų48.325%0.25224%0.244SC..SBendtrans-110.1150.6-176177.90000110V388 E393 R394V388-S391 PolarHBondContact O-N 3.01Å; V388-S391 VanDerWaalsContact O-O 3.08Å; S391-E393 PolarHBondContact O-N 2.98Å; S391-E393 WeakPolarHBondContact OG-CB 3.42Å; S391-E393 WeakPolarHBondContact OG-CG 3.49Å; S391-E393 PolarHBondContact OG-N 2.89Å; S391-E393 PolarHBondContact OG-OE2 2.76Å; S391-R394 VanDerWaalsContact O-CG 3.25Å; S391-R394 WeakPolarHBondContact O-CG 3.31Å; S391-R394 PolarHBondContact O-N 3.47Å
392T95.9Very high96.8Very high72 Ų7252.2 Ų52.244%0.44226%0.261SS..G310 helixtrans-62.7-21.4170.647.70000112M345 R394 T395M345-T392 HydrophobicContact CG-CG2 4.04Å; T392-R394 PolarHBondContact O-N 2.86Å; T392-T395 WeakPolarHBondContact O-CB 3.48Å; T392-T395 VanDerWaalsContact O-CG2 3.22Å; T392-T395 WeakPolarHBondContact O-CG2 3.39Å; T392-T395 PolarHBondContact O-N 2.7Å; T392-T395 PolarHBondContact O-OG1 3.4Å
393E96.4Very high96.6Very high109 Ų10951.8 Ų51.851%0.50926%0.257SS..G310 helixtrans-53.5-23177.1-69.3169.8151.200113.8V388 S391 T395 A396V388-E393 HydrophobicContact CB-CB 4.37Å; V388-E393 HydrophobicContact CG1-CB 4.13Å; S391-E393 PolarHBondContact O-N 2.98Å; S391-E393 WeakPolarHBondContact OG-CB 3.42Å; S391-E393 WeakPolarHBondContact OG-CG 3.49Å; S391-E393 PolarHBondContact OG-N 2.89Å; S391-E393 PolarHBondContact OG-OE2 2.76Å; E393-T395 PolarHBondContact O-N 2.82Å; E393-T395 VanDerWaalsContact O-N 3.17Å; E393-A396 WeakPolarHBondContact O-CB 3.46Å; E393-A396 PolarHBondContact O-N 3.47Å; E393-A396 VanDerWaalsContact O-N 3.17Å
394R96.7Very high96.4Very high3 Ų350.3 Ų50.31%0.01126%0.255CS..G310 helixtrans-61.4-20.1173.974.3-175.4-153.4-176.67.8113.5L343 D344 M345 D350 V388 R389 S391 T392 A396 Y397L343-R394 HydrophobicContact CB-CG 4.5Å; L343-R394 WeakPolarHBondContact CB-O 3.4Å; L343-R394 WeakPolarHBondContact O-CD 3.41Å; L343-R394 WeakPolarHBondContact O-CG 3.45Å; L343-R394 PolarHBondContact O-NE 3.19Å; D344-R394 PolarHBondContact O-NH2 2.97Å; M345-R394 VanDerWaalsContact CA-NH2 3.35Å; M345-R394 HydrophobicContact SD-CG 4.25Å; M345-R394 VanDerWaalsContact SD-CZ 3.52Å; M345-R394 PolarHBondContact SD-NE 3.38Å; D350-R394 IonicContact OD1-CZ 3.01Å; D350-R394 VanDerWaalsContact OD1-CZ 3.24Å; D350-R394 IonicContact OD1-NH1 3.97Å; D350-R394 PolarHBondContact OD1-NH1 3.46Å; D350-R394 IonicContact OD1-NH2 2.76Å; D350-R394 PolarHBondContact OD1-NH2 2.66Å; V388-R394 HydrophobicContact CB-CB 4.19Å; V388-R394 HydrophobicContact CG2-CB 3.72Å; R389-R394 PolarHBondContact O-NH1 2.72Å; S391-R394 VanDerWaalsContact O-CG 3.25Å; S391-R394 WeakPolarHBondContact O-CG 3.31Å; S391-R394 PolarHBondContact O-N 3.47Å; T392-R394 PolarHBondContact O-N 2.86Å; R394-A396 PolarHBondContact O-N 3.27Å; R394-Y397 PolarHBondContact O-N 2.8Å
395T96.3Very high96.1Very high4 Ų450.2 Ų50.23%0.02526%0.255CS..G310 helixtrans-74.3-8.9177.8690000113.5S93 T94 V97 D344 T392 E393 Y397S93-T395 PolarHBondContact O-OG1 3.2Å; T94-T395 PolarHBondContact OG1-O 2.95Å; V97-T395 WeakPolarHBondContact CG2-OG1 3.41Å; D344-T395 HydrophobicContact CB-CG2 4.4Å; T392-T395 WeakPolarHBondContact O-CB 3.48Å; T392-T395 VanDerWaalsContact O-CG2 3.22Å; T392-T395 WeakPolarHBondContact O-CG2 3.39Å; T392-T395 PolarHBondContact O-N 2.7Å; T392-T395 PolarHBondContact O-OG1 3.4Å; E393-T395 PolarHBondContact O-N 2.82Å; E393-T395 VanDerWaalsContact O-N 3.17Å; T395-Y397 PolarHBondContact O-N 3.3Å
396A95.9Very high95.7Very high14 Ų1452 Ų5212%0.11627%0.269CS..G310 helixtrans-67.7-16.5169.300000112.3V97 Q368 E393 R394V97-A396 HydrophobicContact CG2-CB 3.87Å; Q368-A396 PolarHBondContact N-O 3.08Å; Q368-A396 PolarHBondContact NE2-O 3.31Å; Q368-A396 VanDerWaalsContact NE2-O 3.07Å; E393-A396 WeakPolarHBondContact O-CB 3.46Å; E393-A396 PolarHBondContact O-N 3.47Å; E393-A396 VanDerWaalsContact O-N 3.17Å; R394-A396 PolarHBondContact O-N 3.27Å
397Y98.1Very high95.5Very high52 Ų5247 Ų4720%0.20426%0.26CS..EExtended strand (participates in β ladder)trans-116.6157.5-173.2-55.1-90.3000112.6L365 K366 P367 I376 V384 R394 T395L365-Y397 HydrophobicContact CD1-CD1 4.33Å; L365-Y397 HydrophobicContact CD1-CG 4.13Å; L365-Y397 HydrophobicContact CD2-CD1 4.1Å; L365-Y397 HydrophobicContact CD2-CE1 4.48Å; L365-Y397 HydrophobicContact CD2-CG 4.39Å; L365-Y397 HydrophobicContact CG-CD1 3.87Å; L365-Y397 HydrophobicContact CG-CG 4.17Å; K366-Y397 VanDerWaalsContact O-CA 3.29Å; K366-Y397 WeakPolarHBondContact O-CA 3.44Å; P367-Y397 HydrophobicContact CB-CD1 3.97Å; P367-Y397 HydrophobicContact CB-CE1 3.88Å; I376-Y397 HydrophobicContact CD1-CD1 4.36Å; I376-Y397 HydrophobicContact CD1-CE1 3.75Å; V384-Y397 HydrophobicContact CG1-CE2 4.43Å; R394-Y397 PolarHBondContact O-N 2.8Å; T395-Y397 PolarHBondContact O-N 3.3Å
398I98.5Very high95.3Very high0 Ų041.6 Ų41.60%023%0.234CC..EExtended strand (participates in β ladder)trans-118.2157.3159.563.5151.4000109.5K307 K308 Q311 L340 K366K307-I398 HydrophobicContact CB-CD1 3.82Å; K307-I398 HydrophobicContact CB-CG1 3.93Å; K307-I398 WeakPolarHBondContact O-CD1 3.17Å; K308-I398 HydrophobicContact CD-CG2 4.21Å; Q311-I398 HydrophobicContact CB-CB 4.16Å; Q311-I398 HydrophobicContact CB-CD1 4.12Å; Q311-I398 HydrophobicContact CB-CG2 3.67Å; Q311-I398 HydrophobicContact CG-CB 4.25Å; Q311-I398 HydrophobicContact CG-CG2 3.96Å; L340-I398 HydrophobicContact CD2-CD1 3.81Å; K366-I398 HydrophobicContact CB-CD1 4.49Å; K366-I398 HydrophobicContact CB-CG1 3.91Å; K366-I398 HydrophobicContact CD-CD1 4.49Å; K366-I398 PolarHBondContact N-O 3.34Å; K366-I398 PolarHBondContact O-N 3.26Å
399L98.6Very high95.2Very high0 Ų045.7 Ų45.70%025%0.253CS..EExtended strand (participates in β ladder)trans-105137.4168.4-166.480.7000109.2Y341 T352 M355 A356 F363 L365Y341-L399 HydrophobicContact CD2-CB 4.4Å; Y341-L399 HydrophobicContact CD2-CD2 4.22Å; Y341-L399 HydrophobicContact CD2-CG 4.5Å; Y341-L399 PolarHBondContact N-O 3.24Å; Y341-L399 PolarHBondContact O-N 3.09Å; Y341-L399 VanDerWaalsContact O-N 3.08Å; T352-L399 HydrophobicContact CG2-CB 3.79Å; T352-L399 HydrophobicContact CG2-CD2 3.57Å; T352-L399 HydrophobicContact CG2-CG 4.34Å; M355-L399 HydrophobicContact CE-CD2 3.78Å; A356-L399 HydrophobicContact CB-CD1 3.75Å; A356-L399 HydrophobicContact CB-CD2 3.73Å; A356-L399 HydrophobicContact CB-CG 4.4Å; F363-L399 HydrophobicContact CB-CD1 3.62Å; F363-L399 HydrophobicContact CB-CD2 4.23Å; F363-L399 HydrophobicContact CB-CG 3.88Å; F363-L399 HydrophobicContact CD1-CD2 3.63Å; F363-L399 HydrophobicContact CD1-CG 3.88Å; F363-L399 HydrophobicContact CD2-CD2 4.19Å; F363-L399 HydrophobicContact CE1-CD2 4.04Å; F363-L399 HydrophobicContact CG-CD1 4.06Å; F363-L399 HydrophobicContact CG-CD2 3.73Å; F363-L399 HydrophobicContact CG-CG 3.91Å; F363-L399 HydrophobicContact CZ-CD2 4.48Å; L365-L399 HydrophobicContact CB-CD1 4.46Å; L365-L399 HydrophobicContact CD1-CD1 4.27Å
400M98.6Very high95.3Very high3 Ų339.3 Ų39.32%0.01523%0.229CC..EExtended strand (participates in β ladder)trans-130.8142.8178.7-174.6-175.2174.900110.2Q143 A338 G339 L340 F363 V364 K366 K402 I403Q143-M400 WeakPolarHBondContact O-CE 3.48Å; A338-M400 HydrophobicContact CB-CE 3.67Å; G339-M400 CarbonylContact O-C 3.51Å; G339-M400 VanDerWaalsContact O-CA 3.29Å; G339-M400 WeakPolarHBondContact O-CA 3.39Å; L340-M400 HydrophobicContact CD2-CB 3.99Å; L340-M400 HydrophobicContact CD2-CG 3.68Å; L340-M400 HydrophobicContact CD2-SD 4.13Å; L340-M400 HydrophobicContact CG-CG 4.35Å; F363-M400 CarbonylContact C-O 3.52Å; F363-M400 VanDerWaalsContact CA-O 3.23Å; F363-M400 WeakPolarHBondContact CA-O 3.4Å; V364-M400 PolarHBondContact N-O 3.34Å; V364-M400 PolarHBondContact O-N 3.23Å; K366-M400 HydrophobicContact CD-SD 4.39Å; K366-M400 WeakPolarHBondContact CE-SD 3.43Å; K366-M400 PolarHBondContact NZ-SD 2.95Å; M400-K402 PolarHBondContact O-N 3.37Å; M400-I403 HydrophobicContact CE-CD1 4.01Å
401D97.4Very high95.4Very high34 Ų3437 Ų3718%0.18220%0.199CC..EExtended strand (participates in β ladder)trans-55.6130.4167.1-77.8-18.7000110A338 G339 Y341 F363 I403A338-D401 HydrophobicContact CB-CB 4.35Å; G339-D401 WeakPolarHBondContact CA-OD2 3.28Å; G339-D401 PolarHBondContact N-OD2 3.33Å; G339-D401 PolarHBondContact O-N 3.06Å; Y341-D401 WeakPolarHBondContact CE2-OD1 3.49Å; Y341-D401 PolarHBondContact OH-OD1 2.83Å; F363-D401 WeakPolarHBondContact CE1-OD1 3.4Å; D401-I403 PolarHBondContact O-N 2.82Å
402K95.6Very high95.5Very high83 Ų8336.3 Ų36.336%0.36119%0.193SC..PPolyproline II helixtrans-74118.8171.8-174-177176.5-171.50108.7N361 R362 V364 M400 N404N361-K402 WeakPolarHBondContact O-CD 3.45Å; R362-K402 WeakPolarHBondContact O-CB 3.41Å; R362-K402 PolarHBondContact O-N 2.92Å; V364-K402 HydrophobicContact CG2-CB 3.97Å; V364-K402 HydrophobicContact CG2-CG 4.07Å; M400-K402 PolarHBondContact O-N 3.37Å; K402-N404 PolarHBondContact O-ND2 2.95Å
403I94.9Very high95.5Very high15 Ų1533.1 Ų33.18%0.07717%0.173CC..PPolyproline II helixtrans-73.9137.5175-65.4156.5000109.5M130 D132 K142 I144 A338 M400 D401 P405M130-I403 HydrophobicContact CB-CB 4.31Å; M130-I403 HydrophobicContact CB-CD1 4.48Å; M130-I403 HydrophobicContact CB-CG2 3.54Å; D132-I403 HydrophobicContact CB-CG2 3.77Å; K142-I403 HydrophobicContact CB-CD1 3.42Å; K142-I403 VanDerWaalsContact CB-CD1 3.42Å; K142-I403 HydrophobicContact CB-CG1 3.74Å; K142-I403 HydrophobicContact CG-CG1 4.44Å; I144-I403 HydrophobicContact CD1-CD1 3.47Å; I144-I403 VanDerWaalsContact CD1-CD1 3.47Å; I144-I403 HydrophobicContact CG1-CD1 4.27Å; A338-I403 HydrophobicContact CB-CD1 4.5Å; A338-I403 HydrophobicContact CB-CG1 4.49Å; M400-I403 HydrophobicContact CE-CD1 4.01Å; D401-I403 PolarHBondContact O-N 2.82Å; I403-P405 VanDerWaalsContact C-CD 3.49Å; I403-P405 WeakPolarHBondContact O-CD 3.41Å
404N91.7Very high95.4Very high85 Ų8530 Ų3046%0.45516%0.157SC..  trans-115.582.5-175.7-58-73.3000110.7D132 Q133 K402D132-N404 PolarHBondContact OD1-N 2.83Å; Q133-N404 PolarHBondContact N-O 3.33Å; K402-N404 PolarHBondContact O-ND2 2.95Å
405P91.5Very high95.1Very high20 Ų2034.4 Ų34.413%0.1317%0.173CC..PPolyproline II helixtrans-73.6146.6173.528.8-31000111.7M130 L131 I403 P407 L425M130-P405 HydrophobicContact SD-CG 4.02Å; L131-P405 WeakPolarHBondContact O-CA 3.46Å; L131-P405 WeakPolarHBondContact O-CB 3.49Å; I403-P405 VanDerWaalsContact C-CD 3.49Å; I403-P405 WeakPolarHBondContact O-CD 3.41Å; P405-P407 WeakPolarHBondContact O-CD 3.48Å; P405-L425 HydrophobicContact CG-CB 4.14Å; P405-L425 HydrophobicContact CG-CD1 4.11Å; P405-L425 HydrophobicContact CG-CD2 3.92Å; P405-L425 HydrophobicContact CG-CG 4.26Å
406A89.4Confident94.7Very high37 Ų3741 Ų4131%0.30621%0.208SC..PPolyproline II helixtrans-65.5129170.500000110.9
407P92.1Very high94.4Very high68 Ų6842.9 Ų42.944%0.44222%0.22SC..PPolyproline II helixtrans-62.8143.2171-2031.7000112.2P405 N423 C424 L425P405-P407 WeakPolarHBondContact O-CD 3.48Å; P407-N423 HydrophobicContact CB-CB 4.17Å; P407-C424 WeakPolarHBondContact CA-O 3.43Å; P407-L425 HydrophobicContact CB-CD2 4.12Å; P407-L425 HydrophobicContact CG-CD2 3.94Å
408I92.4Very high94Very high19 Ų1945.3 Ų45.310%0.09724%0.243CC..EExtended strand (participates in β ladder)trans-123.6148.2171.755.8167.5000109.3S56 P57 N423 C424S56-I408 WeakPolarHBondContact OG-CD1 3.28Å; P57-I408 HydrophobicContact CG-CD1 4.39Å; P57-I408 HydrophobicContact CG-CG2 4.12Å; I408-N423 CarbonylContact O-C 3.54Å; I408-C424 HydrophobicContact CG1-CB 4.25Å; I408-C424 WeakPolarHBondContact CG1-O 3.37Å; I408-C424 PolarHBondContact N-O 3.08Å; I408-C424 WeakPolarHBondContact O-CA 3.13Å; I408-C424 WeakPolarHBondContact O-CB 3.29Å; I408-C424 PolarHBondContact O-N 3.26Å
409Q94.6Very high93.8Very high100 Ų10048.5 Ų48.547%0.46726%0.259SS..EExtended strand (participates in β ladder)trans-84.3134176.9-70.4-175.4-28.300111I421 S422Q409-I421 HydrophobicContact CB-CD1 3.95Å; Q409-I421 HydrophobicContact CB-CG1 4.03Å; Q409-I421 HydrophobicContact CG-CD1 4.36Å; Q409-I421 HydrophobicContact CG-CG1 4.46Å; Q409-S422 WeakPolarHBondContact CA-O 3.38Å
410N96.4Very high93.5Very high4 Ų452.3 Ų52.32%0.02128%0.283CS..EExtended strand (participates in β ladder)trans-153.9170.7174.6-148-33000111.1F54 S56 S422F54-N410 PolarHBondContact N-OD1 3.44Å; F54-N410 PolarHBondContact O-ND2 3.05Å; S56-N410 PolarHBondContact OG-ND2 3.08Å; N410-S422 PolarHBondContact N-O 3.01Å; N410-S422 PolarHBondContact O-N 3.18Å
411Y96.9Very high93.3Very high19 Ų1955 Ų558%0.07530%0.296CS..EExtended strand (participates in β ladder)trans-105.1124.5170.4-68.6-89.9000109.7M10 I16 T52 L53 L419 I421M10-Y411 HydrophobicContact CE-CD2 3.8Å; M10-Y411 HydrophobicContact CE-CE2 3.74Å; M10-Y411 WeakPolarHBondContact O-CE2 3.12Å; M10-Y411 PolarHBondContact O-OH 3.04Å; M10-Y411 HydrophobicContact SD-CE2 4.34Å; I16-Y411 HydrophobicContact CD1-CD2 4.2Å; I16-Y411 HydrophobicContact CD1-CE2 3.73Å; I16-Y411 HydrophobicContact CG1-CE2 3.9Å; I16-Y411 HydrophobicContact CG2-CD1 4.08Å; I16-Y411 HydrophobicContact CG2-CD2 4.21Å; I16-Y411 HydrophobicContact CG2-CE1 3.74Å; I16-Y411 HydrophobicContact CG2-CE2 3.9Å; I16-Y411 HydrophobicContact CG2-CG 4.3Å; T52-Y411 CarbonylContact C-O 3.53Å; T52-Y411 WeakPolarHBondContact CA-O 3.38Å; L53-Y411 HydrophobicContact CD2-CD2 4.02Å; L53-Y411 HydrophobicContact CD2-CG 4.24Å; L53-Y411 PolarHBondContact N-O 2.82Å; Y411-L419 HydrophobicContact CD1-CD1 3.69Å; Y411-L419 HydrophobicContact CD1-CG 3.95Å; Y411-L419 HydrophobicContact CE1-CD1 4.49Å; Y411-L419 HydrophobicContact CE1-CG 4.29Å; Y411-L419 HydrophobicContact CG-CD1 4.15Å; Y411-I421 HydrophobicContact CE1-CB 3.94Å; Y411-I421 VanDerWaalsContact CE1-N 3.32Å; Y411-I421 HydrophobicContact CE2-CB 4.39Å; Y411-I421 HydrophobicContact CE2-CG1 4.35Å
412L96.7Very high93.1Very high22 Ų2254.7 Ų54.712%0.11530%0.297CS..EExtended strand (participates in β ladder)trans-93.6105.1178.6-54-173.8000109.4T52 R414 T453 V469T52-L412 HydrophobicContact CG2-CD2 3.96Å; L412-R414 PolarHBondContact O-N 3.24Å; L412-T453 HydrophobicContact CD2-CG2 4.39Å; L412-V469 HydrophobicContact CB-CG1 4.27Å; L412-V469 HydrophobicContact CD2-CG2 3.77Å
413L97Very high93.1Very high5 Ų554.7 Ų54.73%0.02630%0.301CS..EExtended strand (participates in β ladder)trans-81.2109.5179.7-58.2-177.9000109.9A20 A23 Y48 P50 F51 L53 L419A20-L413 HydrophobicContact CB-CD2 4.04Å; A23-L413 HydrophobicContact CB-CD1 3.73Å; Y48-L413 HydrophobicContact CE2-CB 4.45Å; P50-L413 VanDerWaalsContact CA-O 3.3Å; P50-L413 WeakPolarHBondContact CA-O 3.42Å; F51-L413 HydrophobicContact CD1-CB 4.3Å; F51-L413 HydrophobicContact CD2-CD1 4.46Å; F51-L413 HydrophobicContact CE1-CB 4.11Å; F51-L413 HydrophobicContact CE1-CD1 3.99Å; F51-L413 HydrophobicContact CE2-CD1 3.71Å; F51-L413 HydrophobicContact CZ-CB 4.39Å; F51-L413 HydrophobicContact CZ-CD1 3.44Å; F51-L413 VanDerWaalsContact CZ-CD1 3.44Å; F51-L413 PolarHBondContact N-O 2.95Å; F51-L413 WeakPolarHBondContact O-CA 3.43Å; F51-L413 WeakPolarHBondContact O-CB 3.32Å; F51-L413 PolarHBondContact O-N 3.42Å; L53-L413 HydrophobicContact CB-CD1 4.28Å; L53-L413 HydrophobicContact CB-CG 4.34Å; L53-L413 HydrophobicContact CD1-CD1 4.03Å; L413-L419 HydrophobicContact CD2-CD1 3.6Å
414R94.6Very high93.1Very high44 Ų4454 Ų5417%0.16630%0.297CS..  trans-125.4150.4173-71.1178.4-162.8-74.1-0.5109.5Y48 P50 L412 D416 S417 G466 V467 A468 V469Y48-R414 PolarHBondContact OH-O 3.44Å; Y48-R414 VanDerWaalsContact OH-O 3.06Å; P50-R414 HydrophobicContact CB-CG 3.94Å; P50-R414 HydrophobicContact CG-CG 4.27Å; L412-R414 PolarHBondContact O-N 3.24Å; R414-D416 PolarHBondContact O-N 2.8Å; R414-S417 VanDerWaalsContact CB-OG 3.24Å; R414-S417 WeakPolarHBondContact CB-OG 3.23Å; R414-S417 PolarHBondContact O-N 2.77Å; R414-G466 PolarHBondContact NH1-O 3.39Å; R414-V467 VanDerWaalsContact NH2-C 3.32Å; R414-V467 PolarHBondContact NH2-O 2.69Å; R414-A468 PolarHBondContact NH1-O 3.18Å; R414-A468 PolarHBondContact NH2-O 3.4Å; R414-V469 HydrophobicContact CG-CG1 4.32Å
415R90.9Very high93.2Very high95 Ų9551.2 Ų51.236%0.35828%0.282SS..THydrogen-bonded Turntrans-57.4134.2173.3-173.4-168.5162.3-179.72.5109T36 E38 Y48 S417T36-R415 VanDerWaalsContact CG2-NH1 3.28Å; E38-R415 IonicContact OE1-NH1 3.82Å; E38-R415 IonicContact OE2-CZ 3.92Å; E38-R415 IonicContact OE2-NH1 2.64Å; E38-R415 PolarHBondContact OE2-NH1 3.15Å; E38-R415 IonicContact OE2-NH2 3.67Å; Y48-R415 PolarHBondContact OH-N 3.12Å; R415-S417 PolarHBondContact O-N 3.46Å; R415-S417 PolarHBondContact O-OG 2.99Å
416D87.5Confident93.4Very high141 Ų14151.5 Ų51.575%0.75429%0.285SS*.THydrogen-bonded Turntrans57.515.7175.9-50.1-35.7000115.1R414R414-D416 PolarHBondContact O-N 2.8Å
417S89Confident93.8Very high54 Ų5450.5 Ų50.538%0.37827%0.274SS..  trans-98145.9176.9-59.20000111.1R414 R415R414-S417 VanDerWaalsContact CB-OG 3.24Å; R414-S417 WeakPolarHBondContact CB-OG 3.23Å; R414-S417 PolarHBondContact O-N 2.77Å; R415-S417 PolarHBondContact O-N 3.46Å; R415-S417 PolarHBondContact O-OG 2.99Å
418P90.4Very high94.1Very high103 Ų10347.7 Ų47.767%0.66926%0.255SS*.  trans-67.4147.9178.330.8-36000110.8V420P418-V420 HydrophobicContact CB-CG2 3.91Å; P418-V420 HydrophobicContact CG-CG2 4.04Å; P418-V420 PolarHBondContact O-N 3.46Å; P418-V420 VanDerWaalsContact O-N 3.14Å
419L93.1Very high94.4Very high67 Ų6746.8 Ų46.835%0.35125%0.25SS..  trans-8291177.2-172.662.5000109I16 A20 Y411 L413I16-L419 HydrophobicContact CG2-CD1 4.25Å; I16-L419 HydrophobicContact CG2-CD2 3.6Å; I16-L419 HydrophobicContact CG2-CG 3.89Å; A20-L419 HydrophobicContact CB-CD1 3.88Å; A20-L419 HydrophobicContact CB-CD2 3.67Å; A20-L419 HydrophobicContact CB-CG 4.45Å; Y411-L419 HydrophobicContact CD1-CD1 3.69Å; Y411-L419 HydrophobicContact CD1-CG 3.95Å; Y411-L419 HydrophobicContact CE1-CD1 4.49Å; Y411-L419 HydrophobicContact CE1-CG 4.29Å; Y411-L419 HydrophobicContact CG-CD1 4.15Å; L413-L419 HydrophobicContact CD2-CD1 3.6Å
420V93.2Very high94.6Very high81 Ų8142 Ų4249%0.49123%0.228SC..  trans-125.9135.4-175.7-175.70000109.8P418 S422P418-V420 HydrophobicContact CB-CG2 3.91Å; P418-V420 HydrophobicContact CG-CG2 4.04Å; P418-V420 PolarHBondContact O-N 3.46Å; P418-V420 VanDerWaalsContact O-N 3.14Å; V420-S422 PolarHBondContact O-N 3.33Å; V420-S422 PolarHBondContact O-OG 3.02Å
421I93.8Very high94.7Very high58 Ų5841.9 Ų41.930%0.29723%0.227SC..EExtended strand (participates in β ladder)trans-66130.7173.1-164168.6000109.3M10 Q409 Y411M10-I421 HydrophobicContact CB-CD1 4.28Å; M10-I421 HydrophobicContact CE-CD1 4.16Å; M10-I421 HydrophobicContact CE-CG1 4.39Å; Q409-I421 HydrophobicContact CB-CD1 3.95Å; Q409-I421 HydrophobicContact CB-CG1 4.03Å; Q409-I421 HydrophobicContact CG-CD1 4.36Å; Q409-I421 HydrophobicContact CG-CG1 4.46Å; Y411-I421 HydrophobicContact CE1-CB 3.94Å; Y411-I421 VanDerWaalsContact CE1-N 3.32Å; Y411-I421 HydrophobicContact CE2-CB 4.39Å; Y411-I421 HydrophobicContact CE2-CG1 4.35Å
422S93.6Very high94.8Very high29 Ų2941 Ų4120%0.20322%0.224CC..EExtended strand (participates in β ladder)trans-127.4141.2-175-59.60000110.2Q409 N410 V420 C424Q409-S422 WeakPolarHBondContact CA-O 3.38Å; N410-S422 PolarHBondContact N-O 3.01Å; N410-S422 PolarHBondContact O-N 3.18Å; V420-S422 PolarHBondContact O-N 3.33Å; V420-S422 PolarHBondContact O-OG 3.02Å; S422-C424 PolarHBondContact O-N 3.43Å; S422-C424 PolarHBondContact O-SG 3.28Å
423N94.5Very high94.9Very high82 Ų8239.9 Ų39.944%0.43922%0.218SC..EExtended strand (participates in β ladder)trans-71126.2163.2-73.1-32.5000108.1P407 I408 S455 S456P407-N423 HydrophobicContact CB-CB 4.17Å; I408-N423 CarbonylContact O-C 3.54Å; N423-S455 CarbonylContact O-C 3.54Å; N423-S455 WeakPolarHBondContact O-CA 3.48Å; N423-S456 VanDerWaalsContact CB-OG 3.29Å; N423-S456 WeakPolarHBondContact CB-OG 3.29Å; N423-S456 PolarHBondContact O-N 2.89Å; N423-S456 PolarHBondContact O-OG 3.31Å
424C94.9Very high95Very high0 Ų039.7 Ų39.70%022%0.217CC..EExtended strand (participates in β ladder)trans-125.7145.5-168.7-62.70000111.6P407 I408 S422 T453 K454P407-C424 WeakPolarHBondContact CA-O 3.43Å; I408-C424 HydrophobicContact CG1-CB 4.25Å; I408-C424 WeakPolarHBondContact CG1-O 3.37Å; I408-C424 PolarHBondContact N-O 3.08Å; I408-C424 WeakPolarHBondContact O-CA 3.13Å; I408-C424 WeakPolarHBondContact O-CB 3.29Å; I408-C424 PolarHBondContact O-N 3.26Å; S422-C424 PolarHBondContact O-N 3.43Å; S422-C424 PolarHBondContact O-SG 3.28Å; C424-T453 HydrophobicContact CB-CG2 3.56Å; C424-K454 CarbonylContact C-O 3.57Å; C424-K454 WeakPolarHBondContact CA-O 3.47Å
425L95Very high95.2Very high28 Ų2837.6 Ų37.615%0.14721%0.209CC..EExtended strand (participates in β ladder)trans-116.6135.9171.6-53.2-178.1000108.9P405 P407 T453 K454P405-L425 HydrophobicContact CG-CB 4.14Å; P405-L425 HydrophobicContact CG-CD1 4.11Å; P405-L425 HydrophobicContact CG-CD2 3.92Å; P405-L425 HydrophobicContact CG-CG 4.26Å; P407-L425 HydrophobicContact CB-CD2 4.12Å; P407-L425 HydrophobicContact CG-CD2 3.94Å; L425-T453 WeakPolarHBondContact O-CA 3.44Å; L425-K454 PolarHBondContact N-O 3.44Å; L425-K454 PolarHBondContact O-N 2.86Å
426S95.3Very high95.5Very high25 Ų2533.8 Ų33.818%0.17520%0.195CC..EExtended strand (participates in β ladder)trans-112.6139.9-175.1-48.40000111R452 T453S426-R452 CarbonylContact C-O 3.57Å; S426-R452 WeakPolarHBondContact CA-O 3.49Å; S426-T453 PolarHBondContact OG-OG1 3.08Å
427E97.5Very high96Very high17 Ų1731 Ų318%0.07918%0.177CC..EExtended strand (participates in β ladder)trans-123.5117.2178.4-169.2177.6151.400108.9D128 Y129 M130 I144 R452D128-E427 HydrophobicContact CB-CG 4.31Å; D128-E427 VanDerWaalsContact CB-OE1 3.3Å; D128-E427 WeakPolarHBondContact CB-OE1 3.5Å; Y129-E427 CarbonylContact O-C 3.5Å; Y129-E427 WeakPolarHBondContact O-CA 3.46Å; Y129-E427 WeakPolarHBondContact O-CG 3.4Å; M130-E427 HydrophobicContact CE-CB 3.82Å; M130-E427 HydrophobicContact CE-CG 4.1Å; M130-E427 HydrophobicContact CG-CB 4.18Å; M130-E427 HydrophobicContact CG-CG 4.07Å; I144-E427 HydrophobicContact CG1-CG 4.21Å; E427-R452 PolarHBondContact N-O 3.29Å; E427-R452 PolarHBondContact O-N 3.07Å; E427-R452 IonicContact OE1-CZ 2.85Å; E427-R452 IonicContact OE1-NH1 2.64Å; E427-R452 IonicContact OE1-NH2 2.76Å; E427-R452 PolarHBondContact OE1-NH2 3.33Å; E427-R452 IonicContact OE2-NH2 2.77Å
428L98.2Very high96.3Very high9 Ų930 Ų305%0.04718%0.176CC..EExtended strand (participates in β ladder)trans-88.5113.8-179.3175.463.8000109.4F63 A66 D128 Y129 V430 H449 L451F63-L428 HydrophobicContact CD2-CD1 4.05Å; F63-L428 HydrophobicContact CD2-CD2 3.85Å; F63-L428 HydrophobicContact CE2-CD1 4.05Å; A66-L428 HydrophobicContact CB-CD2 3.74Å; D128-L428 CarbonylContact C-O 3.21Å; D128-L428 WeakPolarHBondContact CA-O 3.3Å; Y129-L428 WeakPolarHBondContact CD2-O 3.22Å; Y129-L428 PolarHBondContact N-O 2.87Å; Y129-L428 PolarHBondContact O-N 3.46Å; L428-V430 HydrophobicContact CG-CG2 4.35Å; L428-H449 HydrophobicContact CD1-CB 4.18Å; L428-L451 HydrophobicContact CB-CD1 4.09Å; L428-L451 HydrophobicContact CD1-CD1 4.4Å
429G98.6Very high96.5Very high0 Ų029.2 Ų29.20%018%0.178CC..EExtended strand (participates in β ladder)trans-94.3137.2166.900000111.7S127 D128 H449 L450S127-G429 CarbonylContact O-C 3.53Å; S127-G429 WeakPolarHBondContact O-CA 3.42Å; D128-G429 WeakPolarHBondContact OD1-CA 3.36Å; G429-H449 CarbonylContact O-C 3.17Å; G429-H449 WeakPolarHBondContact O-CA 3.37Å; G429-H449 WeakPolarHBondContact O-CB 3.19Å; G429-L450 WeakPolarHBondContact CA-O 3.28Å; G429-L450 PolarHBondContact N-O 3.3Å; G429-L450 PolarHBondContact O-N 2.8Å
430V98.9Very high96.6Very high0 Ų032.7 Ų32.70%019%0.192CC..EExtended strand (participates in β ladder)trans-117.2127.4172.5-176.50000108.6A66 L67 Q70 R126 S127 Y129 L428 C446A66-V430 HydrophobicContact CB-CG2 3.71Å; L67-V430 HydrophobicContact CD2-CB 4.49Å; L67-V430 HydrophobicContact CD2-CG1 3.68Å; L67-V430 HydrophobicContact CD2-CG2 3.97Å; Q70-V430 HydrophobicContact CB-CG1 3.79Å; Q70-V430 HydrophobicContact CG-CG1 3.77Å; Q70-V430 PolarHBondContact OE1-O 3.1Å; R126-V430 CarbonylContact C-O 3.52Å; R126-V430 VanDerWaalsContact CA-O 3.23Å; R126-V430 WeakPolarHBondContact CA-O 3.35Å; R126-V430 WeakPolarHBondContact CG-O 3.34Å; S127-V430 PolarHBondContact N-O 3.04Å; S127-V430 PolarHBondContact O-N 3.48Å; Y129-V430 HydrophobicContact CD2-CG2 4.48Å; Y129-V430 HydrophobicContact CE2-CB 4.48Å; Y129-V430 HydrophobicContact CE2-CG2 4.18Å; L428-V430 HydrophobicContact CG-CG2 4.35Å; V430-C446 WeakPolarHBondContact CG1-SG 3.41Å
431F98.9Very high96.8Very high0 Ų031.9 Ų31.90%018%0.183CC..EExtended strand (participates in β ladder)trans-88131.5-178.8-71-79000111.1N125 R126 A151 S152 P185 L189 V447 G448 L450N125-F431 WeakPolarHBondContact O-CA 3.36Å; R126-F431 HydrophobicContact CB-CD1 3.86Å; R126-F431 HydrophobicContact CB-CE1 3.97Å; R126-F431 HydrophobicContact CG-CD1 3.96Å; R126-F431 HydrophobicContact CG-CE1 3.98Å; R126-F431 HydrophobicContact CG-CG 4.33Å; R126-F431 HydrophobicContact CG-CZ 4.34Å; A151-F431 HydrophobicContact CB-CE1 4.46Å; S152-F431 WeakPolarHBondContact O-CZ 3.36Å; P185-F431 HydrophobicContact CB-CB 4.39Å; P185-F431 HydrophobicContact CB-CD2 3.54Å; P185-F431 HydrophobicContact CB-CE2 3.96Å; P185-F431 HydrophobicContact CB-CG 4.09Å; P185-F431 HydrophobicContact CG-CD2 3.96Å; P185-F431 HydrophobicContact CG-CE2 4Å; L189-F431 HydrophobicContact CD1-CD1 4.27Å; L189-F431 HydrophobicContact CD1-CE1 4.44Å; L189-F431 HydrophobicContact CD2-CB 4.49Å; L189-F431 HydrophobicContact CD2-CD1 4.32Å; F431-V447 HydrophobicContact CB-CG2 3.55Å; F431-V447 WeakPolarHBondContact O-CG2 3.18Å; F431-V447 PolarHBondContact O-N 3.04Å; F431-G448 PolarHBondContact N-O 2.99Å; F431-L450 HydrophobicContact CE2-CB 3.71Å; F431-L450 HydrophobicContact CZ-CB 4.17Å; F431-L450 HydrophobicContact CZ-CD2 4.39Å
432G98.9Very high97.1Very high0 Ų032 Ų320%019%0.187CC..EExtended strand (participates in β ladder)trans-111.8141.6171.200000111.8N74 L124 N125 E445N74-G432 WeakPolarHBondContact OD1-CA 3.34Å; L124-G432 WeakPolarHBondContact CA-O 3.37Å; N125-G432 PolarHBondContact N-O 2.81Å; N125-G432 PolarHBondContact O-N 3.29Å; G432-E445 WeakPolarHBondContact CA-O 3.19Å
433A98.9Very high97.3Very high0 Ų031.5 Ų31.50%018%0.182CC..EExtended strand (participates in β ladder)trans-128.6125.916900000109.6G123 L124 M443 E445 V447G123-A433 WeakPolarHBondContact O-CA 3.17Å; L124-A433 HydrophobicContact CD2-CB 3.58Å; A433-M443 HydrophobicContact CB-CE 3.89Å; A433-E445 PolarHBondContact N-O 3.06Å; A433-E445 PolarHBondContact O-N 2.92Å; A433-V447 HydrophobicContact CB-CG1 3.73Å; A433-V447 HydrophobicContact CB-CG2 4.34Å
434Y98.9Very high97.5Very high0 Ų030 Ų300%017%0.173CC..EExtended strand (participates in β ladder)trans-137.3147.5174.672.2-95.6000112.3N74 V77 D78 V121 L122 G123 T301 M441 M443N74-Y434 HydrophobicContact CB-CD1 3.69Å; N74-Y434 HydrophobicContact CB-CE1 4.47Å; N74-Y434 HydrophobicContact CB-CG 4.21Å; V77-Y434 HydrophobicContact CG1-CE1 4.46Å; D78-Y434 HydrophobicContact CB-CD2 4.3Å; D78-Y434 HydrophobicContact CB-CE2 3.72Å; V121-Y434 HydrophobicContact CG1-CE2 4.16Å; L122-Y434 WeakPolarHBondContact CA-O 3.42Å; L122-Y434 WeakPolarHBondContact CD1-O 3.39Å; G123-Y434 PolarHBondContact N-O 2.88Å; G123-Y434 PolarHBondContact O-N 3Å; T301-Y434 WeakPolarHBondContact CG2-OH 3.18Å; Y434-M441 HydrophobicContact CD2-CE 3.96Å; Y434-M441 HydrophobicContact CD2-SD 3.88Å; Y434-M441 HydrophobicContact CG-CE 4.47Å; Y434-M441 HydrophobicContact CG-SD 4.26Å; Y434-M443 CarbonylContact C-O 3.52Å; Y434-M443 WeakPolarHBondContact CA-O 3.48Å; Y434-M443 WeakPolarHBondContact CB-O 3.37Å
435V98.9Very high97.7Very high0 Ų033.2 Ų33.20%019%0.188CC..EExtended strand (participates in β ladder)trans-133.4127.4174.6-175.70000108.6I120 V121 L122 K195 L199 V442 M443I120-V435 HydrophobicContact CG2-CG1 4Å; V121-V435 CarbonylContact O-C 3.51Å; V121-V435 VanDerWaalsContact O-CA 3.27Å; V121-V435 WeakPolarHBondContact O-CA 3.21Å; L122-V435 HydrophobicContact CD1-CG2 3.76Å; K195-V435 HydrophobicContact CB-CG2 4.16Å; K195-V435 HydrophobicContact CG-CB 4.27Å; K195-V435 HydrophobicContact CG-CG1 4.29Å; K195-V435 HydrophobicContact CG-CG2 4.19Å; L199-V435 HydrophobicContact CD1-CG1 3.69Å; V435-V442 HydrophobicContact CB-CG2 3.97Å; V435-V442 HydrophobicContact CG1-CG2 3.82Å; V435-V442 WeakPolarHBondContact O-CG2 3.33Å; V435-V442 PolarHBondContact O-N 3.43Å; V435-M443 HydrophobicContact CB-CB 4Å; V435-M443 HydrophobicContact CG2-CB 4.24Å; V435-M443 HydrophobicContact CG2-SD 4.19Å; V435-M443 PolarHBondContact N-O 2.87Å; V435-M443 PolarHBondContact O-N 2.84Å
436R98.5Very high97.9Very high15 Ų1534.1 Ų34.16%0.05720%0.197CC..EExtended strand (participates in β ladder)trans-116.2139.7172.7175.6170.75568.44109.6D78 I120 V121 G438 H440 M441D78-R436 VanDerWaalsContact CG-NE 3.26Å; D78-R436 IonicContact OD1-CZ 3.62Å; D78-R436 VanDerWaalsContact OD1-CZ 3.28Å; D78-R436 IonicContact OD1-NE 2.77Å; D78-R436 PolarHBondContact OD1-NE 3.32Å; D78-R436 IonicContact OD1-NH2 3.33Å; D78-R436 PolarHBondContact OD1-NH2 3.4Å; D78-R436 VanDerWaalsContact OD2-CD 3.32Å; D78-R436 WeakPolarHBondContact OD2-CD 3.31Å; D78-R436 IonicContact OD2-CZ 2.85Å; D78-R436 IonicContact OD2-NE 3.7Å; D78-R436 PolarHBondContact OD2-NE 3.3Å; I120-R436 CarbonylContact C-O 3.55Å; I120-R436 VanDerWaalsContact CA-O 3.22Å; I120-R436 WeakPolarHBondContact CA-O 3.35Å; V121-R436 PolarHBondContact N-O 3.31Å; V121-R436 PolarHBondContact O-N 2.74Å; R436-G438 VanDerWaalsContact CD-O 3.27Å; R436-G438 WeakPolarHBondContact CD-O 3.04Å; R436-G438 VanDerWaalsContact CG-O 3.26Å; R436-G438 WeakPolarHBondContact CG-O 3.33Å; R436-G438 PolarHBondContact NH1-O 3.35Å; R436-H440 CarbonylContact C-O 3.3Å; R436-H440 VanDerWaalsContact CA-O 3.3Å; R436-H440 WeakPolarHBondContact CA-O 3.41Å; R436-H440 WeakPolarHBondContact CG-O 3.46Å; R436-M441 HydrophobicContact CB-CE 4.4Å; R436-M441 HydrophobicContact CB-SD 4.12Å
437Q97.4Very high98Very high83 Ų8333.6 Ų33.639%0.38819%0.193SC..EExtended strand (participates in β ladder)trans-119.4115.2169.3-174.5-179.532.300108.6I120 L199 A439 H440 V442I120-Q437 HydrophobicContact CG1-CG 4.22Å; L199-Q437 HydrophobicContact CD1-CB 4.47Å; Q437-A439 PolarHBondContact O-N 2.99Å; Q437-H440 PolarHBondContact N-O 2.87Å; Q437-H440 PolarHBondContact O-N 2.96Å; Q437-V442 HydrophobicContact CB-CG1 4.44Å
438G95.1Very high98.1Very high34 Ų3433.4 Ų33.435%0.35120%0.195SC..THydrogen-bonded Turntrans59.8-119.8-172.500000110.5S119 R436S119-G438 PolarHBondContact O-N 2.87Å; R436-G438 VanDerWaalsContact CD-O 3.27Å; R436-G438 WeakPolarHBondContact CD-O 3.04Å; R436-G438 VanDerWaalsContact CG-O 3.26Å; R436-G438 WeakPolarHBondContact CG-O 3.33Å; R436-G438 PolarHBondContact NH1-O 3.35Å
439A93.8Very high98.1Very high86 Ų8633.4 Ų33.471%0.71119%0.194SC*.THydrogen-bonded Turntrans-91-6.5177.500000114.2Q437Q437-A439 PolarHBondContact O-N 2.99Å
440H96.3Very high98.1Very high140 Ų14033.4 Ų33.465%0.64820%0.195SC*.EExtended strand (participates in β ladder)trans-103.5119.2-168.7-59.3-61.4000112.1R436 Q437 V442R436-H440 CarbonylContact C-O 3.3Å; R436-H440 VanDerWaalsContact CA-O 3.3Å; R436-H440 WeakPolarHBondContact CA-O 3.41Å; R436-H440 WeakPolarHBondContact CG-O 3.46Å; Q437-H440 PolarHBondContact N-O 2.87Å; Q437-H440 PolarHBondContact O-N 2.96Å; H440-V442 PolarHBondContact O-N 2.96Å; H440-V442 VanDerWaalsContact O-N 3.17Å
441M97.8Very high98.1Very high63 Ų6333.6 Ų33.631%0.3120%0.195SC..EExtended strand (participates in β ladder)trans-73.5101.3171.2-17066.572.500109.3D78 Y434 R436 N444D78-M441 HydrophobicContact CB-CE 3.78Å; D78-M441 VanDerWaalsContact OD2-CE 3.28Å; D78-M441 WeakPolarHBondContact OD2-CE 3.12Å; Y434-M441 HydrophobicContact CD2-CE 3.96Å; Y434-M441 HydrophobicContact CD2-SD 3.88Å; Y434-M441 HydrophobicContact CG-CE 4.47Å; Y434-M441 HydrophobicContact CG-SD 4.26Å; R436-M441 HydrophobicContact CB-CE 4.4Å; R436-M441 HydrophobicContact CB-SD 4.12Å; M441-N444 HydrophobicContact CG-CB 3.91Å
442V98.5Very high98Very high62 Ų6234.5 Ų34.538%0.37620%0.199SC..EExtended strand (participates in β ladder)trans-90.1-13.7-175.6-63.10000113.2L199 V435 Q437 H440L199-V442 HydrophobicContact CD1-CG2 3.86Å; V435-V442 HydrophobicContact CB-CG2 3.97Å; V435-V442 HydrophobicContact CG1-CG2 3.82Å; V435-V442 WeakPolarHBondContact O-CG2 3.33Å; V435-V442 PolarHBondContact O-N 3.43Å; Q437-V442 HydrophobicContact CB-CG1 4.44Å; H440-V442 PolarHBondContact O-N 2.96Å; H440-V442 VanDerWaalsContact O-N 3.17Å
443M98.8Very high97.9Very high18 Ų1834.5 Ų34.59%0.08920%0.199CC..EExtended strand (participates in β ladder)trans-147.9134.8171.5-177.9-176.7176.900108.8R191 K195 A433 Y434 V435 E445R191-M443 HydrophobicContact CB-CE 3.98Å; K195-M443 HydrophobicContact CB-SD 4.39Å; A433-M443 HydrophobicContact CB-CE 3.89Å; Y434-M443 CarbonylContact C-O 3.52Å; Y434-M443 WeakPolarHBondContact CA-O 3.48Å; Y434-M443 WeakPolarHBondContact CB-O 3.37Å; V435-M443 HydrophobicContact CB-CB 4Å; V435-M443 HydrophobicContact CG2-CB 4.24Å; V435-M443 HydrophobicContact CG2-SD 4.19Å; V435-M443 PolarHBondContact N-O 2.87Å; V435-M443 PolarHBondContact O-N 2.84Å; M443-E445 HydrophobicContact CE-CB 4.27Å; M443-E445 VanDerWaalsContact CE-CD 3.46Å; M443-E445 HydrophobicContact CE-CG 4.02Å; M443-E445 WeakPolarHBondContact CE-OE2 3.31Å; M443-E445 HydrophobicContact CG-CG 4.18Å
444N98.8Very high97.6Very high49 Ų4935.2 Ų35.226%0.26220%0.202SC..EExtended strand (participates in β ladder)trans-152.799.3170.9-177.54.5000109T71 N74 T75 M441T71-N444 WeakPolarHBondContact CA-OD1 3.31Å; T71-N444 PolarHBondContact O-ND2 2.83Å; N74-N444 WeakPolarHBondContact CB-OD1 3.15Å; N74-N444 PolarHBondContact ND2-OD1 2.79Å; T75-N444 PolarHBondContact OG1-ND2 2.76Å; T75-N444 VanDerWaalsContact OG1-ND2 3.11Å; M441-N444 HydrophobicContact CG-CB 3.91Å
445E98.8Very high97.2Very high68 Ų6835.7 Ų35.732%0.31821%0.205SC..EExtended strand (participates in β ladder)trans-128.1145.3-170.9-66-177.8-169.600111.9N74 R191 G432 A433 M443 V447N74-E445 PolarHBondContact ND2-O 3.36Å; R191-E445 IonicContact CZ-OE2 3.51Å; R191-E445 IonicContact NE-OE2 2.9Å; R191-E445 PolarHBondContact NE-OE2 3.26Å; R191-E445 IonicContact NH2-OE2 3.29Å; R191-E445 PolarHBondContact NH2-OE2 3.06Å; G432-E445 WeakPolarHBondContact CA-O 3.19Å; A433-E445 PolarHBondContact N-O 3.06Å; A433-E445 PolarHBondContact O-N 2.92Å; M443-E445 HydrophobicContact CE-CB 4.27Å; M443-E445 VanDerWaalsContact CE-CD 3.46Å; M443-E445 HydrophobicContact CE-CG 4.02Å; M443-E445 WeakPolarHBondContact CE-OE2 3.31Å; M443-E445 HydrophobicContact CG-CG 4.18Å; E445-V447 HydrophobicContact CB-CG1 3.73Å
446C98.7Very high96.5Very high48 Ų4838 Ų3832%0.32422%0.221SC..EExtended strand (participates in β ladder)trans-86.1118155.4175.60000107.7Q70 V430Q70-C446 HydrophobicContact CB-CB 4.04Å; Q70-C446 HydrophobicContact CG-CB 4.13Å; V430-C446 WeakPolarHBondContact CG1-SG 3.41Å
447V98.6Very high95.8Very high14 Ų1445.3 Ų45.39%0.08526%0.256CS..EExtended strand (participates in β ladder)trans-109.3-5-166.7-650000115P185 L189 F431 A433 E445P185-V447 WeakPolarHBondContact CA-O 3.31Å; L189-V447 HydrophobicContact CD2-CG2 4Å; L189-V447 HydrophobicContact CG-CG2 4.22Å; F431-V447 HydrophobicContact CB-CG2 3.55Å; F431-V447 WeakPolarHBondContact O-CG2 3.18Å; F431-V447 PolarHBondContact O-N 3.04Å; A433-V447 HydrophobicContact CB-CG1 3.73Å; A433-V447 HydrophobicContact CB-CG2 4.34Å; E445-V447 HydrophobicContact CB-CG1 3.73Å
448G98.5Very high94.8Very high12 Ų1245.7 Ų45.712%0.12426%0.258CS..EExtended strand (participates in β ladder)trans155.1-170.1177.200000111.5N183 F431N183-G448 WeakPolarHBondContact OD1-CA 3.47Å; F431-G448 PolarHBondContact N-O 2.99Å
449H98.8Very high93.6Very high9 Ų946.6 Ų46.64%0.04226%0.262CS..EExtended strand (participates in β ladder)trans-136.6169.2-178.659.7-83.9000111.7F63 N183 L428 G429 P473F63-H449 HydrophobicContact CE2-CB 4.12Å; F63-H449 AromaticContact CE2-CD2 3.96Å; F63-H449 AromaticContact CE2-CG 3.76Å; F63-H449 AromaticContact CE2-ND1 3.98Å; F63-H449 HydrophobicContact CZ-CB 4.47Å; F63-H449 AromaticContact CZ-CE1 3.87Å; F63-H449 AromaticContact CZ-CG 3.89Å; F63-H449 AromaticContact CZ-ND1 3.61Å; N183-H449 VanDerWaalsContact CG-CE1 3.5Å; N183-H449 PolarHBondContact ND2-O 3.08Å; N183-H449 PolarHBondContact OD1-CE1 3.31Å; N183-H449 PolarHBondContact OD1-N 3.32Å; N183-H449 PolarHBondContact OD1-ND1 3.44Å; N183-H449 VanDerWaalsContact OD1-ND1 3.13Å; L428-H449 HydrophobicContact CD1-CB 4.18Å; G429-H449 CarbonylContact O-C 3.17Å; G429-H449 WeakPolarHBondContact O-CA 3.37Å; G429-H449 WeakPolarHBondContact O-CB 3.19Å; H449-P473 WeakPolarHBondContact NE2-CD 3.38Å; H449-P473 WeakPolarHBondContact NE2-CG 3.49Å
450L98.6Very high92.3Very high1 Ų143.8 Ų43.81%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-142126.4173.3166.868.3000106.9F153 G429 F431 R452 L470F153-L450 HydrophobicContact CB-CD1 3.94Å; F153-L450 HydrophobicContact CB-CD2 3.78Å; G429-L450 WeakPolarHBondContact CA-O 3.28Å; G429-L450 PolarHBondContact N-O 3.3Å; G429-L450 PolarHBondContact O-N 2.8Å; F431-L450 HydrophobicContact CE2-CB 3.71Å; F431-L450 HydrophobicContact CZ-CB 4.17Å; F431-L450 HydrophobicContact CZ-CD2 4.39Å; L450-R452 HydrophobicContact CD1-CG 4.23Å; L450-R452 HydrophobicContact CD2-CG 3.81Å; L450-R452 HydrophobicContact CG-CG 3.89Å; L450-L470 HydrophobicContact CD1-CD2 3.75Å
451L98.3Very high90.9Very high3 Ų337.5 Ų37.52%0.01621%0.208CC..EExtended strand (participates in β ladder)trans-100.5127.8164.8-164.267.5000108.2V58 L428 D471 P473V58-L451 HydrophobicContact CG2-CD1 4.33Å; V58-L451 HydrophobicContact CG2-CD2 4.09Å; L428-L451 HydrophobicContact CB-CD1 4.09Å; L428-L451 HydrophobicContact CD1-CD1 4.4Å; L451-D471 HydrophobicContact CB-CB 3.97Å; L451-D471 HydrophobicContact CD2-CB 4.01Å; L451-D471 HydrophobicContact CG-CB 4.01Å; L451-D471 PolarHBondContact O-N 2.6Å; L451-P473 HydrophobicContact CD2-CB 4.47Å
452R97.2Very high88.8Confident19 Ų1935 Ų357%0.07220%0.198CC..EExtended strand (participates in β ladder)trans-112.6132.1172.6-73.1174.9-68144.711.1108.4D128 S426 E427 L450 V463 A468 V469D128-R452 IonicContact OD1-CZ 3.24Å; D128-R452 IonicContact OD1-NH2 2.74Å; D128-R452 PolarHBondContact OD1-NH2 2.86Å; D128-R452 IonicContact OD2-CZ 3.95Å; D128-R452 IonicContact OD2-NH2 2.77Å; D128-R452 PolarHBondContact OD2-NH2 3.08Å; S426-R452 CarbonylContact C-O 3.57Å; S426-R452 WeakPolarHBondContact CA-O 3.49Å; E427-R452 PolarHBondContact N-O 3.29Å; E427-R452 PolarHBondContact O-N 3.07Å; E427-R452 IonicContact OE1-CZ 2.85Å; E427-R452 IonicContact OE1-NH1 2.64Å; E427-R452 IonicContact OE1-NH2 2.76Å; E427-R452 PolarHBondContact OE1-NH2 3.33Å; E427-R452 IonicContact OE2-NH2 2.77Å; L450-R452 HydrophobicContact CD1-CG 4.23Å; L450-R452 HydrophobicContact CD2-CG 3.81Å; L450-R452 HydrophobicContact CG-CG 3.89Å; R452-V463 HydrophobicContact CG-CG2 4.04Å; R452-A468 HydrophobicContact CB-CB 4.2Å; R452-V469 WeakPolarHBondContact CA-O 3.48Å
453T96.2Very high86.7Confident0 Ų032.2 Ų32.20%018%0.181CC..EExtended strand (participates in β ladder)trans-126.9137.9-176.4-60.30000109.9T52 L412 C424 L425 S426 A468 V469 D471T52-T453 HydrophobicContact CG2-CG2 3.91Å; L412-T453 HydrophobicContact CD2-CG2 4.39Å; C424-T453 HydrophobicContact CB-CG2 3.56Å; L425-T453 WeakPolarHBondContact O-CA 3.44Å; S426-T453 PolarHBondContact OG-OG1 3.08Å; T453-A468 CarbonylContact O-C 3.54Å; T453-A468 VanDerWaalsContact O-CA 3.29Å; T453-A468 WeakPolarHBondContact O-CA 3.45Å; T453-V469 PolarHBondContact N-O 3.32Å; T453-V469 WeakPolarHBondContact O-CG2 3.35Å; T453-V469 PolarHBondContact O-N 3.17Å; T453-D471 WeakPolarHBondContact CB-OD2 2.88Å; T453-D471 WeakPolarHBondContact OG1-CB 3.32Å; T453-D471 PolarHBondContact OG1-OD2 2.98Å
454K93.1Very high84.3Confident16 Ų1634.3 Ų34.37%0.0720%0.201CC..EExtended strand (participates in β ladder)trans-135.8160.2179.362170.5177.6165.70110.9C424 L425 H458 A459 D460 V467 A468C424-K454 CarbonylContact C-O 3.57Å; C424-K454 WeakPolarHBondContact CA-O 3.47Å; L425-K454 PolarHBondContact N-O 3.44Å; L425-K454 PolarHBondContact O-N 2.86Å; K454-H458 WeakPolarHBondContact CE-O 3.48Å; K454-H458 PolarHBondContact NZ-O 2.97Å; K454-A459 PolarHBondContact NZ-O 2.97Å; K454-D460 WeakPolarHBondContact CD-O 3.41Å; K454-D460 VanDerWaalsContact NZ-C 3.31Å; K454-D460 PolarHBondContact NZ-O 3.38Å; K454-V467 HydrophobicContact CB-CG1 4.49Å; K454-V467 HydrophobicContact CD-CG1 4.46Å; K454-A468 HydrophobicContact CB-CB 4.32Å
455S90.4Very high82.5Confident10 Ų1034.5 Ų34.57%0.0721%0.209CC..EExtended strand (participates in β ladder)trans-60.5139.2167.7174.90000110.1N423 E457 H458N423-S455 CarbonylContact O-C 3.54Å; N423-S455 WeakPolarHBondContact O-CA 3.48Å; S455-E457 PolarHBondContact O-N 2.95Å; S455-E457 PolarHBondContact OG-N 3.48Å; S455-H458 PolarHBondContact O-N 3.42Å; S455-H458 VanDerWaalsContact O-N 3.12Å
456S84.9Confident81.3Confident47 Ų4733.1 Ų33.133%0.32921%0.213SC..THydrogen-bonded Turntrans-64.8-15.8175.760.80000113.1N423 H458N423-S456 VanDerWaalsContact CB-OG 3.29Å; N423-S456 WeakPolarHBondContact CB-OG 3.29Å; N423-S456 PolarHBondContact O-N 2.89Å; N423-S456 PolarHBondContact O-OG 3.31Å; S456-H458 PolarHBondContact O-N 3.32Å
457E82.7Confident80.3Confident169 Ų16932.4 Ų32.479%0.7921%0.208SC*.THydrogen-bonded Turntrans-70.6-18.5174.2-61.4178.6171.700112.6S455S455-E457 PolarHBondContact O-N 2.95Å; S455-E457 PolarHBondContact OG-N 3.48Å
458H77.8Confident79.9Confident92 Ų9231.9 Ų31.943%0.42621%0.205SC..  trans-97.7121.3179.3-62.7-49.7000111.9K454 S455 S456 V467K454-H458 WeakPolarHBondContact CE-O 3.48Å; K454-H458 PolarHBondContact NZ-O 2.97Å; S455-H458 PolarHBondContact O-N 3.42Å; S455-H458 VanDerWaalsContact O-N 3.12Å; S456-H458 PolarHBondContact O-N 3.32Å; H458-V467 HydrophobicContact CB-CG1 3.62Å
459A70.4Confident79.7Confident52 Ų5231.3 Ų31.343%0.4320%0.199SC..SBendtrans-69.4-42.5179.200000113Y377 K454Y377-A459 HydrophobicContact CD1-CB 4.17Å; Y377-A459 HydrophobicContact CD2-CB 3.6Å; Y377-A459 HydrophobicContact CE1-CB 4.38Å; Y377-A459 HydrophobicContact CE2-CB 3.86Å; Y377-A459 HydrophobicContact CG-CB 3.77Å; Y377-A459 VanDerWaalsContact CZ-O 3.32Å; Y377-A459 PolarHBondContact OH-O 3.42Å; K454-A459 PolarHBondContact NZ-O 2.97Å
460D64.8Low79.7Confident28 Ų2830.9 Ų30.915%0.1520%0.197CC..SBendtrans-95.4174.4177.3-148.2-22.5000112.3G373 N374 N375 Y377 K454 V467G373-D460 WeakPolarHBondContact CA-OD2 3.21Å; G373-D460 PolarHBondContact N-OD2 2.98Å; N374-D460 PolarHBondContact N-OD2 3.32Å; N374-D460 VanDerWaalsContact N-OD2 3.13Å; N375-D460 PolarHBondContact N-OD2 3.44Å; Y377-D460 HydrophobicContact CE2-CB 4.18Å; K454-D460 WeakPolarHBondContact CD-O 3.41Å; K454-D460 VanDerWaalsContact NZ-C 3.31Å; K454-D460 PolarHBondContact NZ-O 3.38Å; D460-V467 VanDerWaalsContact O-CG1 3.28Å; D460-V467 WeakPolarHBondContact O-CG1 3.28Å
461G68Low79.7Confident8 Ų831 Ų318%0.08220%0.197CC..  trans-131.4-162.2-174.500000114.6
462G54.1Low79.7Confident9 Ų930.9 Ų30.99%0.09320%0.197CC..  trans103.2125.6176.700000114.4G466 V467 A468G462-G466 PolarHBondContact O-N 3.04Å; G462-V467 PolarHBondContact O-N 2.88Å; G462-A468 PolarHBondContact O-N 3.13Å
463V52.8Low79.7Confident5 Ų530.1 Ų30.13%0.0319%0.194CC..THydrogen-bonded Turntrans-73.4-41.3178178.40000110.5F153 R452 A465 G466 A468 L470F153-V463 HydrophobicContact CD2-CB 4.4Å; F153-V463 HydrophobicContact CE1-CB 4.03Å; F153-V463 HydrophobicContact CE1-CG1 3.75Å; F153-V463 HydrophobicContact CE2-CB 3.69Å; F153-V463 HydrophobicContact CE2-CG1 4.34Å; F153-V463 HydrophobicContact CE2-CG2 4.44Å; F153-V463 HydrophobicContact CZ-CB 3.49Å; F153-V463 VanDerWaalsContact CZ-CB 3.49Å; F153-V463 HydrophobicContact CZ-CG1 3.64Å; R452-V463 HydrophobicContact CG-CG2 4.04Å; V463-A465 VanDerWaalsContact C-N 3.29Å; V463-A465 PolarHBondContact O-N 2.83Å; V463-G466 WeakPolarHBondContact O-CA 3.47Å; V463-G466 PolarHBondContact O-N 3.13Å; V463-A468 HydrophobicContact CG2-CB 3.87Å; V463-L470 HydrophobicContact CG2-CD2 4.38Å
464A49.8Very low79.7Confident62 Ų6230.1 Ų30.151%0.51219%0.194SC..THydrogen-bonded Turntrans-62.8-36.6176.100000112.1F153 G466F153-A464 HydrophobicContact CE2-CB 4.36Å; F153-A464 HydrophobicContact CZ-CB 4.17Å; A464-G466 PolarHBondContact O-N 3.45Å
465A60.9Low79.7Confident52 Ų5230.6 Ų30.643%0.4320%0.197SC..THydrogen-bonded Turntrans-71.2-6.4173.200000113.6V463 V467V463-A465 VanDerWaalsContact C-N 3.29Å; V463-A465 PolarHBondContact O-N 2.83Å; A465-V467 HydrophobicContact CB-CG2 4.48Å
466G72.2Confident79.6Confident39 Ų3933.6 Ų33.640%0.40222%0.215SC..THydrogen-bonded Turntrans81.39178.500000115.1R414 G462 V463 A464R414-G466 PolarHBondContact NH1-O 3.39Å; G462-G466 PolarHBondContact O-N 3.04Å; V463-G466 WeakPolarHBondContact O-CA 3.47Å; V463-G466 PolarHBondContact O-N 3.13Å; A464-G466 PolarHBondContact O-N 3.45Å
467V79.4Confident79.3Confident34 Ų3432.9 Ų32.921%0.20621%0.209CC..SBendtrans-100.2-43.3-174.3-176.20000112.5R414 K454 H458 D460 G462 A465R414-V467 VanDerWaalsContact NH2-C 3.32Å; R414-V467 PolarHBondContact NH2-O 2.69Å; K454-V467 HydrophobicContact CB-CG1 4.49Å; K454-V467 HydrophobicContact CD-CG1 4.46Å; H458-V467 HydrophobicContact CB-CG1 3.62Å; D460-V467 VanDerWaalsContact O-CG1 3.28Å; D460-V467 WeakPolarHBondContact O-CG1 3.28Å; G462-V467 PolarHBondContact O-N 2.88Å; A465-V467 HydrophobicContact CB-CG2 4.48Å
468A88.4Confident79.2Confident3 Ų325.7 Ų25.73%0.02518%0.179CC..  trans-92.1167.717400000111.6R414 R452 T453 K454 G462 V463R414-A468 PolarHBondContact NH1-O 3.18Å; R414-A468 PolarHBondContact NH2-O 3.4Å; R452-A468 HydrophobicContact CB-CB 4.2Å; T453-A468 CarbonylContact O-C 3.54Å; T453-A468 VanDerWaalsContact O-CA 3.29Å; T453-A468 WeakPolarHBondContact O-CA 3.45Å; K454-A468 HydrophobicContact CB-CB 4.32Å; G462-A468 PolarHBondContact O-N 3.13Å; V463-A468 HydrophobicContact CG2-CB 3.87Å
469V95.9Very high79.3Confident0 Ų022.1 Ų22.10%017%0.165CC..EExtended strand (participates in β ladder)trans-124161.8168.5-55.80000109.8P50 T52 L412 R414 R452 T453P50-V469 HydrophobicContact CB-CB 4.01Å; P50-V469 HydrophobicContact CB-CG1 3.59Å; T52-V469 HydrophobicContact CG2-CG2 3.55Å; L412-V469 HydrophobicContact CB-CG1 4.27Å; L412-V469 HydrophobicContact CD2-CG2 3.77Å; R414-V469 HydrophobicContact CG-CG1 4.32Å; R452-V469 WeakPolarHBondContact CA-O 3.48Å; T453-V469 PolarHBondContact N-O 3.32Å; T453-V469 WeakPolarHBondContact O-CG2 3.35Å; T453-V469 PolarHBondContact O-N 3.17Å
470L98.3Very high79.8Confident0 Ų020.3 Ų20.30%015%0.15CC..EExtended strand (participates in β ladder)trans-70.2145.1170.4-60173.6000110.9V32 A49 P50 F51 T52 F153 L156 T160 L450 V463V32-L470 HydrophobicContact CG1-CD1 4.1Å; A49-L470 HydrophobicContact CB-CD1 4.05Å; P50-L470 PolarHBondContact O-N 3.41Å; F51-L470 CarbonylContact C-O 3.49Å; F51-L470 WeakPolarHBondContact CA-O 3.5Å; F51-L470 HydrophobicContact CB-CB 4.13Å; F51-L470 WeakPolarHBondContact CB-O 3.31Å; T52-L470 PolarHBondContact N-O 3.45Å; F153-L470 HydrophobicContact CB-CD2 4.14Å; F153-L470 HydrophobicContact CD1-CD2 3.9Å; F153-L470 HydrophobicContact CG-CD2 4.12Å; L156-L470 HydrophobicContact CB-CD1 3.73Å; L156-L470 HydrophobicContact CD1-CD1 4.18Å; T160-L470 HydrophobicContact CG2-CB 4.09Å; T160-L470 HydrophobicContact CG2-CD1 3.95Å; L450-L470 HydrophobicContact CD1-CD2 3.75Å; V463-L470 HydrophobicContact CG2-CD2 4.38Å
471D98.3Very high80.7Confident2 Ų219.8 Ų19.81%0.01115%0.15CC..EExtended strand (participates in β ladder)trans-148.5170.4180-160.4-8.9000109.9T52 P55 S56 H164 L451 T453T52-D471 HydrophobicContact CG2-CB 4.01Å; T52-D471 WeakPolarHBondContact CG2-OD2 3.34Å; T52-D471 PolarHBondContact OG1-OD1 3.26Å; P55-D471 WeakPolarHBondContact CA-OD1 3.3Å; S56-D471 WeakPolarHBondContact CB-OD2 3.45Å; S56-D471 PolarHBondContact N-OD1 2.8Å; S56-D471 PolarHBondContact OG-OD2 3.4Å; H164-D471 IonicContact CE1-OD1 3.96Å; H164-D471 PolarHBondContact CE1-OD1 2.88Å; L451-D471 HydrophobicContact CB-CB 3.97Å; L451-D471 HydrophobicContact CD2-CB 4.01Å; L451-D471 HydrophobicContact CG-CB 4.01Å; L451-D471 PolarHBondContact O-N 2.6Å; T453-D471 WeakPolarHBondContact CB-OD2 2.88Å; T453-D471 WeakPolarHBondContact OG1-CB 3.32Å; T453-D471 PolarHBondContact OG1-OD2 2.98Å
472N98.3Very high81.6Confident2 Ų220.6 Ų20.61%0.01115%0.154CC..  trans-128.8146.3170.5-61.8-79.3000110.7P55 S56 T160 H164 L474P55-N472 CarbonylContact C-O 3.5Å; P55-N472 WeakPolarHBondContact CA-O 3.38Å; P55-N472 HydrophobicContact CB-CB 4.38Å; P55-N472 VanDerWaalsContact CB-O 3.25Å; P55-N472 WeakPolarHBondContact CB-O 3.48Å; S56-N472 PolarHBondContact N-O 3.06Å; S56-N472 VanDerWaalsContact N-O 3.1Å; T160-N472 VanDerWaalsContact C-ND2 3.25Å; T160-N472 WeakPolarHBondContact CB-ND2 3.4Å; T160-N472 PolarHBondContact O-ND2 2.86Å; T160-N472 PolarHBondContact OG1-ND2 2.91Å; T160-N472 PolarHBondContact OG1-OD1 3.04Å; H164-N472 WeakPolarHBondContact ND1-CB 3.48Å; H164-N472 PolarHBondContact ND1-ND2 3.31Å; N472-L474 PolarHBondContact O-N 3.12Å
473P96.8Very high83.5Confident2 Ų221.4 Ų21.41%0.01316%0.158CC..EExtended strand (participates in β ladder)trans-73.5119.6175.230.4-33.3000110.8V58 F63 L181 H449 L451 L475V58-P473 HydrophobicContact CB-CB 3.94Å; V58-P473 HydrophobicContact CG2-CB 3.7Å; F63-P473 HydrophobicContact CD2-CB 4.42Å; F63-P473 HydrophobicContact CD2-CG 4.31Å; F63-P473 HydrophobicContact CE2-CB 4.47Å; F63-P473 HydrophobicContact CE2-CG 3.87Å; F63-P473 HydrophobicContact CZ-CG 4.47Å; L181-P473 HydrophobicContact CD1-CG 4.46Å; H449-P473 WeakPolarHBondContact NE2-CD 3.38Å; H449-P473 WeakPolarHBondContact NE2-CG 3.49Å; L451-P473 HydrophobicContact CD2-CB 4.47Å; P473-L475 HydrophobicContact CB-CD2 4.25Å
474L96.3Very high85.9Confident1 Ų122.7 Ų22.71%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-85.7106.9160.3179.663.2000107.9P55 S56 P57 V58 E176 R179 I180 N472 V476P55-L474 HydrophobicContact CB-CB 4.05Å; P55-L474 HydrophobicContact CG-CB 4.19Å; S56-L474 PolarHBondContact O-N 2.93Å; P57-L474 WeakPolarHBondContact CA-O 3.41Å; V58-L474 PolarHBondContact N-O 2.96Å; E176-L474 HydrophobicContact CB-CD1 4.33Å; E176-L474 HydrophobicContact CG-CD2 4.29Å; R179-L474 HydrophobicContact CB-CD1 3.88Å; I180-L474 HydrophobicContact CD1-CB 4.26Å; I180-L474 HydrophobicContact CD1-CD1 3.88Å; N472-L474 PolarHBondContact O-N 3.12Å; L474-V476 PolarHBondContact O-N 3.27Å
475L92.9Very high88.9Confident25 Ų2519.4 Ų19.413%0.13114%0.14CC..EExtended strand (participates in β ladder)trans-67.7125-177.4-60.5-170.5000111.1V58 K60 F63 R179 L181 P473V58-L475 WeakPolarHBondContact O-CA 3.43Å; K60-L475 HydrophobicContact CG-CD1 4.3Å; F63-L475 HydrophobicContact CB-CD2 3.86Å; F63-L475 HydrophobicContact CD1-CD1 4.29Å; F63-L475 HydrophobicContact CD1-CD2 3.9Å; F63-L475 HydrophobicContact CD2-CD2 4.31Å; F63-L475 HydrophobicContact CG-CD2 3.76Å; R179-L475 PolarHBondContact NH1-O 2.94Å; L181-L475 HydrophobicContact CD1-CD1 3.98Å; L181-L475 HydrophobicContact CD1-CD2 4.45Å; L181-L475 HydrophobicContact CD1-CG 4.2Å; L181-L475 HydrophobicContact CD2-CD1 3.99Å; L181-L475 HydrophobicContact CG-CD1 4.3Å; L181-L475 HydrophobicContact CG-CG 4.44Å; P473-L475 HydrophobicContact CB-CD2 4.25Å
476V89.3Confident91.4Very high73 Ų7316.5 Ų16.544%0.44211%0.113SC..  trans-118.10178.2-65.40000112.9A2 P57 V58 K60 L474A2-V476 HydrophobicContact CB-CB 3.75Å; A2-V476 HydrophobicContact CB-CG1 4.04Å; A2-V476 WeakPolarHBondContact CB-OXT 3.33Å; P57-V476 HydrophobicContact CB-CG1 3.89Å; P57-V476 HydrophobicContact CB-CG2 4.08Å; V58-V476 PolarHBondContact O-N 3.1Å; V58-V476 VanDerWaalsContact O-N 3.08Å; K60-V476 PolarHBondContact N-O 3.47Å; L474-V476 PolarHBondContact O-N 3.27Å

Retrieved 476 of 476 residues in 380.3 ms (Link to these results)

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