A0A093H0B2_STRCA Loading...

Gap junction protein

One gap junction consists of a cluster of closely packed pairs of transmembrane channels, the connexons, through which materials of low MW diffuse from one cell to a neighboring cell.

AlphaFold DB , UniProt , Accession A0A093H0B2, Species STRCA (Struthio camelus australis), Gene n/a, Length 343 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
1M38.6Very low50.7Low243 Ų243105.8 Ų105.8100%1.19754%0.536SS*.  0142.20-78.8150.8163.900107.6
2G44Very low51.2Low57 Ų57105.2 Ų105.259%0.58854%0.535SS*.  trans-67.3137.3179.700000110.9W4G2-W4 VanDerWaalsContact O-CD1 3.26Å; G2-W4 PolarHBondContact O-N 3.47Å
3D51Low51Low118 Ų118106.5 Ų106.563%0.63154%0.538SS*.  trans-76.792.5175.8-176.57.1000109.7G5 F6D3-G5 PolarHBondContact O-N 3.18Å; D3-G5 PolarHBondContact OD1-N 3.1Å; D3-F6 HydrophobicContact CB-CB 4.29Å; D3-F6 PolarHBondContact O-N 3.48Å; D3-F6 PolarHBondContact OD1-N 3.01Å
4W52.5Low51.2Low201 Ų201100.7 Ų100.776%0.76151%0.511SS*.Hα-helixtrans-62.6-28.9176.5-62.999.4000112G2 F6 L7 E8G2-W4 VanDerWaalsContact O-CD1 3.26Å; G2-W4 PolarHBondContact O-N 3.47Å; W4-F6 VanDerWaalsContact C-N 3.29Å; W4-F6 PolarHBondContact O-N 2.99Å; W4-L7 HydrophobicContact CE3-CD2 4.31Å; W4-L7 HydrophobicContact CZ3-CD2 4.39Å; W4-L7 PolarHBondContact O-N 3.23Å; W4-L7 VanDerWaalsContact O-N 3.12Å; W4-E8 WeakPolarHBondContact O-CB 3.41Å; W4-E8 PolarHBondContact O-N 2.76Å
5G51Low51.2Low26 Ų2698.3 Ų98.327%0.26850%0.497SS..Hα-helixtrans-67.9-26.8177.900000113.2D3 K9D3-G5 PolarHBondContact O-N 3.18Å; D3-G5 PolarHBondContact OD1-N 3.1Å; G5-K9 WeakPolarHBondContact O-CB 3.46Å; G5-K9 VanDerWaalsContact O-CG 3.24Å; G5-K9 WeakPolarHBondContact O-CG 3.37Å; G5-K9 PolarHBondContact O-N 3.08Å
6F51.4Low51Low70 Ų70100.8 Ų100.831%0.30751%0.506SS..Hα-helixtrans-71.4-40.6169.6-179.8-108000111.8D3 W4 L10D3-F6 HydrophobicContact CB-CB 4.29Å; D3-F6 PolarHBondContact O-N 3.48Å; D3-F6 PolarHBondContact OD1-N 3.01Å; W4-F6 VanDerWaalsContact C-N 3.29Å; W4-F6 PolarHBondContact O-N 2.99Å; F6-L10 HydrophobicContact CD1-CD1 3.69Å; F6-L10 HydrophobicContact CD2-CD1 4.48Å; F6-L10 HydrophobicContact CE1-CD1 3.28Å; F6-L10 HydrophobicContact CE1-CG 4.32Å; F6-L10 HydrophobicContact CE2-CD1 4.14Å; F6-L10 HydrophobicContact CE2-CG 4.39Å; F6-L10 HydrophobicContact CG-CD1 4.28Å; F6-L10 HydrophobicContact CZ-CD1 3.55Å; F6-L10 HydrophobicContact CZ-CG 4.23Å; F6-L10 WeakPolarHBondContact O-CB 3.19Å; F6-L10 VanDerWaalsContact O-CG 3.26Å; F6-L10 WeakPolarHBondContact O-CG 3.36Å; F6-L10 PolarHBondContact O-N 3.2Å
7L48.7Very low50.9Low86 Ų86102 Ų10245%0.4551%0.509SS..Hα-helixtrans-68-38.4177.3-164.773000111.7W4 L10 L11W4-L7 HydrophobicContact CE3-CD2 4.31Å; W4-L7 HydrophobicContact CZ3-CD2 4.39Å; W4-L7 PolarHBondContact O-N 3.23Å; W4-L7 VanDerWaalsContact O-N 3.12Å; L7-L10 PolarHBondContact O-N 3.14Å; L7-L11 HydrophobicContact CG-CD1 4.46Å; L7-L11 WeakPolarHBondContact O-CB 3.41Å; L7-L11 WeakPolarHBondContact O-CG 3.39Å; L7-L11 PolarHBondContact O-N 2.96Å
8E52.2Low51.4Low126 Ų12697.2 Ų97.259%0.58949%0.487SS*.Hα-helixtrans-63.3-51.7174.2-171.5172.1-164.600111.3W4 L10 L11 D12W4-E8 WeakPolarHBondContact O-CB 3.41Å; W4-E8 PolarHBondContact O-N 2.76Å; E8-L10 VanDerWaalsContact C-N 3.27Å; E8-L10 PolarHBondContact O-N 3.26Å; E8-L11 WeakPolarHBondContact O-CB 3.28Å; E8-L11 PolarHBondContact O-N 3.19Å; E8-L11 VanDerWaalsContact O-N 3.13Å; E8-D12 PolarHBondContact O-N 3.47Å
9K56.9Low52.1Low154 Ų15494.5 Ų94.567%0.6748%0.476SS*.Hα-helixtrans-58.1-35.9173.9-76.7173-179.6175.80113.4G5 Q13G5-K9 WeakPolarHBondContact O-CB 3.46Å; G5-K9 VanDerWaalsContact O-CG 3.24Å; G5-K9 WeakPolarHBondContact O-CG 3.37Å; G5-K9 PolarHBondContact O-N 3.08Å; K9-Q13 WeakPolarHBondContact O-CB 3.5Å; K9-Q13 WeakPolarHBondContact O-CG 3.45Å; K9-Q13 PolarHBondContact O-N 2.95Å
10L54.2Low52.8Low11 Ų1194.7 Ų94.76%0.05848%0.482CS..Hα-helixtrans-73.1-38.5176.1-77.8172000112.8F6 L7 E8 D12 V14 V96 V97F6-L10 HydrophobicContact CD1-CD1 3.69Å; F6-L10 HydrophobicContact CD2-CD1 4.48Å; F6-L10 HydrophobicContact CE1-CD1 3.28Å; F6-L10 HydrophobicContact CE1-CG 4.32Å; F6-L10 HydrophobicContact CE2-CD1 4.14Å; F6-L10 HydrophobicContact CE2-CG 4.39Å; F6-L10 HydrophobicContact CG-CD1 4.28Å; F6-L10 HydrophobicContact CZ-CD1 3.55Å; F6-L10 HydrophobicContact CZ-CG 4.23Å; F6-L10 WeakPolarHBondContact O-CB 3.19Å; F6-L10 VanDerWaalsContact O-CG 3.26Å; F6-L10 WeakPolarHBondContact O-CG 3.36Å; F6-L10 PolarHBondContact O-N 3.2Å; L7-L10 PolarHBondContact O-N 3.14Å; E8-L10 VanDerWaalsContact C-N 3.27Å; E8-L10 PolarHBondContact O-N 3.26Å; L10-D12 VanDerWaalsContact C-N 3.32Å; L10-V14 VanDerWaalsContact O-CB 3.22Å; L10-V14 WeakPolarHBondContact O-CB 3.35Å; L10-V14 WeakPolarHBondContact O-CG2 3.34Å; L10-V14 PolarHBondContact O-N 3.32Å; L10-V96 HydrophobicContact CD2-CG1 4.12Å; L10-V97 HydrophobicContact CD1-CG2 3.54Å
11L57.2Low53.4Low72 Ų7296 Ų9638%0.37749%0.489SS..Hα-helixtrans-59.3-46.2170.8-83.2161000110L7 E8 V14 Q15L7-L11 HydrophobicContact CG-CD1 4.46Å; L7-L11 WeakPolarHBondContact O-CB 3.41Å; L7-L11 WeakPolarHBondContact O-CG 3.39Å; L7-L11 PolarHBondContact O-N 2.96Å; E8-L11 WeakPolarHBondContact O-CB 3.28Å; E8-L11 PolarHBondContact O-N 3.19Å; E8-L11 VanDerWaalsContact O-N 3.13Å; L11-V14 PolarHBondContact O-N 2.82Å; L11-Q15 WeakPolarHBondContact O-CB 3.35Å; L11-Q15 VanDerWaalsContact O-CG 3.27Å; L11-Q15 WeakPolarHBondContact O-CG 3.14Å; L11-Q15 PolarHBondContact O-N 2.98Å
12D56.4Low54.8Low98 Ų9884.6 Ų84.652%0.52443%0.433SS..Hα-helixtrans-63.7-45.3177-79.7-19000113.3E8 L10 V14 Q15 E16E8-D12 PolarHBondContact O-N 3.47Å; L10-D12 VanDerWaalsContact C-N 3.32Å; D12-V14 PolarHBondContact O-N 3.19Å; D12-Q15 CarbonylContact O-C 3.6Å; D12-Q15 VanDerWaalsContact O-CA 3.23Å; D12-Q15 WeakPolarHBondContact O-CA 3.35Å; D12-Q15 WeakPolarHBondContact O-CB 3.41Å; D12-Q15 PolarHBondContact O-N 3.34Å; D12-E16 PolarHBondContact O-N 3.46Å
13Q49.5Very low56.1Low122 Ų12283.1 Ų83.157%0.5741%0.411SS*.Hα-helixtrans-64.5-39.5175.6-79.6-164.5-44.400112.6K9 Q15 E16K9-Q13 WeakPolarHBondContact O-CB 3.5Å; K9-Q13 WeakPolarHBondContact O-CG 3.45Å; K9-Q13 PolarHBondContact O-N 2.95Å; Q13-Q15 PolarHBondContact O-N 2.99Å; Q13-E16 WeakPolarHBondContact O-CB 3.38Å; Q13-E16 PolarHBondContact O-N 3.47Å
14V53.4Low57.3Low26 Ų2682.4 Ų82.416%0.15841%0.406CS..Hα-helixtrans-64.2-32.8171.9161.80000110.8L10 L11 D12 E16 Y92 L93 V96L10-V14 VanDerWaalsContact O-CB 3.22Å; L10-V14 WeakPolarHBondContact O-CB 3.35Å; L10-V14 WeakPolarHBondContact O-CG2 3.34Å; L10-V14 PolarHBondContact O-N 3.32Å; L11-V14 PolarHBondContact O-N 2.82Å; D12-V14 PolarHBondContact O-N 3.19Å; V14-E16 VanDerWaalsContact C-N 3.28Å; V14-E16 PolarHBondContact O-N 3.21Å; V14-Y92 HydrophobicContact CB-CE1 4.36Å; V14-Y92 HydrophobicContact CG1-CD1 4.28Å; V14-Y92 HydrophobicContact CG1-CE1 3.69Å; V14-Y92 HydrophobicContact CG2-CE1 3.9Å; V14-L93 HydrophobicContact CB-CD2 4.08Å; V14-L93 HydrophobicContact CG1-CD2 3.88Å; V14-L93 HydrophobicContact CG2-CD2 3.67Å; V14-V96 HydrophobicContact CG2-CG1 4.27Å; V14-V96 HydrophobicContact CG2-CG2 4.05Å
15Q51.2Low58.3Low65 Ų6578.4 Ų78.430%0.30439%0.391SS..THydrogen-bonded Turntrans-8319.7170.7-77.7174.3-138.900113.9L11 D12 Q13 K23L11-Q15 WeakPolarHBondContact O-CB 3.35Å; L11-Q15 VanDerWaalsContact O-CG 3.27Å; L11-Q15 WeakPolarHBondContact O-CG 3.14Å; L11-Q15 PolarHBondContact O-N 2.98Å; D12-Q15 CarbonylContact O-C 3.6Å; D12-Q15 VanDerWaalsContact O-CA 3.23Å; D12-Q15 WeakPolarHBondContact O-CA 3.35Å; D12-Q15 WeakPolarHBondContact O-CB 3.41Å; D12-Q15 PolarHBondContact O-N 3.34Å; Q13-Q15 PolarHBondContact O-N 2.99Å; Q15-K23 HydrophobicContact CB-CD 3.87Å; Q15-K23 HydrophobicContact CB-CG 4.32Å; Q15-K23 HydrophobicContact CG-CB 4.24Å; Q15-K23 HydrophobicContact CG-CD 4.14Å; Q15-K23 HydrophobicContact CG-CG 4.04Å; Q15-K23 WeakPolarHBondContact O-CD 3.29Å; Q15-K23 WeakPolarHBondContact O-CE 3.42Å; Q15-K23 PolarHBondContact O-NZ 2.83Å
16E48.1Very low59.4Low138 Ų13879.1 Ų79.165%0.64539%0.388SS*.THydrogen-bonded Turntrans-93.4-45.9172.6-157.1164.9-176.400111.7D12 Q13 V14 K23D12-E16 PolarHBondContact O-N 3.46Å; Q13-E16 WeakPolarHBondContact O-CB 3.38Å; Q13-E16 PolarHBondContact O-N 3.47Å; V14-E16 VanDerWaalsContact C-N 3.28Å; V14-E16 PolarHBondContact O-N 3.21Å; E16-K23 PolarHBondContact O-NZ 3.4Å
17H49.7Very low60.7Low121 Ų12178.6 Ų78.656%0.5639%0.391SS*.SBendtrans-82.6-15.9-175.2-66.8-38.3000116.3
18S58.7Low62.2Low15 Ų1577.2 Ų77.211%0.10539%0.386CS..SBendtrans-53.3164.2166.5156.80000114.9K23 Y155 E227S18-K23 WeakPolarHBondContact O-CE 3.45Å; S18-K23 PolarHBondContact O-NZ 3.3Å; S18-Y155 WeakPolarHBondContact CB-OH 3.08Å; S18-Y155 PolarHBondContact OG-OH 2.85Å; S18-E227 WeakPolarHBondContact CB-OE1 3.49Å; S18-E227 PolarHBondContact OG-OE1 3.31Å; S18-E227 PolarHBondContact OG-OE2 3.34Å
19T65.1Low63.6Low46 Ų4671.5 Ų71.528%0.28236%0.36SS..  trans-72.1135.5156.9670000108.9I21 G22 K23T19-I21 PolarHBondContact O-N 3.44Å; T19-G22 PolarHBondContact O-N 3.04Å; T19-G22 PolarHBondContact OG1-N 3.03Å; T19-K23 WeakPolarHBondContact O-CE 3.41Å; T19-K23 WeakPolarHBondContact O-CG 3.48Å; T19-K23 PolarHBondContact O-N 3.42Å
20V66.2Low64.7Low98 Ų9868.7 Ų68.759%0.59435%0.348SS*.Hα-helixtrans-58.2-38.8-175.9179.70000111.8K23 I24V20-K23 PolarHBondContact O-N 2.79Å; V20-I24 HydrophobicContact CG1-CD1 3.99Å; V20-I24 WeakPolarHBondContact O-CG1 3.49Å; V20-I24 PolarHBondContact O-N 2.82Å
21I66.3Low66.2Low123 Ų12372.9 Ų72.963%0.63137%0.369SS*.Hα-helixtrans-65.4-44.5179.5-63.1163.1000111.7T19 K23 W25T19-I21 PolarHBondContact O-N 3.44Å; I21-K23 PolarHBondContact O-N 2.74Å; I21-W25 PolarHBondContact O-N 2.93Å
22G67.4Low67.4Low3 Ų373.8 Ų73.83%0.03137%0.37CS..Hα-helixtrans-62.5-41.3178.800000112.7T19 L26T19-G22 PolarHBondContact O-N 3.04Å; T19-G22 PolarHBondContact OG1-N 3.03Å; G22-L26 VanDerWaalsContact O-CB 3.32Å; G22-L26 WeakPolarHBondContact O-CB 3.32Å; G22-L26 VanDerWaalsContact O-CG 3.22Å; G22-L26 WeakPolarHBondContact O-CG 3.3Å; G22-L26 PolarHBondContact O-N 3.5Å
23K71.2Confident68.7Low26 Ų2670.1 Ų70.111%0.11335%0.349CS..Hα-helixtrans-59.8-54.3178.5-59.7160-163.6170.30111.9Q15 E16 S18 T19 V20 I21 W25 L26 T27Q15-K23 HydrophobicContact CB-CD 3.87Å; Q15-K23 HydrophobicContact CB-CG 4.32Å; Q15-K23 HydrophobicContact CG-CB 4.24Å; Q15-K23 HydrophobicContact CG-CD 4.14Å; Q15-K23 HydrophobicContact CG-CG 4.04Å; Q15-K23 WeakPolarHBondContact O-CD 3.29Å; Q15-K23 WeakPolarHBondContact O-CE 3.42Å; Q15-K23 PolarHBondContact O-NZ 2.83Å; E16-K23 PolarHBondContact O-NZ 3.4Å; S18-K23 WeakPolarHBondContact O-CE 3.45Å; S18-K23 PolarHBondContact O-NZ 3.3Å; T19-K23 WeakPolarHBondContact O-CE 3.41Å; T19-K23 WeakPolarHBondContact O-CG 3.48Å; T19-K23 PolarHBondContact O-N 3.42Å; V20-K23 PolarHBondContact O-N 2.79Å; I21-K23 PolarHBondContact O-N 2.74Å; K23-W25 VanDerWaalsContact C-N 3.32Å; K23-W25 PolarHBondContact O-N 3.07Å; K23-L26 PolarHBondContact O-N 3.44Å; K23-T27 PolarHBondContact O-N 2.96Å; K23-T27 PolarHBondContact O-OG1 2.7Å
24I75.9Confident70.5Confident104 Ų10468.2 Ų68.253%0.53334%0.342SS..Hα-helixtrans-58.6-48.3-176.9-65.2166.9000109.5V20 V28V20-I24 HydrophobicContact CG1-CD1 3.99Å; V20-I24 WeakPolarHBondContact O-CG1 3.49Å; V20-I24 PolarHBondContact O-N 2.82Å; I24-V28 WeakPolarHBondContact O-CB 3.42Å; I24-V28 VanDerWaalsContact O-CG2 3.24Å; I24-V28 WeakPolarHBondContact O-CG2 3.42Å; I24-V28 PolarHBondContact O-N 3.48Å
25W74.3Confident72Confident116 Ų11671 Ų7144%0.43936%0.355SS..Hα-helixtrans-65.2-45.2178.3-90.690000113.2I21 K23 T27 V28 L29 I219 L223I21-W25 PolarHBondContact O-N 2.93Å; K23-W25 VanDerWaalsContact C-N 3.32Å; K23-W25 PolarHBondContact O-N 3.07Å; W25-T27 VanDerWaalsContact C-N 3.32Å; W25-T27 PolarHBondContact O-N 3.49Å; W25-V28 PolarHBondContact O-N 2.96Å; W25-L29 HydrophobicContact CE3-CD1 4.28Å; W25-L29 HydrophobicContact CE3-CD2 4.1Å; W25-L29 HydrophobicContact CE3-CG 4.08Å; W25-L29 HydrophobicContact CZ3-CD2 4.23Å; W25-L29 WeakPolarHBondContact O-CB 3.19Å; W25-L29 WeakPolarHBondContact O-CG 3.39Å; W25-L29 PolarHBondContact O-N 3.1Å; W25-I219 HydrophobicContact CE3-CG2 3.83Å; W25-I219 HydrophobicContact CZ3-CD1 4.4Å; W25-I219 HydrophobicContact CZ3-CG2 3.84Å; W25-L223 HydrophobicContact CB-CD1 3.39Å; W25-L223 HydrophobicContact CD2-CD1 4.32Å; W25-L223 HydrophobicContact CE3-CD1 4.4Å; W25-L223 HydrophobicContact CG-CD1 3.95Å
26L73.1Confident73.5Confident41 Ų4168.3 Ų68.322%0.21534%0.343CS..Hα-helixtrans-61.5-39.9179.6-73.3172.5000112G22 K23 F30G22-L26 VanDerWaalsContact O-CB 3.32Å; G22-L26 WeakPolarHBondContact O-CB 3.32Å; G22-L26 VanDerWaalsContact O-CG 3.22Å; G22-L26 WeakPolarHBondContact O-CG 3.3Å; G22-L26 PolarHBondContact O-N 3.5Å; K23-L26 PolarHBondContact O-N 3.44Å; L26-F30 VanDerWaalsContact O-CB 3.23Å; L26-F30 WeakPolarHBondContact O-CB 3.47Å; L26-F30 PolarHBondContact O-N 2.88Å
27T78.9Confident75.2Confident60 Ų6063.1 Ų63.137%0.36832%0.32SS..Hα-helixtrans-65.1-43.8174.3-60.60000111.8K23 W25 F30 I31K23-T27 PolarHBondContact O-N 2.96Å; K23-T27 PolarHBondContact O-OG1 2.7Å; W25-T27 VanDerWaalsContact C-N 3.32Å; W25-T27 PolarHBondContact O-N 3.49Å; T27-F30 WeakPolarHBondContact O-CB 3.37Å; T27-F30 PolarHBondContact O-N 2.95Å; T27-I31 HydrophobicContact CG2-CD1 4.06Å; T27-I31 WeakPolarHBondContact O-CG1 3.24Å; T27-I31 PolarHBondContact O-N 3.12Å
28V81.4Confident76.7Confident56 Ų5660 Ų6034%0.33932%0.32SS..Hα-helixtrans-63.4-46.8176.9167.90000111.6I24 W25 F30 I31 F32I24-V28 WeakPolarHBondContact O-CB 3.42Å; I24-V28 VanDerWaalsContact O-CG2 3.24Å; I24-V28 WeakPolarHBondContact O-CG2 3.42Å; I24-V28 PolarHBondContact O-N 3.48Å; W25-V28 PolarHBondContact O-N 2.96Å; V28-F30 VanDerWaalsContact C-N 3.29Å; V28-F30 PolarHBondContact O-N 2.86Å; V28-I31 PolarHBondContact O-N 3.29Å; V28-F32 HydrophobicContact CG1-CD2 3.61Å; V28-F32 HydrophobicContact CG1-CE2 3.52Å; V28-F32 VanDerWaalsContact O-CD2 3.25Å; V28-F32 WeakPolarHBondContact O-CD2 3.43Å; V28-F32 PolarHBondContact O-N 3.32Å
29L80.9Confident77.7Confident7 Ų764.9 Ų64.94%0.03734%0.344CS..Hα-helixtrans-60.3-37.7176.1-67.4169.1000111.9W25 R33 M216 I219 L223W25-L29 HydrophobicContact CE3-CD1 4.28Å; W25-L29 HydrophobicContact CE3-CD2 4.1Å; W25-L29 HydrophobicContact CE3-CG 4.08Å; W25-L29 HydrophobicContact CZ3-CD2 4.23Å; W25-L29 WeakPolarHBondContact O-CB 3.19Å; W25-L29 WeakPolarHBondContact O-CG 3.39Å; W25-L29 PolarHBondContact O-N 3.1Å; L29-R33 PolarHBondContact O-N 3.42Å; L29-M216 HydrophobicContact CD2-CB 4.23Å; L29-M216 HydrophobicContact CD2-CE 3.49Å; L29-M216 VanDerWaalsContact CD2-CE 3.49Å; L29-M216 HydrophobicContact CD2-CG 4.5Å; L29-M216 HydrophobicContact CD2-SD 3.51Å; L29-M216 VanDerWaalsContact CD2-SD 3.51Å; L29-I219 HydrophobicContact CD1-CG2 4.18Å; L29-I219 HydrophobicContact CD2-CG2 4.38Å; L29-L223 HydrophobicContact CD1-CD1 3.89Å
30F80.2Confident78.2Confident95 Ų9562.7 Ų62.742%0.41733%0.331SS..Hα-helixtrans-66.6-44.8176.4-177-95.2000112.2L26 T27 V28 R33 I34 F82L26-F30 VanDerWaalsContact O-CB 3.23Å; L26-F30 WeakPolarHBondContact O-CB 3.47Å; L26-F30 PolarHBondContact O-N 2.88Å; T27-F30 WeakPolarHBondContact O-CB 3.37Å; T27-F30 PolarHBondContact O-N 2.95Å; V28-F30 VanDerWaalsContact C-N 3.29Å; V28-F30 PolarHBondContact O-N 2.86Å; F30-R33 WeakPolarHBondContact O-CB 3.44Å; F30-R33 PolarHBondContact O-N 2.84Å; F30-I34 HydrophobicContact CD1-CD1 3.87Å; F30-I34 HydrophobicContact CE1-CD1 3.41Å; F30-I34 VanDerWaalsContact CE1-CD1 3.41Å; F30-I34 HydrophobicContact CZ-CD1 3.9Å; F30-I34 PolarHBondContact O-N 3.06Å; F30-I34 VanDerWaalsContact O-N 3.12Å; F30-F82 AromaticContact CD2-CE2 3.78Å; F30-F82 HydrophobicContact CD2-CE2 3.78Å; F30-F82 HydrophobicContact CE1-CE2 4.47Å; F30-F82 HydrophobicContact CE2-CD2 4.29Å; F30-F82 AromaticContact CE2-CE2 3.29Å; F30-F82 HydrophobicContact CE2-CE2 3.29Å; F30-F82 AromaticContact CE2-CZ 3.62Å; F30-F82 HydrophobicContact CE2-CZ 3.62Å; F30-F82 AromaticContact CZ-CE2 3.69Å; F30-F82 HydrophobicContact CZ-CE2 3.69Å; F30-F82 AromaticContact CZ-CZ 3.64Å; F30-F82 HydrophobicContact CZ-CZ 3.64Å
31I84.6Confident78.8Confident99 Ų9958.7 Ų58.751%0.50831%0.31SS..Hα-helixtrans-61.7-47175.1-68164.8000110.6T27 V28 R33 I34 L35T27-I31 HydrophobicContact CG2-CD1 4.06Å; T27-I31 WeakPolarHBondContact O-CG1 3.24Å; T27-I31 PolarHBondContact O-N 3.12Å; V28-I31 PolarHBondContact O-N 3.29Å; I31-R33 VanDerWaalsContact C-N 3.3Å; I31-R33 PolarHBondContact O-N 3.09Å; I31-I34 PolarHBondContact O-N 3.19Å; I31-L35 WeakPolarHBondContact O-CB 3.46Å; I31-L35 PolarHBondContact O-N 2.91Å
32F82.1Confident79.3Confident91 Ų9161.1 Ų61.140%0.39932%0.318SS..Hα-helixtrans-61.6-35.9177.1-83.3-64.1000113V28 L35 I36 M216V28-F32 HydrophobicContact CG1-CD2 3.61Å; V28-F32 HydrophobicContact CG1-CE2 3.52Å; V28-F32 VanDerWaalsContact O-CD2 3.25Å; V28-F32 WeakPolarHBondContact O-CD2 3.43Å; V28-F32 PolarHBondContact O-N 3.32Å; F32-L35 PolarHBondContact O-N 3.32Å; F32-I36 PolarHBondContact O-N 3.49Å; F32-M216 HydrophobicContact CB-CE 3.38Å; F32-M216 HydrophobicContact CD2-CE 3.63Å; F32-M216 HydrophobicContact CG-CE 3.68Å
33R85.6Confident80.2Confident20 Ų2064.4 Ų64.48%0.07534%0.341CS..Hα-helixtrans-60.2-49.1172.3-94.7-172.4165.9147.36.8112.3L29 F30 I31 L35 I36 L37 F82 E166 M213L29-R33 PolarHBondContact O-N 3.42Å; F30-R33 WeakPolarHBondContact O-CB 3.44Å; F30-R33 PolarHBondContact O-N 2.84Å; I31-R33 VanDerWaalsContact C-N 3.3Å; I31-R33 PolarHBondContact O-N 3.09Å; R33-L35 VanDerWaalsContact C-N 3.32Å; R33-L35 PolarHBondContact O-N 2.78Å; R33-I36 PolarHBondContact O-N 3.36Å; R33-L37 WeakPolarHBondContact O-CB 3.42Å; R33-L37 VanDerWaalsContact O-CG 3.31Å; R33-L37 WeakPolarHBondContact O-CG 3.45Å; R33-L37 PolarHBondContact O-N 3.35Å; R33-F82 HydrophobicContact CB-CD2 4.36Å; R33-E166 IonicContact CZ-OE1 3.42Å; R33-E166 IonicContact CZ-OE2 3.6Å; R33-E166 IonicContact NH1-OE1 3.91Å; R33-E166 IonicContact NH1-OE2 3.62Å; R33-E166 PolarHBondContact NH1-OE2 2.65Å; R33-E166 IonicContact NH2-OE1 3.91Å; R33-E166 PolarHBondContact NH2-OE1 2.93Å; R33-E166 IonicContact NH2-OE2 2.69Å; R33-E166 PolarHBondContact NH2-OE2 3.21Å; R33-M213 HydrophobicContact CG-CE 4.32Å; R33-M213 HydrophobicContact CG-SD 4.5Å
34I85.7Confident80.9Confident82 Ų8263.2 Ų63.242%0.42134%0.335SS..Hα-helixtrans-62.7-43.2178.5-66.5171.8000110.3F30 I31 I36 L37 G38 F82F30-I34 HydrophobicContact CD1-CD1 3.87Å; F30-I34 HydrophobicContact CE1-CD1 3.41Å; F30-I34 VanDerWaalsContact CE1-CD1 3.41Å; F30-I34 HydrophobicContact CZ-CD1 3.9Å; F30-I34 PolarHBondContact O-N 3.06Å; F30-I34 VanDerWaalsContact O-N 3.12Å; I31-I34 PolarHBondContact O-N 3.19Å; I34-I36 PolarHBondContact O-N 3.42Å; I34-L37 PolarHBondContact O-N 2.91Å; I34-G38 PolarHBondContact O-N 3.44Å; I34-F82 HydrophobicContact CD1-CE2 4.03Å; I34-F82 HydrophobicContact CD1-CZ 3.98Å; I34-F82 HydrophobicContact CG1-CE2 3.62Å; I34-F82 HydrophobicContact CG1-CZ 3.84Å
35L85.3Confident81.6Confident84 Ų8458.6 Ų58.644%0.4431%0.311SS..Hα-helixtrans-61.1-41.5179-178.5137.3000112.2I31 F32 R33 L39I31-L35 WeakPolarHBondContact O-CB 3.46Å; I31-L35 PolarHBondContact O-N 2.91Å; F32-L35 PolarHBondContact O-N 3.32Å; R33-L35 VanDerWaalsContact C-N 3.32Å; R33-L35 PolarHBondContact O-N 2.78Å; L35-L39 HydrophobicContact CD1-CD1 4.28Å; L35-L39 HydrophobicContact CD2-CD1 3.76Å; L35-L39 HydrophobicContact CG-CD1 3.73Å; L35-L39 HydrophobicContact CG-CG 4.3Å; L35-L39 VanDerWaalsContact O-CB 3.29Å; L35-L39 WeakPolarHBondContact O-CB 3.22Å; L35-L39 VanDerWaalsContact O-CG 3.32Å; L35-L39 WeakPolarHBondContact O-CG 3.14Å; L35-L39 PolarHBondContact O-N 3.38Å
36I82.1Confident82.2Confident9 Ų955.9 Ų55.95%0.04632%0.32CS..Hα-helixtrans-70.7-42.6175.9-72.8176.7000111.8F32 R33 I34 G38 A40 F209 F212 M213F32-I36 PolarHBondContact O-N 3.49Å; R33-I36 PolarHBondContact O-N 3.36Å; I34-I36 PolarHBondContact O-N 3.42Å; I36-G38 VanDerWaalsContact C-N 3.26Å; I36-G38 PolarHBondContact O-N 3.33Å; I36-A40 HydrophobicContact CG2-CB 4.18Å; I36-A40 VanDerWaalsContact O-CB 3.26Å; I36-A40 WeakPolarHBondContact O-CB 3.43Å; I36-A40 PolarHBondContact O-N 2.66Å; I36-F209 HydrophobicContact CG2-CD1 4.16Å; I36-F212 HydrophobicContact CD1-CD1 3.18Å; I36-F212 HydrophobicContact CD1-CE1 3.25Å; I36-F212 HydrophobicContact CD1-CG 4.22Å; I36-F212 HydrophobicContact CD1-CZ 4.33Å; I36-M213 HydrophobicContact CB-SD 4.28Å; I36-M213 HydrophobicContact CD1-SD 4.08Å; I36-M213 HydrophobicContact CG2-CG 4.21Å; I36-M213 HydrophobicContact CG2-SD 3.94Å
37L84Confident82.9Confident30 Ų3055.1 Ų55.116%0.15732%0.316CS..Hα-helixtrans-59.3-38.5176-73.4175.3000112R33 I34 W78 V79 F82R33-L37 WeakPolarHBondContact O-CB 3.42Å; R33-L37 VanDerWaalsContact O-CG 3.31Å; R33-L37 WeakPolarHBondContact O-CG 3.45Å; R33-L37 PolarHBondContact O-N 3.35Å; I34-L37 PolarHBondContact O-N 2.91Å; L37-W78 HydrophobicContact CD2-CB 3.72Å; L37-V79 HydrophobicContact CD1-CG2 4.39Å; L37-V79 HydrophobicContact CD2-CG2 3.84Å; L37-F82 HydrophobicContact CD1-CB 3.96Å; L37-F82 HydrophobicContact CD1-CD2 4.47Å; L37-F82 HydrophobicContact CD1-CG 4.11Å
38G82.1Confident83.4Confident55 Ų5553.7 Ų53.757%0.56731%0.305SS*.Hα-helixtrans-76.5-49.6177.200000114.1I34 I36I34-G38 PolarHBondContact O-N 3.44Å; I36-G38 VanDerWaalsContact C-N 3.26Å; I36-G38 PolarHBondContact O-N 3.33Å
39L79.5Confident83.8Confident117 Ų11756.5 Ų56.561%0.61331%0.314SS*.Hα-helixtrans-78.6-46.3-174.3-65.1-178.8000113L35 S43L35-L39 HydrophobicContact CD1-CD1 4.28Å; L35-L39 HydrophobicContact CD2-CD1 3.76Å; L35-L39 HydrophobicContact CG-CD1 3.73Å; L35-L39 HydrophobicContact CG-CG 4.3Å; L35-L39 VanDerWaalsContact O-CB 3.29Å; L35-L39 WeakPolarHBondContact O-CB 3.22Å; L35-L39 VanDerWaalsContact O-CG 3.32Å; L35-L39 WeakPolarHBondContact O-CG 3.14Å; L35-L39 PolarHBondContact O-N 3.38Å; L39-S43 WeakPolarHBondContact O-CB 3.43Å; L39-S43 PolarHBondContact O-OG 3.06Å
40A76.1Confident84.3Confident1 Ų160.2 Ų60.21%0.00834%0.341CS..Hα-helixtrans-83.3-23.5-175.100000112.3I36 E42 V44 W45 F209I36-A40 HydrophobicContact CG2-CB 4.18Å; I36-A40 VanDerWaalsContact O-CB 3.26Å; I36-A40 WeakPolarHBondContact O-CB 3.43Å; I36-A40 PolarHBondContact O-N 2.66Å; A40-E42 PolarHBondContact O-N 2.78Å; A40-V44 HydrophobicContact CB-CG2 4.2Å; A40-V44 WeakPolarHBondContact O-CB 3.45Å; A40-V44 PolarHBondContact O-N 2.64Å; A40-W45 HydrophobicContact CB-CE3 4.46Å; A40-W45 HydrophobicContact CB-CZ3 4Å; A40-F209 HydrophobicContact CB-CD1 3.96Å; A40-F209 HydrophobicContact CB-CE1 3.71Å; A40-F209 HydrophobicContact CB-CE2 4.37Å; A40-F209 HydrophobicContact CB-CG 4.39Å; A40-F209 HydrophobicContact CB-CZ 3.94Å
41G78.6Confident85Confident14 Ų1459.5 Ų59.514%0.14434%0.341CS..Hα-helixtrans-49.8-60.9-17800000113.5
42E77.1Confident85.5Confident173 Ų17355 Ų5581%0.80832%0.318SS*.Hα-helixtrans-83.1-37.3-179-61.7-173.4165.300112.6A40 G46A40-E42 PolarHBondContact O-N 2.78Å; E42-G46 VanDerWaalsContact O-CA 3.28Å; E42-G46 WeakPolarHBondContact O-CA 3.25Å; E42-G46 PolarHBondContact O-N 3.03Å; E42-G46 VanDerWaalsContact O-N 3.09Å
43S84.9Confident86.1Confident72 Ų7254.8 Ų54.850%0.50332%0.324SS..Hα-helixtrans-76.2-30.3-172.3640000114.8L39L39-S43 WeakPolarHBondContact O-CB 3.43Å; L39-S43 PolarHBondContact O-OG 3.06Å
44V87.4Confident86.6Confident1 Ų154.3 Ų54.31%0.00632%0.324CS..Hα-helixtrans-110.1-31.1-174.3-176.20000112A40 E205 K206 F209A40-V44 HydrophobicContact CB-CG2 4.2Å; A40-V44 WeakPolarHBondContact O-CB 3.45Å; A40-V44 PolarHBondContact O-N 2.64Å; V44-E205 HydrophobicContact CG1-CG 3.94Å; V44-E205 HydrophobicContact CG2-CG 4.26Å; V44-K206 HydrophobicContact CG1-CG 3.66Å; V44-K206 WeakPolarHBondContact O-CE 3.36Å; V44-K206 PolarHBondContact O-NZ 3.4Å; V44-F209 HydrophobicContact CG1-CD2 4.29Å; V44-F209 HydrophobicContact CG1-CE2 4.49Å; V44-F209 HydrophobicContact CG2-CD2 4.24Å; V44-F209 HydrophobicContact CG2-CE2 3.69Å; V44-F209 HydrophobicContact CG2-CZ 4.31Å
45W89.3Confident87.1Confident7 Ų756.1 Ų56.13%0.02733%0.334CS..Hα-helixtrans-110-4.1178.1-76.9-91.4000114.5A40 D47 E48 H74 I75 W78 K206 F209A40-W45 HydrophobicContact CB-CE3 4.46Å; A40-W45 HydrophobicContact CB-CZ3 4Å; W45-D47 PolarHBondContact O-N 3.1Å; W45-E48 VanDerWaalsContact O-CB 3.27Å; W45-E48 WeakPolarHBondContact O-CB 3.4Å; W45-E48 WeakPolarHBondContact O-CG 3.35Å; W45-E48 PolarHBondContact O-N 2.98Å; W45-E48 VanDerWaalsContact O-N 3.1Å; W45-H74 HydrophobicContact CZ2-CB 3.85Å; W45-I75 HydrophobicContact CB-CG1 3.74Å; W45-I75 HydrophobicContact CD2-CD1 3.95Å; W45-I75 HydrophobicContact CD2-CG1 3.66Å; W45-I75 HydrophobicContact CE3-CD1 3.45Å; W45-I75 VanDerWaalsContact CE3-CD1 3.45Å; W45-I75 HydrophobicContact CE3-CG1 3.67Å; W45-I75 HydrophobicContact CG-CG1 3.7Å; W45-I75 HydrophobicContact CZ3-CD1 3.85Å; W45-I75 HydrophobicContact CZ3-CG1 4.48Å; W45-W78 AromaticContact CH2-CH2 3.44Å; W45-W78 HydrophobicContact CH2-CH2 3.44Å; W45-W78 VanDerWaalsContact CH2-CH2 3.44Å; W45-W78 AromaticContact CH2-CZ3 3.48Å; W45-W78 HydrophobicContact CH2-CZ3 3.48Å; W45-W78 VanDerWaalsContact CH2-CZ3 3.48Å; W45-W78 AromaticContact CZ2-CH2 3.8Å; W45-W78 HydrophobicContact CZ2-CH2 3.8Å; W45-W78 HydrophobicContact CZ2-CZ3 4.04Å; W45-W78 HydrophobicContact CZ3-CH2 4.28Å; W45-W78 AromaticContact CZ3-CZ3 3.85Å; W45-W78 HydrophobicContact CZ3-CZ3 3.85Å; W45-K206 HydrophobicContact CD2-CG 4.39Å; W45-K206 HydrophobicContact CH2-CB 4.47Å; W45-K206 HydrophobicContact CH2-CG 4.32Å; W45-K206 HydrophobicContact CZ2-CB 3.89Å; W45-K206 HydrophobicContact CZ2-CG 3.75Å; W45-F209 HydrophobicContact CH2-CB 3.63Å; W45-F209 HydrophobicContact CH2-CD2 4.46Å; W45-F209 HydrophobicContact CH2-CG 4.25Å; W45-F209 HydrophobicContact CZ3-CB 4.13Å; W45-F209 HydrophobicContact CZ3-CD2 4.37Å; W45-F209 HydrophobicContact CZ3-CG 4.28Å
46G86.5Confident87.6Confident60 Ų6053.9 Ų53.962%0.61932%0.324SS*.THydrogen-bonded Turntrans-60.9-30.2175.500000113.8E42E42-G46 VanDerWaalsContact O-CA 3.28Å; E42-G46 WeakPolarHBondContact O-CA 3.25Å; E42-G46 PolarHBondContact O-N 3.03Å; E42-G46 VanDerWaalsContact O-N 3.09Å
47D88.8Confident88.2Confident24 Ų2463.7 Ų63.713%0.12837%0.366CS..THydrogen-bonded Turntrans-937.7177.16721.4000114.2W45 Q49 S50 D51 S201 R202 K206W45-D47 PolarHBondContact O-N 3.1Å; D47-Q49 PolarHBondContact O-N 3.34Å; D47-Q49 VanDerWaalsContact O-N 3.1Å; D47-S50 WeakPolarHBondContact CA-OG 3.5Å; D47-S50 PolarHBondContact O-N 2.91Å; D47-S50 PolarHBondContact O-OG 3.42Å; D47-D51 HydrophobicContact CB-CB 4.44Å; D47-D51 WeakPolarHBondContact O-CB 3.4Å; D47-D51 PolarHBondContact O-N 3Å; D47-D51 VanDerWaalsContact O-N 3.09Å; D47-S201 PolarHBondContact OD1-OG 3.25Å; D47-S201 VanDerWaalsContact OD1-OG 3.06Å; D47-R202 IonicContact OD1-NE 3.5Å; D47-R202 IonicContact OD2-CZ 3.15Å; D47-R202 IonicContact OD2-NE 2.74Å; D47-R202 PolarHBondContact OD2-NE 3.19Å; D47-R202 IonicContact OD2-NH2 2.75Å; D47-R202 PolarHBondContact OD2-NH2 2.92Å; D47-K206 IonicContact OD1-NZ 3Å; D47-K206 PolarHBondContact OD1-NZ 3.42Å
48E89.1Confident88.7Confident30 Ų3066 Ų6614%0.1438%0.376CS..THydrogen-bonded Turntrans-61.1-30.1-167.172.4175.5157.800114.4W45 Y66 S73W45-E48 VanDerWaalsContact O-CB 3.27Å; W45-E48 WeakPolarHBondContact O-CB 3.4Å; W45-E48 WeakPolarHBondContact O-CG 3.35Å; W45-E48 PolarHBondContact O-N 2.98Å; W45-E48 VanDerWaalsContact O-N 3.1Å; E48-Y66 HydrophobicContact CG-CE2 4.35Å; E48-Y66 VanDerWaalsContact CG-OH 3.29Å; E48-Y66 WeakPolarHBondContact CG-OH 3.49Å; E48-Y66 WeakPolarHBondContact O-CE2 3.39Å; E48-Y66 PolarHBondContact OE1-OH 3.15Å; E48-S73 WeakPolarHBondContact OE1-CB 3.45Å; E48-S73 PolarHBondContact OE1-OG 2.61Å; E48-S73 WeakPolarHBondContact OE2-CB 3.41Å
49Q90.2Very high89.3Confident115 Ų11568.2 Ų68.254%0.53738%0.381SS..THydrogen-bonded Turntrans-101.1-30.4-179.7-171.3177.7-7.100113.1D47 Y66D47-Q49 PolarHBondContact O-N 3.34Å; D47-Q49 VanDerWaalsContact O-N 3.1Å; Q49-Y66 HydrophobicContact CB-CD2 4.46Å; Q49-Y66 HydrophobicContact CB-CE1 4.24Å; Q49-Y66 HydrophobicContact CB-CE2 4.03Å; Q49-Y66 HydrophobicContact CG-CD1 4.06Å; Q49-Y66 HydrophobicContact CG-CD2 4.38Å; Q49-Y66 HydrophobicContact CG-CE1 4.04Å; Q49-Y66 HydrophobicContact CG-CE2 4.36Å; Q49-Y66 HydrophobicContact CG-CG 4.25Å
50S91.8Very high90.1Very high85 Ų8564.4 Ų64.459%0.59437%0.369SS*.THydrogen-bonded Turntrans-69.2-38.3178.256.20000111.7D47D47-S50 WeakPolarHBondContact CA-OG 3.5Å; D47-S50 PolarHBondContact O-N 2.91Å; D47-S50 PolarHBondContact O-OG 3.42Å
51D93.6Very high91Very high80 Ų8064.3 Ų64.343%0.42837%0.369SS..SBendtrans-101.810.6-171.3-66.129.8000111.6D47 V53D47-D51 HydrophobicContact CB-CB 4.44Å; D47-D51 WeakPolarHBondContact O-CB 3.4Å; D47-D51 PolarHBondContact O-N 3Å; D47-D51 VanDerWaalsContact O-N 3.09Å; D51-V53 PolarHBondContact O-N 3.4Å
52F94.9Very high91.8Very high5 Ų565.7 Ų65.72%0.02238%0.375CS..  trans-82.898.4168.9-175.9-95.5000109.8C54 T62 C65 Y66 A69 F70 C198 I200F52-C54 VanDerWaalsContact CE1-SG 3.57Å; F52-T62 HydrophobicContact CD1-CG2 3.86Å; F52-T62 HydrophobicContact CE1-CG2 4.45Å; F52-T62 WeakPolarHBondContact O-CG2 3.29Å; F52-C65 HydrophobicContact CE1-CB 4.03Å; F52-C65 HydrophobicContact CZ-CB 4.36Å; F52-Y66 HydrophobicContact CB-CD2 4Å; F52-Y66 HydrophobicContact CD1-CD2 4.15Å; F52-Y66 HydrophobicContact CD1-CG 4.42Å; F52-Y66 HydrophobicContact CD2-CD2 4.23Å; F52-Y66 AromaticContact CG-CD2 3.88Å; F52-Y66 HydrophobicContact CG-CD2 3.88Å; F52-A69 HydrophobicContact CE2-CB 4.35Å; F52-A69 HydrophobicContact CZ-CB 4.33Å; F52-F70 HydrophobicContact CD2-CE2 4.19Å; F52-F70 HydrophobicContact CE2-CE2 4.08Å; F52-C198 HydrophobicContact CE1-CB 3.79Å; F52-C198 HydrophobicContact CE2-CB 3.99Å; F52-C198 HydrophobicContact CZ-CB 3.41Å; F52-C198 VanDerWaalsContact CZ-CB 3.41Å; F52-I200 HydrophobicContact CD2-CG1 4.09Å; F52-I200 HydrophobicContact CE2-CG1 3.93Å
53V95.5Very high92.7Very high87 Ų8762.4 Ų62.453%0.52736%0.363SS..EExtended strand (participates in β ladder)trans-107.7122.8-171.8-178.20000110.9D51 C198 F199D51-V53 PolarHBondContact O-N 3.4Å; V53-C198 CarbonylContact O-C 3.55Å; V53-C198 WeakPolarHBondContact O-CA 3.23Å; V53-F199 PolarHBondContact N-O 2.92Å; V53-F199 PolarHBondContact O-N 2.98Å
54C96.5Very high93.2Very high9 Ų960.7 Ų60.76%0.06135%0.349CS..EExtended strand (participates in β ladder)trans-99.5139.5171.9-60.20000111.6F52 T56 D197 C198F52-C54 VanDerWaalsContact CE1-SG 3.57Å; C54-T56 HydrophobicContact CB-CG2 3.93Å; C54-T56 PolarHBondContact O-N 3.38Å; C54-D197 CarbonylContact C-O 3.39Å; C54-D197 WeakPolarHBondContact CA-O 3.45Å; C54-C198 HydrophobicContact CB-CB 4.07Å; C54-C198 WeakPolarHBondContact CB-SG 3.14Å; C54-C198 WeakPolarHBondContact SG-CB 3.5Å; C54-C198 CovalentContact SG-SG 2.04Å; C54-C198 PolarHBondContact SG-SG 3.44Å
55N95.9Very high93.6Very high121 Ų12160.6 Ų60.665%0.64735%0.349SS*.SBendtrans-74.974.1175.3-172.210000110.9D197N55-D197 PolarHBondContact N-O 3.06Å
56T95.4Very high93.9Very high36 Ų3661.6 Ų61.622%0.22135%0.352CS..  trans-159.1153.3-178.9-172.70000110.7C54 Q58 C61C54-T56 HydrophobicContact CB-CG2 3.93Å; C54-T56 PolarHBondContact O-N 3.38Å; T56-Q58 WeakPolarHBondContact OG1-CB 3.37Å; T56-Q58 PolarHBondContact OG1-N 2.99Å; T56-Q58 VanDerWaalsContact OG1-N 3.14Å; T56-C61 HydrophobicContact CG2-CB 3.99Å
57K94.5Very high94.3Very high215 Ų21562.7 Ų62.794%0.93534%0.344SS*.  trans-101.82.5169-66-177177.9-179.40112.6P59K57-P59 WeakPolarHBondContact O-CD 3.39Å
58Q94.8Very high94.5Very high79 Ų7966.2 Ų66.237%0.36936%0.358SS..  trans-74120.5-176.6-177.762.522.600111.1T56 C61 P191T56-Q58 WeakPolarHBondContact OG1-CB 3.37Å; T56-Q58 PolarHBondContact OG1-N 2.99Å; T56-Q58 VanDerWaalsContact OG1-N 3.14Å; Q58-C61 HydrophobicContact CB-CB 4.04Å; Q58-C61 HydrophobicContact CG-CB 4.15Å; Q58-C61 WeakPolarHBondContact O-CB 3.49Å; Q58-C61 PolarHBondContact O-N 3.39Å; Q58-P191 WeakPolarHBondContact CG-O 3.29Å
59P95.8Very high94.7Very high102 Ų10265.6 Ų65.666%0.66236%0.358SS*.THydrogen-bonded Turntrans-61.2143177.225.7-34.7000111.4K57 C61K57-P59 WeakPolarHBondContact O-CD 3.39Å; P59-C61 PolarHBondContact O-N 2.86Å; P59-C61 VanDerWaalsContact O-N 3.11Å
60G94.9Very high94.8Very high36 Ų3661.1 Ų61.137%0.37134%0.337SS..THydrogen-bonded Turntrans76.2-18.2179.600000115.9T62 N63 V64G60-T62 PolarHBondContact O-N 2.9Å; G60-N63 PolarHBondContact O-N 3.39Å; G60-V64 PolarHBondContact O-N 2.85Å
61C96.1Very high94.9Very high0 Ų061.4 Ų61.40%034%0.337CS..Hα-helixtrans-59.4-44.3-179.4175.40000112.2T56 Q58 P59 N63 V64 C65 C192T56-C61 HydrophobicContact CG2-CB 3.99Å; Q58-C61 HydrophobicContact CB-CB 4.04Å; Q58-C61 HydrophobicContact CG-CB 4.15Å; Q58-C61 WeakPolarHBondContact O-CB 3.49Å; Q58-C61 PolarHBondContact O-N 3.39Å; P59-C61 PolarHBondContact O-N 2.86Å; P59-C61 VanDerWaalsContact O-N 3.11Å; C61-N63 VanDerWaalsContact C-N 3.32Å; C61-N63 PolarHBondContact O-N 2.89Å; C61-V64 VanDerWaalsContact O-CG2 3.22Å; C61-V64 WeakPolarHBondContact O-CG2 3.48Å; C61-V64 PolarHBondContact O-N 3.44Å; C61-C65 WeakPolarHBondContact O-CB 3.47Å; C61-C65 PolarHBondContact O-N 3.39Å; C61-C65 PolarHBondContact O-SG 2.91Å; C61-C192 VanDerWaalsContact CA-SG 3.53Å; C61-C192 HydrophobicContact CB-CB 4.11Å; C61-C192 WeakPolarHBondContact CB-SG 2.97Å; C61-C192 WeakPolarHBondContact SG-CB 3.04Å; C61-C192 CovalentContact SG-SG 2.03Å; C61-C192 PolarHBondContact SG-SG 2.84Å
62T95.3Very high94.9Very high43 Ų4359.8 Ų59.826%0.26433%0.328SS..Hα-helixtrans-56.1-44.5175.5-50.20000112.5F52 G60 C65 Y66F52-T62 HydrophobicContact CD1-CG2 3.86Å; F52-T62 HydrophobicContact CE1-CG2 4.45Å; F52-T62 WeakPolarHBondContact O-CG2 3.29Å; G60-T62 PolarHBondContact O-N 2.9Å; T62-C65 PolarHBondContact O-N 3.36Å; T62-Y66 WeakPolarHBondContact O-CB 3.33Å; T62-Y66 PolarHBondContact O-N 3.4Å
63N95.3Very high94.7Very high103 Ų10359.8 Ų59.855%0.55133%0.329SS*.Hα-helixtrans-65.2-45.3-177.4-63.61.1000112G60 C61 C65 Y66 D67G60-N63 PolarHBondContact O-N 3.39Å; C61-N63 VanDerWaalsContact C-N 3.32Å; C61-N63 PolarHBondContact O-N 2.89Å; N63-C65 VanDerWaalsContact C-N 3.3Å; N63-C65 PolarHBondContact O-N 3.4Å; N63-Y66 PolarHBondContact O-N 2.92Å; N63-D67 WeakPolarHBondContact O-CB 3.44Å; N63-D67 PolarHBondContact O-N 3.22Å
64V96.1Very high94.4Very high36 Ų3655.7 Ų55.722%0.21830%0.303CS..Hα-helixtrans-72.3-25.7-179.9-57.90000112.8G60 C61 K68 R189 D190G60-V64 PolarHBondContact O-N 2.85Å; C61-V64 VanDerWaalsContact O-CG2 3.22Å; C61-V64 WeakPolarHBondContact O-CG2 3.48Å; C61-V64 PolarHBondContact O-N 3.44Å; V64-K68 WeakPolarHBondContact O-CB 3.37Å; V64-K68 PolarHBondContact O-N 3.3Å; V64-K68 VanDerWaalsContact O-N 3.16Å; V64-R189 HydrophobicContact CG2-CB 4.41Å; V64-R189 PolarHBondContact O-NH1 3.35Å; V64-R189 VanDerWaalsContact O-NH1 3.14Å; V64-D190 WeakPolarHBondContact CG2-O 3.38Å
65C96.1Very high94.1Very high0 Ų056.5 Ų56.50%031%0.307CS..Hα-helixtrans-77.7-39.3174.4-690000111.8F52 C61 T62 N63 K68 A69 C187 C192F52-C65 HydrophobicContact CE1-CB 4.03Å; F52-C65 HydrophobicContact CZ-CB 4.36Å; C61-C65 WeakPolarHBondContact O-CB 3.47Å; C61-C65 PolarHBondContact O-N 3.39Å; C61-C65 PolarHBondContact O-SG 2.91Å; T62-C65 PolarHBondContact O-N 3.36Å; N63-C65 VanDerWaalsContact C-N 3.3Å; N63-C65 PolarHBondContact O-N 3.4Å; C65-K68 PolarHBondContact O-N 3.16Å; C65-A69 WeakPolarHBondContact O-CB 3.32Å; C65-A69 PolarHBondContact O-N 3.1Å; C65-C187 WeakPolarHBondContact CA-SG 3.35Å; C65-C187 HydrophobicContact CB-CB 3.69Å; C65-C187 WeakPolarHBondContact CB-SG 3.49Å; C65-C187 WeakPolarHBondContact SG-CB 3.22Å; C65-C187 CovalentContact SG-SG 2.03Å; C65-C187 PolarHBondContact SG-SG 2.78Å; C65-C192 PolarHBondContact SG-SG 3.33Å
66Y95Very high93.9Very high27 Ų2758.6 Ų58.611%0.10631%0.306CS..Hα-helixtrans-59.7-51.4171.3175.4-95.4000110.8E48 Q49 F52 T62 N63 K68 A69 F70E48-Y66 HydrophobicContact CG-CE2 4.35Å; E48-Y66 VanDerWaalsContact CG-OH 3.29Å; E48-Y66 WeakPolarHBondContact CG-OH 3.49Å; E48-Y66 WeakPolarHBondContact O-CE2 3.39Å; E48-Y66 PolarHBondContact OE1-OH 3.15Å; Q49-Y66 HydrophobicContact CB-CD2 4.46Å; Q49-Y66 HydrophobicContact CB-CE1 4.24Å; Q49-Y66 HydrophobicContact CB-CE2 4.03Å; Q49-Y66 HydrophobicContact CG-CD1 4.06Å; Q49-Y66 HydrophobicContact CG-CD2 4.38Å; Q49-Y66 HydrophobicContact CG-CE1 4.04Å; Q49-Y66 HydrophobicContact CG-CE2 4.36Å; Q49-Y66 HydrophobicContact CG-CG 4.25Å; F52-Y66 HydrophobicContact CB-CD2 4Å; F52-Y66 HydrophobicContact CD1-CD2 4.15Å; F52-Y66 HydrophobicContact CD1-CG 4.42Å; F52-Y66 HydrophobicContact CD2-CD2 4.23Å; F52-Y66 AromaticContact CG-CD2 3.88Å; F52-Y66 HydrophobicContact CG-CD2 3.88Å; T62-Y66 WeakPolarHBondContact O-CB 3.33Å; T62-Y66 PolarHBondContact O-N 3.4Å; N63-Y66 PolarHBondContact O-N 2.92Å; Y66-K68 VanDerWaalsContact C-N 3.26Å; Y66-K68 PolarHBondContact O-N 2.94Å; Y66-A69 PolarHBondContact O-N 3.45Å; Y66-A69 VanDerWaalsContact O-N 3.1Å; Y66-F70 AromaticContact CD2-CD2 3.97Å; Y66-F70 HydrophobicContact CD2-CD2 3.97Å; Y66-F70 HydrophobicContact CE2-CB 4.46Å; Y66-F70 AromaticContact CE2-CD2 3.83Å; Y66-F70 HydrophobicContact CE2-CD2 3.83Å; Y66-F70 PolarHBondContact O-N 3.5Å
67D94.8Very high93.8Very high83 Ų8357.8 Ų57.844%0.44430%0.299SS..Hα-helixtrans-55.6-38175175.382.5000112.8N63 P71 R189N63-D67 WeakPolarHBondContact O-CB 3.44Å; N63-D67 PolarHBondContact O-N 3.22Å; D67-P71 WeakPolarHBondContact O-CA 3.4Å; D67-R189 IonicContact OD2-CZ 2.66Å; D67-R189 IonicContact OD2-NH1 3.35Å; D67-R189 PolarHBondContact OD2-NH1 3.46Å; D67-R189 IonicContact OD2-NH2 2.61Å; D67-R189 PolarHBondContact OD2-NH2 3.34Å
68K93.8Very high93.7Very high99 Ų9947.7 Ų47.743%0.4326%0.255SS..Hα-helixtrans-74.4-33.7177.6-158.2-171.8-174.8-1780113.2V64 C65 Y66 Y185 K188 R189V64-K68 WeakPolarHBondContact O-CB 3.37Å; V64-K68 PolarHBondContact O-N 3.3Å; V64-K68 VanDerWaalsContact O-N 3.16Å; C65-K68 PolarHBondContact O-N 3.16Å; Y66-K68 VanDerWaalsContact C-N 3.26Å; Y66-K68 PolarHBondContact O-N 2.94Å; K68-Y185 WeakPolarHBondContact CD-OH 3.41Å; K68-Y185 WeakPolarHBondContact CG-OH 3.4Å; K68-Y185 PolarHBondContact O-OH 3.42Å; K68-K188 PolarHBondContact NZ-O 3.4Å; K68-R189 HydrophobicContact CD-CB 4.38Å
69A92.6Very high93.5Very high16 Ų1646.8 Ų46.813%0.13225%0.254CS..Hα-helixtrans-77.9-38.3179.600000111.8F52 C65 Y66 Y185F52-A69 HydrophobicContact CE2-CB 4.35Å; F52-A69 HydrophobicContact CZ-CB 4.33Å; C65-A69 WeakPolarHBondContact O-CB 3.32Å; C65-A69 PolarHBondContact O-N 3.1Å; Y66-A69 PolarHBondContact O-N 3.45Å; Y66-A69 VanDerWaalsContact O-N 3.1Å; A69-Y185 HydrophobicContact CB-CD1 4Å; A69-Y185 HydrophobicContact CB-CD2 3.91Å; A69-Y185 HydrophobicContact CB-CE1 3.91Å; A69-Y185 HydrophobicContact CB-CE2 3.81Å; A69-Y185 HydrophobicContact CB-CG 4Å
70F93.3Very high93.4Very high21 Ų2145.2 Ų45.29%0.09224%0.24CC..  trans-132.670.5-174-55.7-63000111.1F52 Y66 I72 M181 I200F52-F70 HydrophobicContact CD2-CE2 4.19Å; F52-F70 HydrophobicContact CE2-CE2 4.08Å; Y66-F70 AromaticContact CD2-CD2 3.97Å; Y66-F70 HydrophobicContact CD2-CD2 3.97Å; Y66-F70 HydrophobicContact CE2-CB 4.46Å; Y66-F70 AromaticContact CE2-CD2 3.83Å; Y66-F70 HydrophobicContact CE2-CD2 3.83Å; Y66-F70 PolarHBondContact O-N 3.5Å; F70-I72 PolarHBondContact O-N 3.18Å; F70-I72 VanDerWaalsContact O-N 3.15Å; F70-M181 HydrophobicContact CE1-CE 3.92Å; F70-M181 HydrophobicContact CE1-SD 3.58Å; F70-M181 VanDerWaalsContact CE1-SD 3.58Å; F70-M181 HydrophobicContact CZ-CE 4.24Å; F70-M181 HydrophobicContact CZ-SD 3.88Å; F70-I200 HydrophobicContact CE2-CD1 4.26Å; F70-I200 HydrophobicContact CE2-CG1 4Å; F70-I200 HydrophobicContact CE2-CG2 4.46Å; F70-I200 HydrophobicContact CZ-CD1 3.72Å; F70-I200 HydrophobicContact CZ-CG1 3.88Å; F70-I200 HydrophobicContact CZ-CG2 4.07Å
71P92.4Very high93.3Very high92 Ų9243.9 Ų43.960%0.59722%0.224SC*.SBendtrans-61.5-24.5179.826.1-35.7000112.7D67D67-P71 WeakPolarHBondContact O-CA 3.4Å
72I93.3Very high93Very high46 Ų4645.8 Ų45.824%0.23623%0.233CC..SBendtrans-137.9144160.6-176.1172.9000107.2F70 R76 Y77 L80 Y177F70-I72 PolarHBondContact O-N 3.18Å; F70-I72 VanDerWaalsContact O-N 3.15Å; I72-R76 HydrophobicContact CD1-CB 4.07Å; I72-R76 HydrophobicContact CG1-CB 3.79Å; I72-Y77 HydrophobicContact CG2-CD2 4.26Å; I72-L80 HydrophobicContact CD1-CD1 3.77Å; I72-Y177 WeakPolarHBondContact CG2-OH 3.34Å; I72-Y177 PolarHBondContact O-OH 3.42Å
73S91.3Very high92.7Very high5 Ų548 Ų484%0.03524%0.242CC..  trans-82.8153.7175.560.10000112.4E48 I75 R76 Y77E48-S73 WeakPolarHBondContact OE1-CB 3.45Å; E48-S73 PolarHBondContact OE1-OG 2.61Å; E48-S73 WeakPolarHBondContact OE2-CB 3.41Å; S73-I75 VanDerWaalsContact C-N 3.31Å; S73-I75 PolarHBondContact O-N 3.34Å; S73-R76 PolarHBondContact O-N 2.88Å; S73-R76 VanDerWaalsContact O-N 3.09Å; S73-R76 WeakPolarHBondContact OG-CD 3.43Å; S73-R76 WeakPolarHBondContact OG-CG 3.37Å; S73-Y77 PolarHBondContact O-N 2.86Å
74H90.3Very high92.6Very high0 Ų047.5 Ų47.50%024%0.235CC..Hα-helixtrans-57.7-41.9-173.3-75.576.7000112.7W45 R76 Y77 W78 Q173 Y177 M181 I210W45-H74 HydrophobicContact CZ2-CB 3.85Å; H74-R76 PolarHBondContact O-N 3.33Å; H74-Y77 WeakPolarHBondContact O-CB 3.24Å; H74-Y77 PolarHBondContact O-N 3.36Å; H74-W78 HydrophobicContact CB-CH2 4.23Å; H74-W78 HydrophobicContact CB-CZ2 4.14Å; H74-W78 VanDerWaalsContact O-CG 3.25Å; H74-W78 PolarHBondContact O-N 3.31Å; H74-Q173 PolarHBondContact CD2-NE2 3.4Å; H74-Q173 PolarHBondContact NE2-NE2 3.31Å; H74-Y177 AromaticContact CE1-CD1 3.27Å; H74-Y177 WeakPolarHBondContact CE1-CD1 3.41Å; H74-Y177 AromaticContact CE1-CE1 3.6Å; H74-Y177 AromaticContact CE1-CG 3.53Å; H74-Y177 AromaticContact ND1-CE1 3.98Å; H74-Y177 WeakPolarHBondContact NE2-CB 3.44Å; H74-Y177 AromaticContact NE2-CD1 3.56Å; H74-Y177 AromaticContact NE2-CD2 3.63Å; H74-Y177 AromaticContact NE2-CG 3.27Å; H74-Y177 VanDerWaalsContact NE2-CG 3.27Å; H74-M181 VanDerWaalsContact CE1-CE 3.49Å; H74-M181 WeakPolarHBondContact CE1-CE 3.5Å; H74-I210 VanDerWaalsContact NE2-CD1 3.3Å; H74-I210 WeakPolarHBondContact NE2-CD1 3.26Å
75I89.4Confident92.4Very high26 Ų2646.5 Ų46.513%0.13323%0.23CC..Hα-helixtrans-61.5-46176.6-63.4-59.6000111.3W45 S73 Y77 W78 V79W45-I75 HydrophobicContact CB-CG1 3.74Å; W45-I75 HydrophobicContact CD2-CD1 3.95Å; W45-I75 HydrophobicContact CD2-CG1 3.66Å; W45-I75 HydrophobicContact CE3-CD1 3.45Å; W45-I75 VanDerWaalsContact CE3-CD1 3.45Å; W45-I75 HydrophobicContact CE3-CG1 3.67Å; W45-I75 HydrophobicContact CG-CG1 3.7Å; W45-I75 HydrophobicContact CZ3-CD1 3.85Å; W45-I75 HydrophobicContact CZ3-CG1 4.48Å; S73-I75 VanDerWaalsContact C-N 3.31Å; S73-I75 PolarHBondContact O-N 3.34Å; I75-Y77 VanDerWaalsContact C-N 3.3Å; I75-Y77 PolarHBondContact O-N 3.21Å; I75-W78 HydrophobicContact CD1-CE3 3.86Å; I75-W78 HydrophobicContact CD1-CZ3 3.94Å; I75-W78 PolarHBondContact O-N 3.43Å; I75-V79 HydrophobicContact CG2-CG2 4.5Å; I75-V79 WeakPolarHBondContact O-CG2 3.4Å; I75-V79 PolarHBondContact O-N 2.86Å
76R91.8Very high91.9Very high165 Ų16547.2 Ų47.262%0.62324%0.235SC*.Hα-helixtrans-62.7-39.8177.2-64.6177.4-173.2174.45.8111.2I72 S73 H74 V79 L80I72-R76 HydrophobicContact CD1-CB 4.07Å; I72-R76 HydrophobicContact CG1-CB 3.79Å; S73-R76 PolarHBondContact O-N 2.88Å; S73-R76 VanDerWaalsContact O-N 3.09Å; S73-R76 WeakPolarHBondContact OG-CD 3.43Å; S73-R76 WeakPolarHBondContact OG-CG 3.37Å; H74-R76 PolarHBondContact O-N 3.33Å; R76-V79 PolarHBondContact O-N 2.94Å; R76-L80 WeakPolarHBondContact O-CG 3.44Å; R76-L80 PolarHBondContact O-N 3.24Å
77Y93.4Very high91.6Very high20 Ų2049 Ų498%0.07825%0.248CC..Hα-helixtrans-61.3-45.6174.9-169.1-94.7000112.2I72 S73 H74 I75 L80 Q81 F169 G172 Q173 L176 Y177I72-Y77 HydrophobicContact CG2-CD2 4.26Å; S73-Y77 PolarHBondContact O-N 2.86Å; H74-Y77 WeakPolarHBondContact O-CB 3.24Å; H74-Y77 PolarHBondContact O-N 3.36Å; I75-Y77 VanDerWaalsContact C-N 3.3Å; I75-Y77 PolarHBondContact O-N 3.21Å; Y77-L80 PolarHBondContact O-N 3.3Å; Y77-Q81 PolarHBondContact O-N 3.42Å; Y77-F169 HydrophobicContact CD1-CD1 4.38Å; Y77-F169 HydrophobicContact CE1-CB 4.42Å; Y77-F169 AromaticContact CE1-CD1 3.72Å; Y77-F169 HydrophobicContact CE1-CD1 3.72Å; Y77-F169 HydrophobicContact CE2-CD1 4.11Å; Y77-F169 HydrophobicContact CE2-CE1 4.36Å; Y77-F169 AromaticContact CZ-CD1 3.56Å; Y77-F169 WeakPolarHBondContact OH-CA 3.35Å; Y77-F169 PolarHBondContact OH-O 2.97Å; Y77-G172 VanDerWaalsContact OH-C 3.27Å; Y77-G172 VanDerWaalsContact OH-CA 3.32Å; Y77-G172 WeakPolarHBondContact OH-CA 3.33Å; Y77-Q173 HydrophobicContact CE1-CB 3.87Å; Y77-Q173 PolarHBondContact OH-N 3.29Å; Y77-Q173 VanDerWaalsContact OH-N 3.1Å; Y77-L176 HydrophobicContact CD2-CD1 4.32Å; Y77-L176 HydrophobicContact CE2-CD1 3.88Å; Y77-Y177 HydrophobicContact CD1-CE2 4.47Å; Y77-Y177 HydrophobicContact CD2-CE2 4.38Å; Y77-Y177 HydrophobicContact CG-CE2 4.2Å
78W92.1Very high91.4Very high3 Ų345.4 Ų45.41%0.01123%0.229CC..Hα-helixtrans-71.5-31.4177.9-61.5-25.6000113.7L37 W45 H74 I75 Q81 F82 F209 I210 M213L37-W78 HydrophobicContact CD2-CB 3.72Å; W45-W78 AromaticContact CH2-CH2 3.44Å; W45-W78 HydrophobicContact CH2-CH2 3.44Å; W45-W78 VanDerWaalsContact CH2-CH2 3.44Å; W45-W78 AromaticContact CH2-CZ3 3.48Å; W45-W78 HydrophobicContact CH2-CZ3 3.48Å; W45-W78 VanDerWaalsContact CH2-CZ3 3.48Å; W45-W78 AromaticContact CZ2-CH2 3.8Å; W45-W78 HydrophobicContact CZ2-CH2 3.8Å; W45-W78 HydrophobicContact CZ2-CZ3 4.04Å; W45-W78 HydrophobicContact CZ3-CH2 4.28Å; W45-W78 AromaticContact CZ3-CZ3 3.85Å; W45-W78 HydrophobicContact CZ3-CZ3 3.85Å; H74-W78 HydrophobicContact CB-CH2 4.23Å; H74-W78 HydrophobicContact CB-CZ2 4.14Å; H74-W78 VanDerWaalsContact O-CG 3.25Å; H74-W78 PolarHBondContact O-N 3.31Å; I75-W78 HydrophobicContact CD1-CE3 3.86Å; I75-W78 HydrophobicContact CD1-CZ3 3.94Å; I75-W78 PolarHBondContact O-N 3.43Å; W78-Q81 PolarHBondContact O-N 3.16Å; W78-F82 VanDerWaalsContact O-CB 3.29Å; W78-F82 WeakPolarHBondContact O-CB 3.48Å; W78-F82 PolarHBondContact O-N 3.09Å; W78-F209 HydrophobicContact CH2-CB 4.21Å; W78-I210 HydrophobicContact CH2-CG1 4.05Å; W78-I210 HydrophobicContact CZ2-CB 4.43Å; W78-I210 HydrophobicContact CZ2-CG1 3.83Å; W78-M213 HydrophobicContact CB-CE 3.75Å; W78-M213 HydrophobicContact CD2-CB 4.5Å; W78-M213 HydrophobicContact CD2-CE 3.67Å; W78-M213 HydrophobicContact CD2-CG 4.1Å; W78-M213 HydrophobicContact CE3-CE 3.96Å; W78-M213 HydrophobicContact CE3-CG 4.11Å; W78-M213 HydrophobicContact CG-CE 3.55Å; W78-M213 HydrophobicContact CH2-CB 4.47Å; W78-M213 HydrophobicContact CH2-CG 4.04Å; W78-M213 HydrophobicContact CZ2-CB 4.02Å; W78-M213 HydrophobicContact CZ2-CG 4.03Å; W78-M213 HydrophobicContact CZ3-CG 4.08Å
79V91.3Very high90.9Very high59 Ų5942.9 Ų42.936%0.35822%0.223SC..Hα-helixtrans-62.1-45.5169.5169.50000110.1L37 I75 R76 F82 L83L37-V79 HydrophobicContact CD1-CG2 4.39Å; L37-V79 HydrophobicContact CD2-CG2 3.84Å; I75-V79 HydrophobicContact CG2-CG2 4.5Å; I75-V79 WeakPolarHBondContact O-CG2 3.4Å; I75-V79 PolarHBondContact O-N 2.86Å; R76-V79 PolarHBondContact O-N 2.94Å; V79-F82 PolarHBondContact O-N 2.8Å; V79-L83 HydrophobicContact CG1-CD1 3.97Å; V79-L83 HydrophobicContact CG1-CG 4.45Å; V79-L83 VanDerWaalsContact O-CG 3.28Å; V79-L83 WeakPolarHBondContact O-CG 3.33Å; V79-L83 PolarHBondContact O-N 2.93Å
80L92.9Very high90.6Very high70 Ų7047.5 Ų47.537%0.36624%0.244SC..Hα-helixtrans-61.8-47.1174.8-68.6172.1000111.4I72 R76 Y77 F82 L83 F84 F169I72-L80 HydrophobicContact CD1-CD1 3.77Å; R76-L80 WeakPolarHBondContact O-CG 3.44Å; R76-L80 PolarHBondContact O-N 3.24Å; Y77-L80 PolarHBondContact O-N 3.3Å; L80-F82 VanDerWaalsContact C-N 3.32Å; L80-F82 PolarHBondContact O-N 2.96Å; L80-L83 PolarHBondContact O-N 2.81Å; L80-F84 WeakPolarHBondContact O-CD2 3.42Å; L80-F84 PolarHBondContact O-N 3.42Å; L80-F169 HydrophobicContact CB-CE1 3.99Å; L80-F169 HydrophobicContact CB-CZ 4.12Å
81Q93Very high90.3Very high7 Ų751.9 Ų51.93%0.03327%0.268CS..Hα-helixtrans-54.4-48.5175.2-177.6174.320.100111.5Y77 W78 V85 E166 F169Y77-Q81 PolarHBondContact O-N 3.42Å; W78-Q81 PolarHBondContact O-N 3.16Å; Q81-V85 HydrophobicContact CG-CG2 4.4Å; Q81-V85 VanDerWaalsContact O-CB 3.3Å; Q81-V85 WeakPolarHBondContact O-CB 3.41Å; Q81-V85 VanDerWaalsContact O-CG2 3.24Å; Q81-V85 WeakPolarHBondContact O-CG2 3.49Å; Q81-V85 PolarHBondContact O-N 3.06Å; Q81-E166 PolarHBondContact NE2-OE1 2.87Å; Q81-F169 HydrophobicContact CB-CB 4.04Å; Q81-F169 HydrophobicContact CB-CD1 3.58Å; Q81-F169 HydrophobicContact CB-CD2 4.16Å; Q81-F169 HydrophobicContact CB-CE1 4.05Å; Q81-F169 HydrophobicContact CB-CG 3.66Å; Q81-F169 HydrophobicContact CG-CB 3.57Å; Q81-F169 HydrophobicContact CG-CD1 4.12Å; Q81-F169 HydrophobicContact CG-CD2 4.12Å; Q81-F169 HydrophobicContact CG-CG 3.68Å
82F89.2Confident89.9Confident40 Ų4048.4 Ų48.418%0.17524%0.243CC..Hα-helixtrans-59.3-47.6177.4172.9-94.5000111.9F30 R33 I34 L37 W78 V79 L80 S86F30-F82 AromaticContact CD2-CE2 3.78Å; F30-F82 HydrophobicContact CD2-CE2 3.78Å; F30-F82 HydrophobicContact CE1-CE2 4.47Å; F30-F82 HydrophobicContact CE2-CD2 4.29Å; F30-F82 AromaticContact CE2-CE2 3.29Å; F30-F82 HydrophobicContact CE2-CE2 3.29Å; F30-F82 AromaticContact CE2-CZ 3.62Å; F30-F82 HydrophobicContact CE2-CZ 3.62Å; F30-F82 AromaticContact CZ-CE2 3.69Å; F30-F82 HydrophobicContact CZ-CE2 3.69Å; F30-F82 AromaticContact CZ-CZ 3.64Å; F30-F82 HydrophobicContact CZ-CZ 3.64Å; R33-F82 HydrophobicContact CB-CD2 4.36Å; I34-F82 HydrophobicContact CD1-CE2 4.03Å; I34-F82 HydrophobicContact CD1-CZ 3.98Å; I34-F82 HydrophobicContact CG1-CE2 3.62Å; I34-F82 HydrophobicContact CG1-CZ 3.84Å; L37-F82 HydrophobicContact CD1-CB 3.96Å; L37-F82 HydrophobicContact CD1-CD2 4.47Å; L37-F82 HydrophobicContact CD1-CG 4.11Å; W78-F82 VanDerWaalsContact O-CB 3.29Å; W78-F82 WeakPolarHBondContact O-CB 3.48Å; W78-F82 PolarHBondContact O-N 3.09Å; V79-F82 PolarHBondContact O-N 2.8Å; L80-F82 VanDerWaalsContact C-N 3.32Å; L80-F82 PolarHBondContact O-N 2.96Å; F82-S86 WeakPolarHBondContact O-CB 3.35Å; F82-S86 PolarHBondContact O-N 3.13Å; F82-S86 PolarHBondContact O-OG 3.18Å
83L90.3Very high89.3Confident89 Ų8948 Ų4847%0.46624%0.24SC..Hα-helixtrans-60.4-54.1179.1-71.4169.7000111.2V79 L80 V85 S86 T87V79-L83 HydrophobicContact CG1-CD1 3.97Å; V79-L83 HydrophobicContact CG1-CG 4.45Å; V79-L83 VanDerWaalsContact O-CG 3.28Å; V79-L83 WeakPolarHBondContact O-CG 3.33Å; V79-L83 PolarHBondContact O-N 2.93Å; L80-L83 PolarHBondContact O-N 2.81Å; L83-V85 PolarHBondContact O-N 3.3Å; L83-S86 PolarHBondContact O-N 3.48Å; L83-T87 PolarHBondContact O-N 2.94Å; L83-T87 PolarHBondContact O-OG1 3.12Å
84F93.3Very high88.9Confident93 Ų9349.6 Ų49.641%0.40826%0.258SS..Hα-helixtrans-63.5-38.7-178.4-84.2-80000113.2L80 S86 P88 F165 F169L80-F84 WeakPolarHBondContact O-CD2 3.42Å; L80-F84 PolarHBondContact O-N 3.42Å; F84-S86 VanDerWaalsContact C-N 3.35Å; F84-P88 WeakPolarHBondContact O-CD 3.49Å; F84-F165 HydrophobicContact CB-CB 4.46Å; F84-F165 HydrophobicContact CB-CD1 4.46Å; F84-F165 HydrophobicContact CB-CD2 4.37Å; F84-F165 HydrophobicContact CB-CG 4.21Å; F84-F165 HydrophobicContact CD1-CD1 4.32Å; F84-F165 AromaticContact CD1-CE1 4Å; F84-F165 HydrophobicContact CD1-CE1 4Å; F84-F165 HydrophobicContact CD1-CE2 4.44Å; F84-F165 HydrophobicContact CD1-CZ 4.07Å; F84-F165 VanDerWaalsContact O-CD2 3.25Å; F84-F165 WeakPolarHBondContact O-CD2 3.39Å; F84-F169 HydrophobicContact CB-CE2 3.67Å; F84-F169 HydrophobicContact CB-CZ 4.26Å; F84-F169 AromaticContact CD2-CE2 3.96Å; F84-F169 HydrophobicContact CD2-CE2 3.96Å; F84-F169 AromaticContact CD2-CZ 3.72Å; F84-F169 HydrophobicContact CD2-CZ 3.72Å; F84-F169 HydrophobicContact CE2-CZ 4.45Å; F84-F169 AromaticContact CG-CE2 3.99Å; F84-F169 HydrophobicContact CG-CE2 3.99Å; F84-F169 HydrophobicContact CG-CZ 4.23Å
85V90.1Very high88.6Confident16 Ų1652.1 Ų52.110%0.09727%0.27CS..Hα-helixtrans-72.1-29.6176.41740000111.8Q81 L83 F165 E166Q81-V85 HydrophobicContact CG-CG2 4.4Å; Q81-V85 VanDerWaalsContact O-CB 3.3Å; Q81-V85 WeakPolarHBondContact O-CB 3.41Å; Q81-V85 VanDerWaalsContact O-CG2 3.24Å; Q81-V85 WeakPolarHBondContact O-CG2 3.49Å; Q81-V85 PolarHBondContact O-N 3.06Å; L83-V85 PolarHBondContact O-N 3.3Å; V85-F165 HydrophobicContact CG2-CB 4.11Å; V85-E166 HydrophobicContact CG2-CB 4.27Å
86S86.7Confident88.1Confident15 Ų1551.9 Ų51.911%0.10527%0.27CS..Hα-helixtrans-76.7-35.2177-59.50000113.1F82 L83 F84 T89 L90F82-S86 WeakPolarHBondContact O-CB 3.35Å; F82-S86 PolarHBondContact O-N 3.13Å; F82-S86 PolarHBondContact O-OG 3.18Å; L83-S86 PolarHBondContact O-N 3.48Å; F84-S86 VanDerWaalsContact C-N 3.35Å; S86-T89 WeakPolarHBondContact O-CA 3.27Å; S86-T89 VanDerWaalsContact O-CB 3.26Å; S86-T89 WeakPolarHBondContact O-CB 3.49Å; S86-T89 PolarHBondContact O-N 3.26Å; S86-T89 PolarHBondContact O-OG1 3.42Å; S86-L90 PolarHBondContact O-N 3.17Å; S86-L90 VanDerWaalsContact O-N 3.12Å
87T88.9Confident87.6Confident63 Ų6345.5 Ų45.539%0.38725%0.249SC..Hα-helixtrans-53.3-46.6-174.8-65.70000114.2L83 T89 L90 I91L83-T87 PolarHBondContact O-N 2.94Å; L83-T87 PolarHBondContact O-OG1 3.12Å; T87-T89 VanDerWaalsContact C-N 3.27Å; T87-T89 PolarHBondContact O-N 3.18Å; T87-L90 PolarHBondContact O-N 2.85Å; T87-L90 VanDerWaalsContact O-N 3.13Å; T87-I91 HydrophobicContact CG2-CD1 3.69Å; T87-I91 HydrophobicContact CG2-CG1 4.27Å; T87-I91 WeakPolarHBondContact O-CG1 3.34Å; T87-I91 PolarHBondContact O-N 3.12Å
88P90.4Very high87.1Confident8 Ų851 Ų515%0.05227%0.27CS..Hα-helixtrans-61-32.4175.7-23.632.3000113.9F84 Y92 S158 C161 K162 F165F84-P88 WeakPolarHBondContact O-CD 3.49Å; P88-Y92 WeakPolarHBondContact O-CB 3.39Å; P88-Y92 PolarHBondContact O-N 2.85Å; P88-S158 WeakPolarHBondContact CB-O 3.5Å; P88-C161 HydrophobicContact CB-CB 4.2Å; P88-C161 HydrophobicContact CG-CB 3.84Å; P88-K162 HydrophobicContact CB-CG 4.04Å; P88-K162 HydrophobicContact CG-CG 4.16Å; P88-F165 HydrophobicContact CG-CD2 4.11Å; P88-F165 HydrophobicContact CG-CE2 4.05Å
89T83.8Confident86.5Confident47 Ų4753.1 Ų53.129%0.28828%0.282SS..Hα-helixtrans-63.6-50172.4-44.10000110.2S86 T87 I91 Y92 L93 K162S86-T89 WeakPolarHBondContact O-CA 3.27Å; S86-T89 VanDerWaalsContact O-CB 3.26Å; S86-T89 WeakPolarHBondContact O-CB 3.49Å; S86-T89 PolarHBondContact O-N 3.26Å; S86-T89 PolarHBondContact O-OG1 3.42Å; T87-T89 VanDerWaalsContact C-N 3.27Å; T87-T89 PolarHBondContact O-N 3.18Å; T89-I91 VanDerWaalsContact C-N 3.33Å; T89-I91 PolarHBondContact O-N 3.27Å; T89-Y92 PolarHBondContact O-N 3.03Å; T89-L93 HydrophobicContact CG2-CD1 4.15Å; T89-L93 HydrophobicContact CG2-CG 4.32Å; T89-L93 VanDerWaalsContact O-CG 3.32Å; T89-L93 WeakPolarHBondContact O-CG 3.28Å; T89-L93 PolarHBondContact O-N 3.06Å; T89-K162 WeakPolarHBondContact OG1-CE 3.42Å; T89-K162 PolarHBondContact OG1-NZ 2.99Å
90L84.8Confident85.8Confident112 Ų11251.7 Ų51.759%0.58627%0.274SS*.Hα-helixtrans-63.7-38-177.8-63.3176.3000112.1S86 T87 G94S86-L90 PolarHBondContact O-N 3.17Å; S86-L90 VanDerWaalsContact O-N 3.12Å; T87-L90 PolarHBondContact O-N 2.85Å; T87-L90 VanDerWaalsContact O-N 3.13Å; L90-G94 PolarHBondContact O-N 3.44Å
91I88.3Confident85.3Confident114 Ų11455.1 Ų55.159%0.58528%0.282SS*.Hα-helixtrans-63.8-45173.8-67.8169.5000110.7T87 T89 G94 H95T87-I91 HydrophobicContact CG2-CD1 3.69Å; T87-I91 HydrophobicContact CG2-CG1 4.27Å; T87-I91 WeakPolarHBondContact O-CG1 3.34Å; T87-I91 PolarHBondContact O-N 3.12Å; T89-I91 VanDerWaalsContact C-N 3.33Å; T89-I91 PolarHBondContact O-N 3.27Å; I91-G94 PolarHBondContact O-N 3.39Å; I91-H95 WeakPolarHBondContact O-CB 3.39Å; I91-H95 PolarHBondContact O-N 3.42Å
92Y83.3Confident84.8Confident19 Ų1958.2 Ų58.28%0.07530%0.297CS..Hα-helixtrans-63.8-45.9177173.6-100.2000112.2V14 P88 T89 G94 H95 V96 L151 Y155V14-Y92 HydrophobicContact CB-CE1 4.36Å; V14-Y92 HydrophobicContact CG1-CD1 4.28Å; V14-Y92 HydrophobicContact CG1-CE1 3.69Å; V14-Y92 HydrophobicContact CG2-CE1 3.9Å; P88-Y92 WeakPolarHBondContact O-CB 3.39Å; P88-Y92 PolarHBondContact O-N 2.85Å; T89-Y92 PolarHBondContact O-N 3.03Å; Y92-G94 PolarHBondContact O-N 3.37Å; Y92-H95 WeakPolarHBondContact O-CB 3.41Å; Y92-H95 PolarHBondContact O-N 3.27Å; Y92-V96 HydrophobicContact CD1-CG2 4.39Å; Y92-V96 HydrophobicContact CE1-CG2 3.87Å; Y92-V96 HydrophobicContact CE2-CG2 4.16Å; Y92-V96 WeakPolarHBondContact O-CG2 3.37Å; Y92-V96 PolarHBondContact O-N 3.07Å; Y92-L151 HydrophobicContact CE2-CD1 3.65Å; Y92-L151 HydrophobicContact CE2-CG 4.07Å; Y92-Y155 HydrophobicContact CD1-CD2 4.1Å; Y92-Y155 HydrophobicContact CD2-CD2 4.05Å; Y92-Y155 AromaticContact CE1-CD2 3.78Å; Y92-Y155 HydrophobicContact CE1-CD2 3.78Å; Y92-Y155 HydrophobicContact CE1-CE2 4.22Å; Y92-Y155 AromaticContact CE2-CD2 3.73Å; Y92-Y155 HydrophobicContact CE2-CD2 3.73Å; Y92-Y155 HydrophobicContact CE2-CG 4.17Å; Y92-Y155 HydrophobicContact CG-CD2 4.22Å; Y92-Y155 AromaticContact CZ-CD2 3.58Å
93L80.6Confident84.3Confident36 Ų3658.2 Ų58.219%0.18830%0.297CS..Hα-helixtrans-60-44.4174.7-68.1179.5000111.5V14 T89 H95 V96 V97V14-L93 HydrophobicContact CB-CD2 4.08Å; V14-L93 HydrophobicContact CG1-CD2 3.88Å; V14-L93 HydrophobicContact CG2-CD2 3.67Å; T89-L93 HydrophobicContact CG2-CD1 4.15Å; T89-L93 HydrophobicContact CG2-CG 4.32Å; T89-L93 VanDerWaalsContact O-CG 3.32Å; T89-L93 WeakPolarHBondContact O-CG 3.28Å; T89-L93 PolarHBondContact O-N 3.06Å; L93-H95 VanDerWaalsContact C-N 3.29Å; L93-H95 PolarHBondContact O-N 3.04Å; L93-V96 WeakPolarHBondContact O-CB 3.33Å; L93-V96 PolarHBondContact O-N 3.03Å; L93-V97 WeakPolarHBondContact O-CG2 3.48Å; L93-V97 PolarHBondContact O-N 3.47Å
94G83.9Confident84Confident40 Ų4059 Ų5941%0.41230%0.299SS..Hα-helixtrans-60.5-37.6175.100000112.9L90 I91 Y92 Y98L90-G94 PolarHBondContact O-N 3.44Å; I91-G94 PolarHBondContact O-N 3.39Å; Y92-G94 PolarHBondContact O-N 3.37Å; G94-Y98 VanDerWaalsContact O-CB 3.24Å; G94-Y98 WeakPolarHBondContact O-CB 3.25Å; G94-Y98 PolarHBondContact O-N 2.98Å
95H82.6Confident83.6Confident53 Ų5361.7 Ų61.725%0.24531%0.31CS..Hα-helixtrans-67.7-41.5174.3-177-117.5000112.4I91 Y92 L93 Y98 L99 T154I91-H95 WeakPolarHBondContact O-CB 3.39Å; I91-H95 PolarHBondContact O-N 3.42Å; Y92-H95 WeakPolarHBondContact O-CB 3.41Å; Y92-H95 PolarHBondContact O-N 3.27Å; L93-H95 VanDerWaalsContact C-N 3.29Å; L93-H95 PolarHBondContact O-N 3.04Å; H95-Y98 PolarHBondContact O-N 2.94Å; H95-L99 WeakPolarHBondContact O-CG 3.4Å; H95-L99 PolarHBondContact O-N 3.37Å; H95-T154 PolarHBondContact ND1-OG1 2.91Å; H95-T154 VanDerWaalsContact ND1-OG1 3.16Å
96V80.3Confident83.3Confident21 Ų2161.7 Ų61.713%0.12731%0.31CS..Hα-helixtrans-59-50.9172.4173.10000110.9L10 V14 Y92 L93 Y98 L99 S100 L151L10-V96 HydrophobicContact CD2-CG1 4.12Å; V14-V96 HydrophobicContact CG2-CG1 4.27Å; V14-V96 HydrophobicContact CG2-CG2 4.05Å; Y92-V96 HydrophobicContact CD1-CG2 4.39Å; Y92-V96 HydrophobicContact CE1-CG2 3.87Å; Y92-V96 HydrophobicContact CE2-CG2 4.16Å; Y92-V96 WeakPolarHBondContact O-CG2 3.37Å; Y92-V96 PolarHBondContact O-N 3.07Å; L93-V96 WeakPolarHBondContact O-CB 3.33Å; L93-V96 PolarHBondContact O-N 3.03Å; V96-Y98 VanDerWaalsContact C-N 3.31Å; V96-Y98 PolarHBondContact O-N 3.39Å; V96-L99 PolarHBondContact O-N 3.33Å; V96-S100 WeakPolarHBondContact O-CB 3.44Å; V96-S100 PolarHBondContact O-N 2.88Å; V96-L151 HydrophobicContact CG2-CD1 3.68Å
97V80.3Confident83.2Confident30 Ų3065 Ų6518%0.18232%0.322CS..Hα-helixtrans-60-41.1178.3171.90000111.6L10 L93 R101L10-V97 HydrophobicContact CD1-CG2 3.54Å; L93-V97 WeakPolarHBondContact O-CG2 3.48Å; L93-V97 PolarHBondContact O-N 3.47Å; V97-R101 WeakPolarHBondContact O-CB 3.2Å; V97-R101 WeakPolarHBondContact O-CG 3.16Å; V97-R101 PolarHBondContact O-N 3.05Å
98Y83.4Confident83.1Confident136 Ų13667.4 Ų67.453%0.53333%0.329SS..Hα-helixtrans-63.2-45177.4174.6-95000112.1G94 H95 V96 Q102G94-Y98 VanDerWaalsContact O-CB 3.24Å; G94-Y98 WeakPolarHBondContact O-CB 3.25Å; G94-Y98 PolarHBondContact O-N 2.98Å; H95-Y98 PolarHBondContact O-N 2.94Å; V96-Y98 VanDerWaalsContact C-N 3.31Å; V96-Y98 PolarHBondContact O-N 3.39Å; Y98-Q102 HydrophobicContact CE1-CG 4.08Å; Y98-Q102 WeakPolarHBondContact O-CG 3.5Å; Y98-Q102 PolarHBondContact O-N 3.05Å; Y98-Q102 PolarHBondContact OH-NE2 2.96Å; Y98-Q102 VanDerWaalsContact OH-NE2 3.09Å
99L79.1Confident82.8Confident47 Ų4770.9 Ų70.925%0.24634%0.344CS..Hα-helixtrans-66.7-45.1177.5-71.2176.9000112H95 V96 R101 Q102 E103 L151H95-L99 WeakPolarHBondContact O-CG 3.4Å; H95-L99 PolarHBondContact O-N 3.37Å; V96-L99 PolarHBondContact O-N 3.33Å; L99-R101 PolarHBondContact O-N 3.1Å; L99-Q102 WeakPolarHBondContact O-CB 3.47Å; L99-Q102 PolarHBondContact O-N 2.76Å; L99-Q102 VanDerWaalsContact O-N 3.1Å; L99-E103 PolarHBondContact O-N 2.87Å; L99-L151 HydrophobicContact CD1-CD1 4.35Å
100S77.7Confident82.9Confident29 Ų2970.3 Ų70.320%0.20334%0.338CS..Hα-helixtrans-56.2-47.1175.7159.80000111.7V96 Q102 E103 E104V96-S100 WeakPolarHBondContact O-CB 3.44Å; V96-S100 PolarHBondContact O-N 2.88Å; S100-Q102 VanDerWaalsContact C-N 3.33Å; S100-Q102 PolarHBondContact O-N 3.42Å; S100-E103 WeakPolarHBondContact O-CB 3.46Å; S100-E103 PolarHBondContact O-N 3.36Å; S100-E104 WeakPolarHBondContact O-CG 3.26Å; S100-E104 PolarHBondContact O-N 3.34Å
101R82.1Confident82.8Confident142 Ų14268 Ų6854%0.53633%0.332SS..Hα-helixtrans-68-27.2176.1-71.7176.3178174.11114.1V97 L99 K105V97-R101 WeakPolarHBondContact O-CB 3.2Å; V97-R101 WeakPolarHBondContact O-CG 3.16Å; V97-R101 PolarHBondContact O-N 3.05Å; L99-R101 PolarHBondContact O-N 3.1Å; R101-K105 VanDerWaalsContact O-CG 3.3Å; R101-K105 WeakPolarHBondContact O-CG 3.26Å; R101-K105 PolarHBondContact O-N 2.96Å
102Q81.1Confident82.8Confident73 Ų7366.9 Ų66.934%0.34132%0.324SS..Hα-helixtrans-70-42.4171.1-78.2-117.8-27.200110.8Y98 L99 S100 K105 L106Y98-Q102 HydrophobicContact CE1-CG 4.08Å; Y98-Q102 WeakPolarHBondContact O-CG 3.5Å; Y98-Q102 PolarHBondContact O-N 3.05Å; Y98-Q102 PolarHBondContact OH-NE2 2.96Å; Y98-Q102 VanDerWaalsContact OH-NE2 3.09Å; L99-Q102 WeakPolarHBondContact O-CB 3.47Å; L99-Q102 PolarHBondContact O-N 2.76Å; L99-Q102 VanDerWaalsContact O-N 3.1Å; S100-Q102 VanDerWaalsContact C-N 3.33Å; S100-Q102 PolarHBondContact O-N 3.42Å; Q102-K105 PolarHBondContact O-N 3.32Å; Q102-L106 WeakPolarHBondContact O-CG 3.38Å; Q102-L106 PolarHBondContact O-N 3.39Å
103E79.8Confident82.8Confident39 Ų3967.1 Ų67.118%0.18233%0.326CS..Hα-helixtrans-62.3-47.7178-168.5-170.4131.600111.7L99 S100 K105 L106 K107 M134 I137 Y138L99-E103 PolarHBondContact O-N 2.87Å; S100-E103 WeakPolarHBondContact O-CB 3.46Å; S100-E103 PolarHBondContact O-N 3.36Å; E103-K105 PolarHBondContact O-N 2.95Å; E103-L106 PolarHBondContact O-N 2.93Å; E103-K107 WeakPolarHBondContact O-CG 3.47Å; E103-K107 PolarHBondContact O-N 3.49Å; E103-K107 WeakPolarHBondContact OE1-CE 3.33Å; E103-K107 IonicContact OE1-NZ 3.14Å; E103-K107 PolarHBondContact OE1-NZ 3.25Å; E103-M134 HydrophobicContact CG-CE 4.12Å; E103-I137 HydrophobicContact CB-CG2 4.4Å; E103-Y138 HydrophobicContact CG-CD2 4.04Å; E103-Y138 HydrophobicContact CG-CG 4.5Å; E103-Y138 VanDerWaalsContact OE1-CD2 3.25Å; E103-Y138 WeakPolarHBondContact OE1-CD2 3.35Å; E103-Y138 WeakPolarHBondContact OE1-CE2 3.45Å; E103-Y138 WeakPolarHBondContact OE2-CD2 3.28Å
104E83.1Confident82.8Confident106 Ų10672.7 Ų72.750%0.49535%0.345SS..Hα-helixtrans-56.4-46.7175.8-72.3173.3164.800112.3S100 L106 K107 Q108S100-E104 WeakPolarHBondContact O-CG 3.26Å; S100-E104 PolarHBondContact O-N 3.34Å; E104-L106 VanDerWaalsContact C-N 3.32Å; E104-L106 PolarHBondContact O-N 3.33Å; E104-K107 PolarHBondContact O-N 3.23Å; E104-Q108 PolarHBondContact O-N 3.48Å
105K85.8Confident82.8Confident150 Ų15075 Ų7565%0.65236%0.361SS*.Hα-helixtrans-63.2-37.4177.9-75.3178.9180-169.80112.8R101 Q102 E103 Q109R101-K105 VanDerWaalsContact O-CG 3.3Å; R101-K105 WeakPolarHBondContact O-CG 3.26Å; R101-K105 PolarHBondContact O-N 2.96Å; Q102-K105 PolarHBondContact O-N 3.32Å; E103-K105 PolarHBondContact O-N 2.95Å; K105-Q109 WeakPolarHBondContact O-CB 2.91Å; K105-Q109 PolarHBondContact O-N 3.26Å
106L83.8Confident82.7Confident15 Ų1577.3 Ų77.38%0.07937%0.374CS..Hα-helixtrans-72-39.8177.4-69.6167.9000111.6Q102 E103 E104 Q108 Q109 E110 V130 K133 M134 I137Q102-L106 WeakPolarHBondContact O-CG 3.38Å; Q102-L106 PolarHBondContact O-N 3.39Å; E103-L106 PolarHBondContact O-N 2.93Å; E104-L106 VanDerWaalsContact C-N 3.32Å; E104-L106 PolarHBondContact O-N 3.33Å; L106-Q108 VanDerWaalsContact C-N 3.34Å; L106-Q108 PolarHBondContact O-N 3.4Å; L106-Q109 PolarHBondContact O-N 3.46Å; L106-E110 WeakPolarHBondContact O-CB 3.47Å; L106-E110 PolarHBondContact O-N 3.05Å; L106-V130 HydrophobicContact CD2-CG1 4.42Å; L106-K133 HydrophobicContact CD1-CB 4.42Å; L106-K133 HydrophobicContact CD2-CB 4.22Å; L106-K133 HydrophobicContact CD2-CD 4.47Å; L106-M134 HydrophobicContact CB-CE 4.24Å; L106-M134 HydrophobicContact CB-CG 3.57Å; L106-M134 HydrophobicContact CB-SD 3.86Å; L106-M134 HydrophobicContact CD1-CG 4.15Å; L106-M134 HydrophobicContact CG-CG 4.36Å; L106-I137 HydrophobicContact CD1-CD1 3.53Å
107K83.6Confident81.8Confident85 Ų8582.4 Ų82.437%0.3740%0.395SS..Hα-helixtrans-60.7-42.6172.2-72-179.9-177.3169.70111.8E103 E104 E110 S111 M134E103-K107 WeakPolarHBondContact O-CG 3.47Å; E103-K107 PolarHBondContact O-N 3.49Å; E103-K107 WeakPolarHBondContact OE1-CE 3.33Å; E103-K107 IonicContact OE1-NZ 3.14Å; E103-K107 PolarHBondContact OE1-NZ 3.25Å; E104-K107 PolarHBondContact O-N 3.23Å; K107-E110 PolarHBondContact O-N 3.38Å; K107-S111 PolarHBondContact O-N 3.31Å; K107-S111 PolarHBondContact O-OG 3.14Å; K107-M134 HydrophobicContact CD-CE 4.46Å; K107-M134 HydrophobicContact CG-CE 3.53Å; K107-M134 HydrophobicContact CG-SD 4.1Å
108Q87.1Confident80.8Confident113 Ų11384.7 Ų84.753%0.52841%0.413SS..Hα-helixtrans-62.6-50.8175.2-174.5179.3-16.900110.8E104 L106 E110 S111 E112E104-Q108 PolarHBondContact O-N 3.48Å; L106-Q108 VanDerWaalsContact C-N 3.34Å; L106-Q108 PolarHBondContact O-N 3.4Å; Q108-E110 VanDerWaalsContact C-N 3.28Å; Q108-E110 PolarHBondContact O-N 3Å; Q108-S111 PolarHBondContact O-N 3.46Å; Q108-S111 VanDerWaalsContact O-N 3.1Å; Q108-S111 PolarHBondContact O-OG 3.2Å; Q108-E112 WeakPolarHBondContact CG-OE1 3.17Å; Q108-E112 PolarHBondContact NE2-OE1 3.01Å; Q108-E112 WeakPolarHBondContact O-CG 3.06Å; Q108-E112 PolarHBondContact O-N 3.27Å
109Q85.6Confident79.7Confident81 Ų8187.7 Ų87.738%0.37943%0.429SS..Hα-helixtrans-56.8-41176.6-176.8174.315.500112.2K105 L106 E112 L113 V130K105-Q109 WeakPolarHBondContact O-CB 2.91Å; K105-Q109 PolarHBondContact O-N 3.26Å; L106-Q109 PolarHBondContact O-N 3.46Å; Q109-E112 PolarHBondContact O-N 2.74Å; Q109-L113 HydrophobicContact CG-CD1 3.91Å; Q109-L113 WeakPolarHBondContact O-CD1 3.26Å; Q109-L113 PolarHBondContact O-N 2.86Å; Q109-V130 HydrophobicContact CG-CG1 4.48Å; Q109-V130 HydrophobicContact CG-CG2 3.9Å
110E84.6Confident79.5Confident35 Ų3589.7 Ų89.716%0.16444%0.44CS..Hα-helixtrans-62.3-44.9175.8-166.5-164.716100111.7L106 K107 Q108 E112 L113 R114 V130L106-E110 WeakPolarHBondContact O-CB 3.47Å; L106-E110 PolarHBondContact O-N 3.05Å; K107-E110 PolarHBondContact O-N 3.38Å; Q108-E110 VanDerWaalsContact C-N 3.28Å; Q108-E110 PolarHBondContact O-N 3Å; E110-E112 PolarHBondContact O-N 3.17Å; E110-L113 PolarHBondContact O-N 3.18Å; E110-R114 WeakPolarHBondContact O-CB 3.19Å; E110-R114 VanDerWaalsContact O-CG 3.29Å; E110-R114 WeakPolarHBondContact O-CG 3.22Å; E110-R114 PolarHBondContact O-N 3.43Å; E110-R114 IonicContact OE1-CZ 3.33Å; E110-R114 IonicContact OE1-NE 2.82Å; E110-R114 PolarHBondContact OE1-NE 3.29Å; E110-R114 IonicContact OE1-NH2 2.74Å; E110-R114 PolarHBondContact OE1-NH2 3.09Å; E110-V130 HydrophobicContact CB-CG1 4.09Å
111S83.6Confident79.6Confident64 Ų6492.6 Ų92.645%0.44846%0.458SS..Hα-helixtrans-63.1-39.6177.471.90000112.8K107 Q108 R114 A115K107-S111 PolarHBondContact O-N 3.31Å; K107-S111 PolarHBondContact O-OG 3.14Å; Q108-S111 PolarHBondContact O-N 3.46Å; Q108-S111 VanDerWaalsContact O-N 3.1Å; Q108-S111 PolarHBondContact O-OG 3.2Å; S111-R114 PolarHBondContact O-N 2.9Å; S111-A115 WeakPolarHBondContact O-CB 3.28Å; S111-A115 PolarHBondContact O-N 2.93Å
112E87Confident79.4Confident90 Ų9093.8 Ų93.842%0.42147%0.467SS..Hα-helixtrans-64.4-46.1174.4-70.9170.5-17000111.3Q108 Q109 E110 R114 A115 I116Q108-E112 WeakPolarHBondContact CG-OE1 3.17Å; Q108-E112 PolarHBondContact NE2-OE1 3.01Å; Q108-E112 WeakPolarHBondContact O-CG 3.06Å; Q108-E112 PolarHBondContact O-N 3.27Å; Q109-E112 PolarHBondContact O-N 2.74Å; E110-E112 PolarHBondContact O-N 3.17Å; E112-R114 PolarHBondContact O-N 3.31Å; E112-A115 PolarHBondContact O-N 3.3Å; E112-I116 WeakPolarHBondContact O-CD1 3.15Å; E112-I116 VanDerWaalsContact O-CG1 3.28Å; E112-I116 WeakPolarHBondContact O-CG1 3.27Å; E112-I116 PolarHBondContact O-N 3.46Å
113L84.3Confident79.4Confident24 Ų2491.9 Ų91.913%0.12646%0.459CS..Hα-helixtrans-65.6-35.7176.4-9172.1000112.7Q109 E110 A115 I123 A126 L127 V130Q109-L113 HydrophobicContact CG-CD1 3.91Å; Q109-L113 WeakPolarHBondContact O-CD1 3.26Å; Q109-L113 PolarHBondContact O-N 2.86Å; E110-L113 PolarHBondContact O-N 3.18Å; L113-A115 VanDerWaalsContact C-N 3.34Å; L113-I123 HydrophobicContact CB-CG2 4.48Å; L113-I123 HydrophobicContact CG-CG2 4.4Å; L113-A126 HydrophobicContact CD2-CB 3.65Å; L113-L127 HydrophobicContact CB-CD1 4.3Å; L113-L127 HydrophobicContact CD2-CB 4.07Å; L113-V130 HydrophobicContact CD2-CG2 4.36Å
114R80.6Confident79.4Confident154 Ų15496.2 Ų96.258%0.58148%0.479SS*.Hα-helixtrans-65.7-35.5173.4-74.5175.5-179.4-106.56.4111.8E110 S111 E112 H117 L127E110-R114 WeakPolarHBondContact O-CB 3.19Å; E110-R114 VanDerWaalsContact O-CG 3.29Å; E110-R114 WeakPolarHBondContact O-CG 3.22Å; E110-R114 PolarHBondContact O-N 3.43Å; E110-R114 IonicContact OE1-CZ 3.33Å; E110-R114 IonicContact OE1-NE 2.82Å; E110-R114 PolarHBondContact OE1-NE 3.29Å; E110-R114 IonicContact OE1-NH2 2.74Å; E110-R114 PolarHBondContact OE1-NH2 3.09Å; S111-R114 PolarHBondContact O-N 2.9Å; E112-R114 PolarHBondContact O-N 3.31Å; R114-H117 WeakPolarHBondContact O-CB 3.41Å; R114-H117 PolarHBondContact O-N 2.93Å; R114-L127 HydrophobicContact CG-CD1 3.83Å
115A83.3Confident79.3Confident89 Ų8998.1 Ų98.174%0.73649%0.488SS*.Hα-helixtrans-72-29.8178.700000113.8S111 E112 L113 H117S111-A115 WeakPolarHBondContact O-CB 3.28Å; S111-A115 PolarHBondContact O-N 2.93Å; E112-A115 PolarHBondContact O-N 3.3Å; L113-A115 VanDerWaalsContact C-N 3.34Å; A115-H117 VanDerWaalsContact C-N 3.26Å; A115-H117 PolarHBondContact O-N 3.43Å
116I79.9Confident79.1Confident101 Ų10193 Ų9352%0.51847%0.474SS..THydrogen-bonded Turntrans-84.83.5179.5-52.1157.8000111.4E112 S118 I123E112-I116 WeakPolarHBondContact O-CD1 3.15Å; E112-I116 VanDerWaalsContact O-CG1 3.28Å; E112-I116 WeakPolarHBondContact O-CG1 3.27Å; E112-I116 PolarHBondContact O-N 3.46Å; I116-S118 PolarHBondContact O-N 3.47Å; I116-S118 PolarHBondContact O-OG 2.93Å; I116-I123 HydrophobicContact CB-CD1 4.31Å; I116-I123 HydrophobicContact CG2-CD1 3.69Å
117H62.7Low79.1Confident127 Ų12794 Ų9459%0.58848%0.479SS*.  trans-62.391.7-170.8-173.180.5000114R114 A115R114-H117 WeakPolarHBondContact O-CB 3.41Å; R114-H117 PolarHBondContact O-N 2.93Å; A115-H117 VanDerWaalsContact C-N 3.26Å; A115-H117 PolarHBondContact O-N 3.43Å
118S57.7Low79Confident78 Ų7892.4 Ų92.455%0.54548%0.481SS..SBendtrans-127.557.1-177.960.70000111.9I116 D120I116-S118 PolarHBondContact O-N 3.47Å; I116-S118 PolarHBondContact O-OG 2.93Å; S118-D120 PolarHBondContact O-N 3.39Å
119K60.9Low78.9Confident199 Ų19990.5 Ų90.587%0.86548%0.477SS*.SBendtrans56.314.5175-64.3-173.7175.6-178.30116.9
120D76.4Confident78.7Confident89 Ų8986.8 Ų86.848%0.47646%0.46SS..  trans-86.6116.9-178.8-113.4-28.9000111.6S118 K122 I123 E124S118-D120 PolarHBondContact O-N 3.39Å; D120-K122 PolarHBondContact O-N 2.92Å; D120-K122 VanDerWaalsContact O-N 3.08Å; D120-I123 HydrophobicContact CB-CD1 3.99Å; D120-I123 HydrophobicContact CB-CG1 4.07Å; D120-I123 PolarHBondContact O-N 3.01Å; D120-E124 PolarHBondContact O-N 2.94Å
121P77.8Confident78.3Confident90 Ų9090.1 Ų90.158%0.58448%0.476SS*.Hα-helixtrans-65.2-18.8-17525.2-34.4000113.5Q125P121-Q125 PolarHBondContact O-N 2.94Å
122K78.9Confident78.1Confident168 Ų16894.8 Ų94.873%0.7349%0.488SS*.Hα-helixtrans-69.4-34.1173.9-68.4179.2180172.90112.7D120 A126D120-K122 PolarHBondContact O-N 2.92Å; D120-K122 VanDerWaalsContact O-N 3.08Å; K122-A126 WeakPolarHBondContact O-CB 3.46Å; K122-A126 PolarHBondContact O-N 2.71Å; K122-A126 VanDerWaalsContact O-N 3.1Å
123I80.1Confident77.4Confident32 Ų3295.7 Ų95.716%0.16449%0.491CS..Hα-helixtrans-75.3-40-179.8-59.5179.1000109.6L113 I116 D120 Q125 A126 L127L113-I123 HydrophobicContact CB-CG2 4.48Å; L113-I123 HydrophobicContact CG-CG2 4.4Å; I116-I123 HydrophobicContact CB-CD1 4.31Å; I116-I123 HydrophobicContact CG2-CD1 3.69Å; D120-I123 HydrophobicContact CB-CD1 3.99Å; D120-I123 HydrophobicContact CB-CG1 4.07Å; D120-I123 PolarHBondContact O-N 3.01Å; I123-Q125 PolarHBondContact O-N 3.17Å; I123-A126 PolarHBondContact O-N 2.93Å; I123-L127 WeakPolarHBondContact O-CB 3.23Å; I123-L127 PolarHBondContact O-N 3.45Å
124E80.8Confident76.7Confident131 Ų13195.2 Ų95.261%0.61249%0.488SS*.Hα-helixtrans-58.7-45173.8-169.8175.1-174.700111.7D120 A126 L127 A128D120-E124 PolarHBondContact O-N 2.94Å; E124-A126 PolarHBondContact O-N 3.43Å; E124-L127 PolarHBondContact O-N 2.85Å; E124-A128 PolarHBondContact O-N 2.98Å
125Q81.8Confident75.9Confident145 Ų14591.9 Ų91.968%0.67849%0.488SS*.Hα-helixtrans-65.2-37.6175.2-165.617633.600112.8P121 I123 V129P121-Q125 PolarHBondContact O-N 2.94Å; I123-Q125 PolarHBondContact O-N 3.17Å; Q125-V129 WeakPolarHBondContact O-CG2 3.41Å; Q125-V129 PolarHBondContact O-N 3.49Å; Q125-V129 VanDerWaalsContact O-N 3.14Å
126A81.6Confident74.9Confident44 Ų4496.5 Ų96.536%0.36449%0.492SS..Hα-helixtrans-68.2-38.6175.500000112L113 K122 I123 E124 V129 V130L113-A126 HydrophobicContact CD2-CB 3.65Å; K122-A126 WeakPolarHBondContact O-CB 3.46Å; K122-A126 PolarHBondContact O-N 2.71Å; K122-A126 VanDerWaalsContact O-N 3.1Å; I123-A126 PolarHBondContact O-N 2.93Å; E124-A126 PolarHBondContact O-N 3.43Å; A126-V129 PolarHBondContact O-N 3.49Å; A126-V130 WeakPolarHBondContact O-CG2 3.39Å; A126-V130 PolarHBondContact O-N 2.95Å
127L83.4Confident73.9Confident35 Ų3593.3 Ų93.318%0.18348%0.475CS..Hα-helixtrans-65-45.7176.7-172.1147.3000110.4L113 R114 I123 E124 V129 V130 E131L113-L127 HydrophobicContact CB-CD1 4.3Å; L113-L127 HydrophobicContact CD2-CB 4.07Å; R114-L127 HydrophobicContact CG-CD1 3.83Å; I123-L127 WeakPolarHBondContact O-CB 3.23Å; I123-L127 PolarHBondContact O-N 3.45Å; E124-L127 PolarHBondContact O-N 2.85Å; L127-V129 PolarHBondContact O-N 2.81Å; L127-V130 CarbonylContact O-C 3.57Å; L127-V130 PolarHBondContact O-N 3.4Å; L127-E131 WeakPolarHBondContact O-CB 3.37Å; L127-E131 PolarHBondContact O-N 3.4Å
128A81.8Confident73.3Confident51 Ų5191.9 Ų91.942%0.42147%0.465SS..Hα-helixtrans-60.2-31.5173.300000113.2E124 K132E124-A128 PolarHBondContact O-N 2.98Å; A128-K132 WeakPolarHBondContact O-CB 3.48Å; A128-K132 PolarHBondContact O-N 3.41Å
129V84.3Confident72.7Confident73 Ų7390 Ų9044%0.44245%0.45SS..Hα-helixtrans-73-37.7173.2168.70000112.1Q125 A126 L127 K133Q125-V129 WeakPolarHBondContact O-CG2 3.41Å; Q125-V129 PolarHBondContact O-N 3.49Å; Q125-V129 VanDerWaalsContact O-N 3.14Å; A126-V129 PolarHBondContact O-N 3.49Å; L127-V129 PolarHBondContact O-N 2.81Å; V129-K133 WeakPolarHBondContact O-CG 3.41Å; V129-K133 PolarHBondContact O-N 3.49Å
130V80.9Confident71.3Confident3 Ų386 Ų862%0.01844%0.443CS..Hα-helixtrans-67.7-45.9174.4173.70000110.2L106 Q109 E110 L113 A126 L127 K132 K133 M134L106-V130 HydrophobicContact CD2-CG1 4.42Å; Q109-V130 HydrophobicContact CG-CG1 4.48Å; Q109-V130 HydrophobicContact CG-CG2 3.9Å; E110-V130 HydrophobicContact CB-CG1 4.09Å; L113-V130 HydrophobicContact CD2-CG2 4.36Å; A126-V130 WeakPolarHBondContact O-CG2 3.39Å; A126-V130 PolarHBondContact O-N 2.95Å; L127-V130 CarbonylContact O-C 3.57Å; L127-V130 PolarHBondContact O-N 3.4Å; V130-K132 VanDerWaalsContact C-N 3.33Å; V130-K132 PolarHBondContact O-N 2.94Å; V130-K133 CarbonylContact O-C 3.51Å; V130-K133 WeakPolarHBondContact O-CA 3.45Å; V130-K133 WeakPolarHBondContact O-CB 3.47Å; V130-K133 PolarHBondContact O-N 3.06Å; V130-M134 HydrophobicContact CG1-CG 4.46Å; V130-M134 WeakPolarHBondContact O-CG 3.44Å; V130-M134 PolarHBondContact O-N 3.04Å
131E77.8Confident69.7Low106 Ų10691 Ų9150%0.49546%0.464SS..Hα-helixtrans-62.4-36.9175.4-170.7179.2-170.600112.2L127 K133 M134 S135L127-E131 WeakPolarHBondContact O-CB 3.37Å; L127-E131 PolarHBondContact O-N 3.4Å; E131-K133 VanDerWaalsContact C-N 3.34Å; E131-K133 PolarHBondContact O-N 3.07Å; E131-M134 PolarHBondContact O-N 2.88Å; E131-S135 WeakPolarHBondContact O-CB 3.39Å; E131-S135 PolarHBondContact O-N 3.13Å; E131-S135 PolarHBondContact O-OG 2.88Å
132K77.4Confident67.6Low161 Ų16193.1 Ų93.170%0.747%0.47SS*.Hα-helixtrans-69.5-28.3171.9-170.1171-174.6173.20113.3A128 V130 S135A128-K132 WeakPolarHBondContact O-CB 3.48Å; A128-K132 PolarHBondContact O-N 3.41Å; V130-K132 VanDerWaalsContact C-N 3.33Å; V130-K132 PolarHBondContact O-N 2.94Å; K132-S135 WeakPolarHBondContact CA-OG 3.46Å; K132-S135 PolarHBondContact O-OG 2.9Å
133K73.6Confident65.6Low110 Ų11089 Ų8948%0.47848%0.475SS..Hα-helixtrans-76.9-40.2170.5-74.6173-178.6177.20111.1L106 V129 V130 E131 K136 I137L106-K133 HydrophobicContact CD1-CB 4.42Å; L106-K133 HydrophobicContact CD2-CB 4.22Å; L106-K133 HydrophobicContact CD2-CD 4.47Å; V129-K133 WeakPolarHBondContact O-CG 3.41Å; V129-K133 PolarHBondContact O-N 3.49Å; V130-K133 CarbonylContact O-C 3.51Å; V130-K133 WeakPolarHBondContact O-CA 3.45Å; V130-K133 WeakPolarHBondContact O-CB 3.47Å; V130-K133 PolarHBondContact O-N 3.06Å; E131-K133 VanDerWaalsContact C-N 3.34Å; E131-K133 PolarHBondContact O-N 3.07Å; K133-K136 WeakPolarHBondContact O-CB 3.17Å; K133-K136 PolarHBondContact O-N 2.87Å; K133-I137 WeakPolarHBondContact O-CG1 3.25Å; K133-I137 PolarHBondContact O-N 2.99Å
134M68.8Low63.4Low13 Ų1397.9 Ų97.96%0.06451%0.506CS..Hα-helixtrans-64-48175-75-144.274.300111.4E103 L106 K107 V130 E131 K136 I137 Y138E103-M134 HydrophobicContact CG-CE 4.12Å; L106-M134 HydrophobicContact CB-CE 4.24Å; L106-M134 HydrophobicContact CB-CG 3.57Å; L106-M134 HydrophobicContact CB-SD 3.86Å; L106-M134 HydrophobicContact CD1-CG 4.15Å; L106-M134 HydrophobicContact CG-CG 4.36Å; K107-M134 HydrophobicContact CD-CE 4.46Å; K107-M134 HydrophobicContact CG-CE 3.53Å; K107-M134 HydrophobicContact CG-SD 4.1Å; V130-M134 HydrophobicContact CG1-CG 4.46Å; V130-M134 WeakPolarHBondContact O-CG 3.44Å; V130-M134 PolarHBondContact O-N 3.04Å; E131-M134 PolarHBondContact O-N 2.88Å; M134-K136 PolarHBondContact O-N 3.1Å; M134-K136 VanDerWaalsContact O-N 3.12Å; M134-I137 CarbonylContact O-C 3.59Å; M134-I137 WeakPolarHBondContact O-CA 3.43Å; M134-I137 PolarHBondContact O-N 3.23Å; M134-Y138 WeakPolarHBondContact O-CA 3.35Å; M134-Y138 PolarHBondContact O-N 3.25Å
135S63.5Low61.4Low84 Ų8497 Ų9759%0.58751%0.505SS*.Hα-helixtrans-62.4-21175.951.40000114.3E131 K132 I137E131-S135 WeakPolarHBondContact O-CB 3.39Å; E131-S135 PolarHBondContact O-N 3.13Å; E131-S135 PolarHBondContact O-OG 2.88Å; K132-S135 WeakPolarHBondContact CA-OG 3.46Å; K132-S135 PolarHBondContact O-OG 2.9Å; S135-I137 VanDerWaalsContact C-N 3.31Å
136K63.6Low59.4Low187 Ų18798.8 Ų98.881%0.81351%0.511SS*.THydrogen-bonded Turntrans-75.5-18.8169-169.7177.9178-176.60113.1K133 M134K133-K136 WeakPolarHBondContact O-CB 3.17Å; K133-K136 PolarHBondContact O-N 2.87Å; M134-K136 PolarHBondContact O-N 3.1Å; M134-K136 VanDerWaalsContact O-N 3.12Å
137I58.4Low57.8Low34 Ų3499.8 Ų99.817%0.17451%0.509CS..THydrogen-bonded Turntrans-117.4-25.9-172-68.1166.9000112.3E103 L106 K133 M134 S135 I147E103-I137 HydrophobicContact CB-CG2 4.4Å; L106-I137 HydrophobicContact CD1-CD1 3.53Å; K133-I137 WeakPolarHBondContact O-CG1 3.25Å; K133-I137 PolarHBondContact O-N 2.99Å; M134-I137 CarbonylContact O-C 3.59Å; M134-I137 WeakPolarHBondContact O-CA 3.43Å; M134-I137 PolarHBondContact O-N 3.23Å; S135-I137 VanDerWaalsContact C-N 3.31Å; I137-I147 WeakPolarHBondContact O-CD1 3.42Å; I137-I147 WeakPolarHBondContact O-CG1 3.34Å
138Y49.8Very low56.4Low96 Ų96104.1 Ų104.138%0.37652%0.523SS..SBendtrans-144.2118.1-167.3-165.8-102.2000113.3E103 M134 I147E103-Y138 HydrophobicContact CG-CD2 4.04Å; E103-Y138 HydrophobicContact CG-CG 4.5Å; E103-Y138 VanDerWaalsContact OE1-CD2 3.25Å; E103-Y138 WeakPolarHBondContact OE1-CD2 3.35Å; E103-Y138 WeakPolarHBondContact OE1-CE2 3.45Å; E103-Y138 WeakPolarHBondContact OE2-CD2 3.28Å; M134-Y138 WeakPolarHBondContact O-CA 3.35Å; M134-Y138 PolarHBondContact O-N 3.25Å; Y138-I147 HydrophobicContact CD2-CD1 4.45Å
139V46.1Very low55.4Low38 Ų38103.4 Ų103.423%0.2352%0.521CS..  trans23.8125.3134.4-170.40000120.1L145 I147V139-L145 HydrophobicContact CG2-CD2 3.94Å; V139-I147 HydrophobicContact CG2-CD1 3.72Å; V139-I147 HydrophobicContact CG2-CG1 3.89Å
140T31.5Very low54.5Low116 Ų116103.2 Ų103.271%0.71253%0.527SS*.  trans-88149.2158.8-48.70000110.8D142T140-D142 VanDerWaalsContact C-N 3.25Å; T140-D142 PolarHBondContact O-N 2.89Å
141E41.6Very low54.1Low194 Ų194104.9 Ų104.991%0.90754%0.535SS*.SBendtrans-60-9.2-166.4-72.2-174.911000118.1G143E141-G143 VanDerWaalsContact C-N 3.26Å; E141-G143 PolarHBondContact O-N 3.28Å
142D33.4Very low54Low135 Ų135101.6 Ų101.672%0.72252%0.52SS*.SBendtrans-81.148.9-168.4-59.4-47.6000115.6T140 R144T140-D142 VanDerWaalsContact C-N 3.25Å; T140-D142 PolarHBondContact O-N 2.89Å; D142-R144 PolarHBondContact O-N 3.13Å
143G38.3Very low54.1Low80 Ų80102.3 Ų102.383%0.82552%0.519SS*.SBendtrans57.212.916400000117.1E141E141-G143 VanDerWaalsContact C-N 3.26Å; E141-G143 PolarHBondContact O-N 3.28Å
144R33.1Very low54.6Low219 Ų21999 Ų9983%0.82651%0.508SS*.  trans-137.583.6-173.8-68.1-171.7-177.7-165.82.9110.9D142 K146D142-R144 PolarHBondContact O-N 3.13Å; R144-K146 PolarHBondContact O-N 3.05Å; R144-K146 VanDerWaalsContact O-N 3.09Å
145L39.5Very low55.3Low113 Ų11399.9 Ų99.959%0.59251%0.511SS*.  trans-40.5112174.9-71164.4000112.5V139V139-L145 HydrophobicContact CG2-CD2 3.94Å
146K39Very low56.3Low183 Ų18397.3 Ų97.380%0.79649%0.49SS*.  trans-126.430.6-177.2-141.9179.3-177.9-176.50114.7R144 R148R144-K146 PolarHBondContact O-N 3.05Å; R144-K146 VanDerWaalsContact O-N 3.09Å; K146-R148 PolarHBondContact O-N 3.42Å
147I48.3Very low57.5Low64 Ų6492.4 Ų92.433%0.32847%0.472SS..  trans-73.929.2152.9-46.9160.7000109.9I137 Y138 V139 G149I137-I147 WeakPolarHBondContact O-CD1 3.42Å; I137-I147 WeakPolarHBondContact O-CG1 3.34Å; Y138-I147 HydrophobicContact CD2-CD1 4.45Å; V139-I147 HydrophobicContact CG2-CD1 3.72Å; V139-I147 HydrophobicContact CG2-CG1 3.89Å; I147-G149 PolarHBondContact O-N 3.44Å
148R53.2Low58.9Low127 Ų12791.1 Ų91.148%0.47947%0.466SS..THydrogen-bonded Turntrans-83.223.9-167.5-162.1172.7160.8-157.9-13.4112.6K146 M152K146-R148 PolarHBondContact O-N 3.42Å; R148-M152 HydrophobicContact CB-CG 4.35Å; R148-M152 HydrophobicContact CG-CG 3.72Å; R148-M152 HydrophobicContact CG-SD 4.34Å; R148-M152 WeakPolarHBondContact O-CG 3.27Å
149G60.7Low60.8Low36 Ų3686.6 Ų86.637%0.37145%0.448SS..THydrogen-bonded Turntrans-114.1-87-175.500000111.3I147 L151 M152 W153I147-G149 PolarHBondContact O-N 3.44Å; G149-L151 PolarHBondContact O-N 3.01Å; G149-M152 PolarHBondContact O-N 2.91Å; G149-W153 WeakPolarHBondContact O-CB 2.92Å; G149-W153 PolarHBondContact O-N 3.39Å
150A65.9Low62.9Low68 Ų6887.9 Ų87.956%0.56245%0.453SS*.Hα-helixtrans-58.2-46.1-17600000113W153 T154A150-W153 WeakPolarHBondContact O-CB 3.2Å; A150-W153 PolarHBondContact O-N 3.38Å; A150-T154 PolarHBondContact O-N 2.85Å; A150-T154 PolarHBondContact O-OG1 3.16Å
151L73.1Confident65.9Low39 Ų3984.4 Ų84.420%0.20443%0.433CS..Hα-helixtrans-63.8-46.1179.1-171.569.4000111.7Y92 V96 L99 G149 W153 T154 Y155Y92-L151 HydrophobicContact CE2-CD1 3.65Å; Y92-L151 HydrophobicContact CE2-CG 4.07Å; V96-L151 HydrophobicContact CG2-CD1 3.68Å; L99-L151 HydrophobicContact CD1-CD1 4.35Å; G149-L151 PolarHBondContact O-N 3.01Å; L151-W153 VanDerWaalsContact C-N 3.28Å; L151-W153 PolarHBondContact O-N 2.99Å; L151-T154 WeakPolarHBondContact CA-OG1 3.3Å; L151-T154 PolarHBondContact O-N 2.88Å; L151-T154 PolarHBondContact O-OG1 3.16Å; L151-Y155 WeakPolarHBondContact O-CB 3.2Å; L151-Y155 PolarHBondContact O-N 3.32Å
152M74.4Confident68.3Low36 Ų3676.5 Ų76.518%0.17740%0.396CS..Hα-helixtrans-59.5-37.1174.2-69.3-66.8-58.300112.3R148 G149 Y155 I156 L231R148-M152 HydrophobicContact CB-CG 4.35Å; R148-M152 HydrophobicContact CG-CG 3.72Å; R148-M152 HydrophobicContact CG-SD 4.34Å; R148-M152 WeakPolarHBondContact O-CG 3.27Å; G149-M152 PolarHBondContact O-N 2.91Å; M152-Y155 PolarHBondContact O-N 3.18Å; M152-I156 WeakPolarHBondContact O-CB 2.95Å; M152-I156 WeakPolarHBondContact O-CD1 3.49Å; M152-I156 WeakPolarHBondContact O-CG1 3.48Å; M152-I156 PolarHBondContact O-N 2.86Å; M152-L231 HydrophobicContact CE-CD2 3.86Å
153W81Confident71.1Confident176 Ų17670.7 Ų70.767%0.66737%0.366SS*.Hα-helixtrans-66.5-47.6174.6-101.494.5000112G149 A150 L151 Y155 I156 I157G149-W153 WeakPolarHBondContact O-CB 2.92Å; G149-W153 PolarHBondContact O-N 3.39Å; A150-W153 WeakPolarHBondContact O-CB 3.2Å; A150-W153 PolarHBondContact O-N 3.38Å; L151-W153 VanDerWaalsContact C-N 3.28Å; L151-W153 PolarHBondContact O-N 2.99Å; W153-Y155 PolarHBondContact O-N 3.3Å; W153-I156 PolarHBondContact O-N 2.96Å; W153-I157 HydrophobicContact CE3-CD1 3.89Å; W153-I157 HydrophobicContact CE3-CG1 4.16Å; W153-I157 HydrophobicContact CZ3-CD1 4.42Å; W153-I157 WeakPolarHBondContact O-CB 3.5Å; W153-I157 VanDerWaalsContact O-CG1 3.29Å; W153-I157 WeakPolarHBondContact O-CG1 3.34Å; W153-I157 PolarHBondContact O-N 2.8Å
154T83.6Confident73.9Confident42 Ų4272 Ų7226%0.25835%0.353SS..Hα-helixtrans-61.8-34.1174.8540000112.1H95 A150 L151 S158H95-T154 PolarHBondContact ND1-OG1 2.91Å; H95-T154 VanDerWaalsContact ND1-OG1 3.16Å; A150-T154 PolarHBondContact O-N 2.85Å; A150-T154 PolarHBondContact O-OG1 3.16Å; L151-T154 WeakPolarHBondContact CA-OG1 3.3Å; L151-T154 PolarHBondContact O-N 2.88Å; L151-T154 PolarHBondContact O-OG1 3.16Å; T154-S158 WeakPolarHBondContact O-CB 3.24Å; T154-S158 PolarHBondContact O-N 3.46Å
155Y82.5Confident76.9Confident31 Ų3164.9 Ų64.912%0.12233%0.328CS..Hα-helixtrans-66.2-52.4174.3-169.1-112.2000112.1S18 Y92 L151 M152 W153 I157 S158 V159 E227 L231S18-Y155 WeakPolarHBondContact CB-OH 3.08Å; S18-Y155 PolarHBondContact OG-OH 2.85Å; Y92-Y155 HydrophobicContact CD1-CD2 4.1Å; Y92-Y155 HydrophobicContact CD2-CD2 4.05Å; Y92-Y155 AromaticContact CE1-CD2 3.78Å; Y92-Y155 HydrophobicContact CE1-CD2 3.78Å; Y92-Y155 HydrophobicContact CE1-CE2 4.22Å; Y92-Y155 AromaticContact CE2-CD2 3.73Å; Y92-Y155 HydrophobicContact CE2-CD2 3.73Å; Y92-Y155 HydrophobicContact CE2-CG 4.17Å; Y92-Y155 HydrophobicContact CG-CD2 4.22Å; Y92-Y155 AromaticContact CZ-CD2 3.58Å; L151-Y155 WeakPolarHBondContact O-CB 3.2Å; L151-Y155 PolarHBondContact O-N 3.32Å; M152-Y155 PolarHBondContact O-N 3.18Å; W153-Y155 PolarHBondContact O-N 3.3Å; Y155-I157 VanDerWaalsContact C-N 3.33Å; Y155-I157 PolarHBondContact O-N 3.3Å; Y155-S158 WeakPolarHBondContact O-CA 3.29Å; Y155-S158 WeakPolarHBondContact O-CB 3.15Å; Y155-S158 PolarHBondContact O-N 3.43Å; Y155-S158 PolarHBondContact O-OG 2.82Å; Y155-V159 HydrophobicContact CD1-CG2 4.34Å; Y155-V159 HydrophobicContact CE1-CG2 4.01Å; Y155-V159 HydrophobicContact CE2-CG2 4.45Å; Y155-V159 WeakPolarHBondContact O-CG2 3.32Å; Y155-V159 PolarHBondContact O-N 2.49Å; Y155-E227 VanDerWaalsContact CE1-OE1 3.26Å; Y155-E227 WeakPolarHBondContact CE1-OE1 3.45Å; Y155-E227 PolarHBondContact OH-OE1 2.99Å; Y155-L231 HydrophobicContact CD1-CD1 4.04Å; Y155-L231 HydrophobicContact CE1-CD1 3.97Å
156I84.5Confident79.6Confident29 Ų2959.5 Ų59.515%0.14930%0.3CS..Hα-helixtrans-58.1-45.1177.9-71.9163.2000110.7M152 W153 S158 V159 I160 L228 L231M152-I156 WeakPolarHBondContact O-CB 2.95Å; M152-I156 WeakPolarHBondContact O-CD1 3.49Å; M152-I156 WeakPolarHBondContact O-CG1 3.48Å; M152-I156 PolarHBondContact O-N 2.86Å; W153-I156 PolarHBondContact O-N 2.96Å; I156-S158 VanDerWaalsContact C-N 3.33Å; I156-S158 PolarHBondContact O-N 3.47Å; I156-V159 PolarHBondContact O-N 3.42Å; I156-I160 HydrophobicContact CG2-CD1 3.7Å; I156-I160 HydrophobicContact CG2-CG1 4.44Å; I156-I160 WeakPolarHBondContact O-CB 3.49Å; I156-I160 VanDerWaalsContact O-CG1 3.28Å; I156-I160 WeakPolarHBondContact O-CG1 3.25Å; I156-I160 PolarHBondContact O-N 3.3Å; I156-L228 HydrophobicContact CG2-CD1 4.27Å; I156-L231 HydrophobicContact CG1-CD1 4.23Å
157I88.8Confident82.3Confident84 Ų8452 Ų5243%0.43127%0.272SS..Hα-helixtrans-58.4-46.1173.5-69.5167.4000110.2W153 Y155 V159 I160 C161W153-I157 HydrophobicContact CE3-CD1 3.89Å; W153-I157 HydrophobicContact CE3-CG1 4.16Å; W153-I157 HydrophobicContact CZ3-CD1 4.42Å; W153-I157 WeakPolarHBondContact O-CB 3.5Å; W153-I157 VanDerWaalsContact O-CG1 3.29Å; W153-I157 WeakPolarHBondContact O-CG1 3.34Å; W153-I157 PolarHBondContact O-N 2.8Å; Y155-I157 VanDerWaalsContact C-N 3.33Å; Y155-I157 PolarHBondContact O-N 3.3Å; I157-V159 VanDerWaalsContact C-N 3.34Å; I157-V159 PolarHBondContact O-N 2.91Å; I157-I160 PolarHBondContact O-N 2.9Å; I157-C161 WeakPolarHBondContact O-CB 3.47Å; I157-C161 PolarHBondContact O-N 3.43Å; I157-C161 PolarHBondContact O-SG 3.39Å
158S89Confident84.6Confident7 Ų751 Ų515%0.04928%0.277CS..Hα-helixtrans-61-39.9179.181.80000113.1P88 T154 Y155 I156 K162P88-S158 WeakPolarHBondContact CB-O 3.5Å; T154-S158 WeakPolarHBondContact O-CB 3.24Å; T154-S158 PolarHBondContact O-N 3.46Å; Y155-S158 WeakPolarHBondContact O-CA 3.29Å; Y155-S158 WeakPolarHBondContact O-CB 3.15Å; Y155-S158 PolarHBondContact O-N 3.43Å; Y155-S158 PolarHBondContact O-OG 2.82Å; I156-S158 VanDerWaalsContact C-N 3.33Å; I156-S158 PolarHBondContact O-N 3.47Å; S158-K162 WeakPolarHBondContact O-CB 3.39Å; S158-K162 VanDerWaalsContact O-CG 3.26Å; S158-K162 WeakPolarHBondContact O-CG 3.46Å; S158-K162 PolarHBondContact O-N 2.89Å
159V88.3Confident86.7Confident1 Ų146.3 Ų46.31%0.00626%0.261CS..Hα-helixtrans-69.4-40.7177.8174.40000111.1Y155 I156 I157 K162 S163 E227 L228Y155-V159 HydrophobicContact CD1-CG2 4.34Å; Y155-V159 HydrophobicContact CE1-CG2 4.01Å; Y155-V159 HydrophobicContact CE2-CG2 4.45Å; Y155-V159 WeakPolarHBondContact O-CG2 3.32Å; Y155-V159 PolarHBondContact O-N 2.49Å; I156-V159 PolarHBondContact O-N 3.42Å; I157-V159 VanDerWaalsContact C-N 3.34Å; I157-V159 PolarHBondContact O-N 2.91Å; V159-K162 PolarHBondContact O-N 3.07Å; V159-S163 WeakPolarHBondContact O-CB 3.28Å; V159-S163 PolarHBondContact O-N 2.64Å; V159-E227 HydrophobicContact CG1-CG 4.29Å; V159-E227 HydrophobicContact CG2-CG 4.49Å; V159-L228 HydrophobicContact CG1-CB 4.09Å
160I91.6Very high88.3Confident66 Ų6645.4 Ų45.434%0.33825%0.247SC..Hα-helixtrans-62.7-48.6174.1-69.4168000110.4I156 I157 K162 S163 I164 L228I156-I160 HydrophobicContact CG2-CD1 3.7Å; I156-I160 HydrophobicContact CG2-CG1 4.44Å; I156-I160 WeakPolarHBondContact O-CB 3.49Å; I156-I160 VanDerWaalsContact O-CG1 3.28Å; I156-I160 WeakPolarHBondContact O-CG1 3.25Å; I156-I160 PolarHBondContact O-N 3.3Å; I157-I160 PolarHBondContact O-N 2.9Å; I160-K162 PolarHBondContact O-N 3.38Å; I160-S163 PolarHBondContact O-N 3.36Å; I160-I164 HydrophobicContact CG2-CD1 3.72Å; I160-I164 HydrophobicContact CG2-CG1 4.42Å; I160-I164 WeakPolarHBondContact O-CG1 3.16Å; I160-I164 PolarHBondContact O-N 2.85Å; I160-L228 HydrophobicContact CD1-CD1 4.2Å; I160-L228 HydrophobicContact CG1-CD1 3.79Å; I160-L228 HydrophobicContact CG1-CD2 3.86Å
161C93.9Very high89.7Confident43 Ų4347.5 Ų47.529%0.29125%0.247SC..Hα-helixtrans-60.2-42.6177.1-69.70000112.1P88 I157 I164 F165P88-C161 HydrophobicContact CB-CB 4.2Å; P88-C161 HydrophobicContact CG-CB 3.84Å; I157-C161 WeakPolarHBondContact O-CB 3.47Å; I157-C161 PolarHBondContact O-N 3.43Å; I157-C161 PolarHBondContact O-SG 3.39Å; C161-I164 PolarHBondContact O-N 3.44Å; C161-F165 HydrophobicContact CB-CE2 4.34Å; C161-F165 WeakPolarHBondContact O-CD2 3.38Å; C161-F165 WeakPolarHBondContact O-CG 3.44Å; C161-F165 PolarHBondContact O-N 3.21Å
162K91.8Very high90.8Very high27 Ų2746.5 Ų46.512%0.11725%0.247CC..Hα-helixtrans-57-50.6171.7-77.2170-179.1-171.90111.8P88 T89 S158 V159 I160 I164 F165 E166P88-K162 HydrophobicContact CB-CG 4.04Å; P88-K162 HydrophobicContact CG-CG 4.16Å; T89-K162 WeakPolarHBondContact OG1-CE 3.42Å; T89-K162 PolarHBondContact OG1-NZ 2.99Å; S158-K162 WeakPolarHBondContact O-CB 3.39Å; S158-K162 VanDerWaalsContact O-CG 3.26Å; S158-K162 WeakPolarHBondContact O-CG 3.46Å; S158-K162 PolarHBondContact O-N 2.89Å; V159-K162 PolarHBondContact O-N 3.07Å; I160-K162 PolarHBondContact O-N 3.38Å; K162-I164 VanDerWaalsContact C-N 3.3Å; K162-I164 PolarHBondContact O-N 2.87Å; K162-F165 PolarHBondContact O-N 3.41Å; K162-E166 WeakPolarHBondContact O-CB 3.27Å; K162-E166 PolarHBondContact O-N 2.94Å
163S93.5Very high91.7Very high14 Ų1445.2 Ų45.210%0.09824%0.24CC..Hα-helixtrans-61.1-39.1-179.2-173.60000111.9V159 I160 A167 L221 L225V159-S163 WeakPolarHBondContact O-CB 3.28Å; V159-S163 PolarHBondContact O-N 2.64Å; I160-S163 PolarHBondContact O-N 3.36Å; S163-A167 WeakPolarHBondContact O-CB 3.41Å; S163-A167 PolarHBondContact O-N 3.05Å; S163-L221 WeakPolarHBondContact OG-CD1 3.34Å; S163-L225 WeakPolarHBondContact OG-CD2 3.46Å
164I96.3Very high92.3Very high108 Ų10843.2 Ų43.255%0.55423%0.233SC*.Hα-helixtrans-67.4-47.1176.6-69168.3000110.9I160 C161 K162 G168I160-I164 HydrophobicContact CG2-CD1 3.72Å; I160-I164 HydrophobicContact CG2-CG1 4.42Å; I160-I164 WeakPolarHBondContact O-CG1 3.16Å; I160-I164 PolarHBondContact O-N 2.85Å; C161-I164 PolarHBondContact O-N 3.44Å; K162-I164 VanDerWaalsContact C-N 3.3Å; K162-I164 PolarHBondContact O-N 2.87Å; I164-G168 PolarHBondContact O-N 2.88Å
165F96.3Very high92.8Very high69 Ų6950.5 Ų50.530%0.30326%0.257SS..Hα-helixtrans-64.9-48.8177.6-67.3-44.2000111.4F84 V85 P88 C161 K162 A167 G168 F169F84-F165 HydrophobicContact CB-CB 4.46Å; F84-F165 HydrophobicContact CB-CD1 4.46Å; F84-F165 HydrophobicContact CB-CD2 4.37Å; F84-F165 HydrophobicContact CB-CG 4.21Å; F84-F165 HydrophobicContact CD1-CD1 4.32Å; F84-F165 AromaticContact CD1-CE1 4Å; F84-F165 HydrophobicContact CD1-CE1 4Å; F84-F165 HydrophobicContact CD1-CE2 4.44Å; F84-F165 HydrophobicContact CD1-CZ 4.07Å; F84-F165 VanDerWaalsContact O-CD2 3.25Å; F84-F165 WeakPolarHBondContact O-CD2 3.39Å; V85-F165 HydrophobicContact CG2-CB 4.11Å; P88-F165 HydrophobicContact CG-CD2 4.11Å; P88-F165 HydrophobicContact CG-CE2 4.05Å; C161-F165 HydrophobicContact CB-CE2 4.34Å; C161-F165 WeakPolarHBondContact O-CD2 3.38Å; C161-F165 WeakPolarHBondContact O-CG 3.44Å; C161-F165 PolarHBondContact O-N 3.21Å; K162-F165 PolarHBondContact O-N 3.41Å; F165-A167 PolarHBondContact O-N 3.25Å; F165-G168 PolarHBondContact O-N 2.93Å; F165-G168 VanDerWaalsContact O-N 3.16Å; F165-F169 VanDerWaalsContact O-CD2 3.27Å; F165-F169 WeakPolarHBondContact O-CD2 3.34Å; F165-F169 PolarHBondContact O-N 3.35Å
166E95.1Very high93.3Very high0 Ų053.1 Ų53.10%027%0.272CS..Hα-helixtrans-57-48.4178.6-169.568.4-105.700111.3R33 Q81 V85 K162 F169 L170 S220 L221R33-E166 IonicContact CZ-OE1 3.42Å; R33-E166 IonicContact CZ-OE2 3.6Å; R33-E166 IonicContact NH1-OE1 3.91Å; R33-E166 IonicContact NH1-OE2 3.62Å; R33-E166 PolarHBondContact NH1-OE2 2.65Å; R33-E166 IonicContact NH2-OE1 3.91Å; R33-E166 PolarHBondContact NH2-OE1 2.93Å; R33-E166 IonicContact NH2-OE2 2.69Å; R33-E166 PolarHBondContact NH2-OE2 3.21Å; Q81-E166 PolarHBondContact NE2-OE1 2.87Å; V85-E166 HydrophobicContact CG2-CB 4.27Å; K162-E166 WeakPolarHBondContact O-CB 3.27Å; K162-E166 PolarHBondContact O-N 2.94Å; E166-F169 PolarHBondContact O-N 2.91Å; E166-L170 HydrophobicContact CG-CD1 4.25Å; E166-L170 WeakPolarHBondContact O-CB 3.39Å; E166-L170 WeakPolarHBondContact O-CD1 3.45Å; E166-L170 VanDerWaalsContact O-CG 3.23Å; E166-L170 WeakPolarHBondContact O-CG 3.23Å; E166-L170 PolarHBondContact O-N 3.3Å; E166-S220 PolarHBondContact OE2-OG 3.41Å; E166-L221 HydrophobicContact CG-CB 4.04Å
167A96.6Very high93.5Very high26 Ų2653.1 Ų53.122%0.21527%0.271CS..Hα-helixtrans-63.5-42.2174.900000112.6S163 F165 L170 I171 L221S163-A167 WeakPolarHBondContact O-CB 3.41Å; S163-A167 PolarHBondContact O-N 3.05Å; F165-A167 PolarHBondContact O-N 3.25Å; A167-L170 PolarHBondContact O-N 3.36Å; A167-I171 WeakPolarHBondContact O-CB 3.25Å; A167-I171 WeakPolarHBondContact O-CD1 3.4Å; A167-I171 VanDerWaalsContact O-CG1 3.25Å; A167-I171 WeakPolarHBondContact O-CG1 3.45Å; A167-I171 PolarHBondContact O-N 3.36Å; A167-L221 HydrophobicContact CB-CD1 4.16Å; A167-L221 HydrophobicContact CB-CD2 4.06Å
168G97.1Very high93.5Very high42 Ų4250.3 Ų50.343%0.43326%0.262SS..Hα-helixtrans-61.7-42.8177.900000112.9I164 F165 G172I164-G168 PolarHBondContact O-N 2.88Å; F165-G168 PolarHBondContact O-N 2.93Å; F165-G168 VanDerWaalsContact O-N 3.16Å; G168-G172 PolarHBondContact O-N 2.83Å
169F96.2Very high93.3Very high29 Ų2955.6 Ų55.613%0.12729%0.285CS..Hα-helixtrans-71.4-33.2175.4-82-81.1000112.7Y77 L80 Q81 F84 F165 E166 Q173Y77-F169 HydrophobicContact CD1-CD1 4.38Å; Y77-F169 HydrophobicContact CE1-CB 4.42Å; Y77-F169 AromaticContact CE1-CD1 3.72Å; Y77-F169 HydrophobicContact CE1-CD1 3.72Å; Y77-F169 HydrophobicContact CE2-CD1 4.11Å; Y77-F169 HydrophobicContact CE2-CE1 4.36Å; Y77-F169 AromaticContact CZ-CD1 3.56Å; Y77-F169 WeakPolarHBondContact OH-CA 3.35Å; Y77-F169 PolarHBondContact OH-O 2.97Å; L80-F169 HydrophobicContact CB-CE1 3.99Å; L80-F169 HydrophobicContact CB-CZ 4.12Å; Q81-F169 HydrophobicContact CB-CB 4.04Å; Q81-F169 HydrophobicContact CB-CD1 3.58Å; Q81-F169 HydrophobicContact CB-CD2 4.16Å; Q81-F169 HydrophobicContact CB-CE1 4.05Å; Q81-F169 HydrophobicContact CB-CG 3.66Å; Q81-F169 HydrophobicContact CG-CB 3.57Å; Q81-F169 HydrophobicContact CG-CD1 4.12Å; Q81-F169 HydrophobicContact CG-CD2 4.12Å; Q81-F169 HydrophobicContact CG-CG 3.68Å; F84-F169 HydrophobicContact CB-CE2 3.67Å; F84-F169 HydrophobicContact CB-CZ 4.26Å; F84-F169 AromaticContact CD2-CE2 3.96Å; F84-F169 HydrophobicContact CD2-CE2 3.96Å; F84-F169 AromaticContact CD2-CZ 3.72Å; F84-F169 HydrophobicContact CD2-CZ 3.72Å; F84-F169 HydrophobicContact CE2-CZ 4.45Å; F84-F169 AromaticContact CG-CE2 3.99Å; F84-F169 HydrophobicContact CG-CE2 3.99Å; F84-F169 HydrophobicContact CG-CZ 4.23Å; F165-F169 VanDerWaalsContact O-CD2 3.27Å; F165-F169 WeakPolarHBondContact O-CD2 3.34Å; F165-F169 PolarHBondContact O-N 3.35Å; E166-F169 PolarHBondContact O-N 2.91Å; F169-Q173 VanDerWaalsContact O-CB 3.25Å; F169-Q173 WeakPolarHBondContact O-CB 3.34Å; F169-Q173 PolarHBondContact O-N 2.92Å
170L95.4Very high93.3Very high16 Ų1659.1 Ų59.18%0.08431%0.309CS..Hα-helixtrans-65.8-45.3172.6-74165.1000112.1E166 A167 W174 L214 L218 L221E166-L170 HydrophobicContact CG-CD1 4.25Å; E166-L170 WeakPolarHBondContact O-CB 3.39Å; E166-L170 WeakPolarHBondContact O-CD1 3.45Å; E166-L170 VanDerWaalsContact O-CG 3.23Å; E166-L170 WeakPolarHBondContact O-CG 3.23Å; E166-L170 PolarHBondContact O-N 3.3Å; A167-L170 PolarHBondContact O-N 3.36Å; L170-W174 PolarHBondContact O-N 2.9Å; L170-W174 VanDerWaalsContact O-N 3.11Å; L170-L214 HydrophobicContact CD2-CD1 3.79Å; L170-L218 HydrophobicContact CD1-CD2 4.27Å; L170-L218 HydrophobicContact CD2-CG 4.48Å; L170-L221 HydrophobicContact CD1-CB 4.21Å; L170-L221 HydrophobicContact CD1-CD2 3.92Å
171I95.9Very high93.1Very high112 Ų11256.9 Ų56.957%0.57430%0.297SS*.Hα-helixtrans-66.6-41.6177.2-66.1164000110.6A167 W174 Y175A167-I171 WeakPolarHBondContact O-CB 3.25Å; A167-I171 WeakPolarHBondContact O-CD1 3.4Å; A167-I171 VanDerWaalsContact O-CG1 3.25Å; A167-I171 WeakPolarHBondContact O-CG1 3.45Å; A167-I171 PolarHBondContact O-N 3.36Å; I171-W174 PolarHBondContact O-N 2.83Å; I171-Y175 WeakPolarHBondContact O-CB 3.33Å; I171-Y175 PolarHBondContact O-N 3.49Å
172G95.1Very high92.9Very high18 Ų1861.1 Ų61.119%0.18632%0.316CS..Hα-helixtrans-65.1-42.117700000113.2Y77 G168 W174 Y175 L176Y77-G172 VanDerWaalsContact OH-C 3.27Å; Y77-G172 VanDerWaalsContact OH-CA 3.32Å; Y77-G172 WeakPolarHBondContact OH-CA 3.33Å; G168-G172 PolarHBondContact O-N 2.83Å; G172-W174 VanDerWaalsContact C-N 3.33Å; G172-W174 PolarHBondContact O-N 3.4Å; G172-Y175 PolarHBondContact O-N 2.94Å; G172-L176 WeakPolarHBondContact O-CB 3.22Å; G172-L176 WeakPolarHBondContact O-CG 3.45Å; G172-L176 PolarHBondContact O-N 3.14Å
173Q94.3Very high92.8Very high9 Ų963.5 Ų63.54%0.04234%0.335CS..Hα-helixtrans-57.5-47.2172.9176.667.538.300110.7H74 Y77 F169 Y177 G178H74-Q173 PolarHBondContact CD2-NE2 3.4Å; H74-Q173 PolarHBondContact NE2-NE2 3.31Å; Y77-Q173 HydrophobicContact CE1-CB 3.87Å; Y77-Q173 PolarHBondContact OH-N 3.29Å; Y77-Q173 VanDerWaalsContact OH-N 3.1Å; F169-Q173 VanDerWaalsContact O-CB 3.25Å; F169-Q173 WeakPolarHBondContact O-CB 3.34Å; F169-Q173 PolarHBondContact O-N 2.92Å; Q173-Y177 VanDerWaalsContact NE2-CD2 3.29Å; Q173-Y177 PolarHBondContact O-N 2.66Å; Q173-G178 PolarHBondContact O-N 2.9Å
174W93.6Very high92.8Very high135 Ų13569.2 Ų69.251%0.51135%0.354SS..Hα-helixtrans-63.2-41.7178.5177.269000112.6L170 I171 G172 G178 F179L170-W174 PolarHBondContact O-N 2.9Å; L170-W174 VanDerWaalsContact O-N 3.11Å; I171-W174 PolarHBondContact O-N 2.83Å; G172-W174 VanDerWaalsContact C-N 3.33Å; G172-W174 PolarHBondContact O-N 3.4Å; W174-G178 VanDerWaalsContact O-CA 3.22Å; W174-G178 WeakPolarHBondContact O-CA 3.5Å; W174-G178 PolarHBondContact O-N 3.29Å; W174-F179 AromaticContact CD1-CE1 3.54Å; W174-F179 AromaticContact CD1-CE2 3.51Å; W174-F179 AromaticContact CD1-CZ 3.23Å; W174-F179 HydrophobicContact CG-CZ 4.31Å; W174-F179 AromaticContact NE1-CD2 3.99Å; W174-F179 AromaticContact NE1-CE2 3.23Å; W174-F179 AromaticContact NE1-CZ 3.31Å; W174-F179 VanDerWaalsContact NE1-CZ 3.31Å
175Y93.6Very high92.7Very high195 Ų19566.9 Ų66.977%0.76534%0.339SS*.Hα-helixtrans-71.9-38.2179.7-173.2-98.2000113.4I171 G172I171-Y175 WeakPolarHBondContact O-CB 3.33Å; I171-Y175 PolarHBondContact O-N 3.49Å; G172-Y175 PolarHBondContact O-N 2.94Å
176L91.8Very high92.7Very high85 Ų8567 Ų6745%0.44535%0.345SS..Hα-helixtrans-80.1-38.1-177.5-71.2171.6000113.4Y77 G172Y77-L176 HydrophobicContact CD2-CD1 4.32Å; Y77-L176 HydrophobicContact CE2-CD1 3.88Å; G172-L176 WeakPolarHBondContact O-CB 3.22Å; G172-L176 WeakPolarHBondContact O-CG 3.45Å; G172-L176 PolarHBondContact O-N 3.14Å
177Y89Confident92.7Very high30 Ų3067 Ų6712%0.11835%0.345CS..Hα-helixtrans-129.6-13.1-168.8-45.8-74.1000114.4I72 H74 Y77 Q173I72-Y177 WeakPolarHBondContact CG2-OH 3.34Å; I72-Y177 PolarHBondContact O-OH 3.42Å; H74-Y177 AromaticContact CE1-CD1 3.27Å; H74-Y177 WeakPolarHBondContact CE1-CD1 3.41Å; H74-Y177 AromaticContact CE1-CE1 3.6Å; H74-Y177 AromaticContact CE1-CG 3.53Å; H74-Y177 AromaticContact ND1-CE1 3.98Å; H74-Y177 WeakPolarHBondContact NE2-CB 3.44Å; H74-Y177 AromaticContact NE2-CD1 3.56Å; H74-Y177 AromaticContact NE2-CD2 3.63Å; H74-Y177 AromaticContact NE2-CG 3.27Å; H74-Y177 VanDerWaalsContact NE2-CG 3.27Å; Y77-Y177 HydrophobicContact CD1-CE2 4.47Å; Y77-Y177 HydrophobicContact CD2-CE2 4.38Å; Y77-Y177 HydrophobicContact CG-CE2 4.2Å; Q173-Y177 VanDerWaalsContact NE2-CD2 3.29Å; Q173-Y177 PolarHBondContact O-N 2.66Å
178G89.8Confident92.7Very high24 Ų2472.9 Ų72.925%0.24737%0.366CS..  trans68.3-153.2-173.800000113.5Q173 W174Q173-G178 PolarHBondContact O-N 2.9Å; W174-G178 VanDerWaalsContact O-CA 3.22Å; W174-G178 WeakPolarHBondContact O-CA 3.5Å; W174-G178 PolarHBondContact O-N 3.29Å
179F84.6Confident92.5Very high119 Ų11975.6 Ų75.652%0.52236%0.363SS..SBendtrans-98.4-13.9-176.6-62.1-62.2000114.4W174 L214W174-F179 AromaticContact CD1-CE1 3.54Å; W174-F179 AromaticContact CD1-CE2 3.51Å; W174-F179 AromaticContact CD1-CZ 3.23Å; W174-F179 HydrophobicContact CG-CZ 4.31Å; W174-F179 AromaticContact NE1-CD2 3.99Å; W174-F179 AromaticContact NE1-CE2 3.23Å; W174-F179 AromaticContact NE1-CZ 3.31Å; W174-F179 VanDerWaalsContact NE1-CZ 3.31Å; F179-L214 HydrophobicContact CD1-CD2 3.65Å; F179-L214 HydrophobicContact CE1-CD2 3.86Å
180S88.1Confident92.4Very high74 Ų7480.9 Ų80.952%0.51739%0.393SS..SBendtrans-157.2139.4-172.7-176.50000110.8S207S180-S207 PolarHBondContact OG-OG 3.23Å
181M87.2Confident92.4Very high19 Ų1982.8 Ų82.89%0.09441%0.406CS..  trans-82.7114.2176-70.5-105.8-122.900110F70 H74 P203 K206 S207 I210F70-M181 HydrophobicContact CE1-CE 3.92Å; F70-M181 HydrophobicContact CE1-SD 3.58Å; F70-M181 VanDerWaalsContact CE1-SD 3.58Å; F70-M181 HydrophobicContact CZ-CE 4.24Å; F70-M181 HydrophobicContact CZ-SD 3.88Å; H74-M181 VanDerWaalsContact CE1-CE 3.49Å; H74-M181 WeakPolarHBondContact CE1-CE 3.5Å; M181-P203 HydrophobicContact CB-CB 4.32Å; M181-K206 HydrophobicContact CE-CB 3.91Å; M181-K206 HydrophobicContact CE-CD 3.91Å; M181-K206 HydrophobicContact CE-CG 4.38Å; M181-S207 PolarHBondContact N-OG 3.1Å; M181-I210 HydrophobicContact CE-CD1 4.26Å; M181-I210 HydrophobicContact CG-CD1 3.58Å
182L89.1Confident92.4Very high132 Ų13278.1 Ų78.169%0.69138%0.383SS*.  trans-67.4141.8169.5-71.5164.1000110.1R184 I200L182-R184 PolarHBondContact O-N 2.91Å; L182-I200 VanDerWaalsContact O-CD1 3.28Å; L182-I200 WeakPolarHBondContact O-CD1 3.24Å
183P90.9Very high92.3Very high77 Ų7781.2 Ų81.250%0.540%0.4SS..SBendtrans-70.6-17.4-178.528.5-36.1000113.9F199 I200 P203P183-F199 WeakPolarHBondContact O-CA 3.37Å; P183-I200 PolarHBondContact O-N 3.47Å; P183-I200 VanDerWaalsContact O-N 3.14Å; P183-P203 HydrophobicContact CB-CB 4.38Å; P183-P203 HydrophobicContact CB-CG 3.86Å
184R93.6Very high92.2Very high135 Ų13586.4 Ų86.451%0.50942%0.424SS..EExtended strand (participates in β ladder)trans-124.1125-175.2176.9-175174.7-175.25.3109.9L182 D197 C198L182-R184 PolarHBondContact O-N 2.91Å; R184-D197 IonicContact CZ-OD1 3.48Å; R184-D197 IonicContact CZ-OD2 3.18Å; R184-D197 IonicContact NE-OD1 3.57Å; R184-D197 PolarHBondContact NE-OD1 3.36Å; R184-D197 IonicContact NE-OD2 3.49Å; R184-D197 IonicContact NH2-OD1 2.87Å; R184-D197 PolarHBondContact NH2-OD1 3.16Å; R184-D197 IonicContact NH2-OD2 2.66Å; R184-D197 PolarHBondContact NH2-OD2 2.92Å; R184-C198 CarbonylContact C-O 3.02Å; R184-C198 WeakPolarHBondContact CA-O 3.35Å
185Y94.2Very high92.3Very high59 Ų5986.2 Ų86.223%0.23143%0.429CS..EExtended strand (participates in β ladder)trans-111.5123.4171.8-179.9-96000109.7K68 A69 C187 C198K68-Y185 WeakPolarHBondContact CD-OH 3.41Å; K68-Y185 WeakPolarHBondContact CG-OH 3.4Å; K68-Y185 PolarHBondContact O-OH 3.42Å; A69-Y185 HydrophobicContact CB-CD1 4Å; A69-Y185 HydrophobicContact CB-CD2 3.91Å; A69-Y185 HydrophobicContact CB-CE1 3.91Å; A69-Y185 HydrophobicContact CB-CE2 3.81Å; A69-Y185 HydrophobicContact CB-CG 4Å; Y185-C187 HydrophobicContact CD1-CB 4.02Å; Y185-C187 HydrophobicContact CE1-CB 3.82Å; Y185-C198 PolarHBondContact N-O 3.2Å; Y185-C198 PolarHBondContact O-N 3.39Å
186V95.6Very high92.4Very high72 Ų7277 Ų7744%0.43639%0.393SS..EExtended strand (participates in β ladder)trans-91.2111.8177.8-175.60000109.1Q195V186-Q195 HydrophobicContact CG1-CB 4.28Å
187C96.2Very high92.7Very high0 Ų075 Ų750%038%0.382CS..EExtended strand (participates in β ladder)trans-101.1134.1-175-176.10000112.5C65 Y185 Q195 V196C65-C187 WeakPolarHBondContact CA-SG 3.35Å; C65-C187 HydrophobicContact CB-CB 3.69Å; C65-C187 WeakPolarHBondContact CB-SG 3.49Å; C65-C187 WeakPolarHBondContact SG-CB 3.22Å; C65-C187 CovalentContact SG-SG 2.03Å; C65-C187 PolarHBondContact SG-SG 2.78Å; Y185-C187 HydrophobicContact CD1-CB 4.02Å; Y185-C187 HydrophobicContact CE1-CB 3.82Å; C187-Q195 WeakPolarHBondContact O-CA 3.32Å; C187-V196 HydrophobicContact CB-CG2 3.85Å; C187-V196 PolarHBondContact N-O 3.47Å; C187-V196 PolarHBondContact O-N 2.97Å
188K95.2Very high93Very high148 Ų14873.6 Ų73.664%0.64338%0.377SS*.  trans-134.1104.5165.6-168.1180179.2-177.50108.6K68 Q195K68-K188 PolarHBondContact NZ-O 3.4Å; K188-Q195 HydrophobicContact CB-CG 4.23Å; K188-Q195 HydrophobicContact CD-CG 4.21Å; K188-Q195 HydrophobicContact CG-CG 4.35Å
189R94Very high93.3Very high99 Ų9977.2 Ų77.237%0.37439%0.386SS..  trans-164.6143.9177.9-166172.8-172.8-179.41.4109V64 D67 K68 C192V64-R189 HydrophobicContact CG2-CB 4.41Å; V64-R189 PolarHBondContact O-NH1 3.35Å; V64-R189 VanDerWaalsContact O-NH1 3.14Å; D67-R189 IonicContact OD2-CZ 2.66Å; D67-R189 IonicContact OD2-NH1 3.35Å; D67-R189 PolarHBondContact OD2-NH1 3.46Å; D67-R189 IonicContact OD2-NH2 2.61Å; D67-R189 PolarHBondContact OD2-NH2 3.34Å; K68-R189 HydrophobicContact CD-CB 4.38Å; R189-C192 WeakPolarHBondContact O-CB 3.4Å; R189-C192 PolarHBondContact O-N 3.38Å; R189-C192 PolarHBondContact O-SG 3.43Å
190D94.2Very high93.7Very high141 Ų14172.6 Ų72.675%0.75437%0.366SS*.THydrogen-bonded Turntrans-64.9138.5173.9-52.7-68000110.4V64V64-D190 WeakPolarHBondContact CG2-O 3.38Å
191P95.6Very high93.9Very high56 Ų5669.8 Ų69.836%0.36435%0.347SS..THydrogen-bonded Turncis-95.92114.538.7-37.9000115.3Q58Q58-P191 WeakPolarHBondContact CG-O 3.29Å
192C95.4Very high94.1Very high13 Ų1373.9 Ų73.99%0.08836%0.361CS..  trans-67.6133.6-177-55.50000112.3C61 C65 R189 H194 V196C61-C192 VanDerWaalsContact CA-SG 3.53Å; C61-C192 HydrophobicContact CB-CB 4.11Å; C61-C192 WeakPolarHBondContact CB-SG 2.97Å; C61-C192 WeakPolarHBondContact SG-CB 3.04Å; C61-C192 CovalentContact SG-SG 2.03Å; C61-C192 PolarHBondContact SG-SG 2.84Å; C65-C192 PolarHBondContact SG-SG 3.33Å; R189-C192 WeakPolarHBondContact O-CB 3.4Å; R189-C192 PolarHBondContact O-N 3.38Å; R189-C192 PolarHBondContact O-SG 3.43Å; C192-H194 VanDerWaalsContact C-N 3.33Å; C192-H194 PolarHBondContact O-N 2.97Å; C192-V196 HydrophobicContact CB-CG2 4.45Å
193P92.9Very high94.3Very high83 Ų8368.8 Ų68.854%0.53934%0.336SS..SBendtrans-72.3-24.4-170.429-36.6000114.2
194H92.7Very high94.3Very high118 Ų11870.2 Ų70.255%0.54634%0.343SS..SBendtrans-155.2-170.4178.65062.3000108.8C192 V196C192-H194 VanDerWaalsContact C-N 3.33Å; C192-H194 PolarHBondContact O-N 2.97Å; H194-V196 PolarHBondContact O-N 2.94Å
195Q95.1Very high94.2Very high132 Ų13266.8 Ų66.862%0.61733%0.333SS*.  trans-64.4124.4167.4-68-177.39500109V186 C187 K188V186-Q195 HydrophobicContact CG1-CB 4.28Å; C187-Q195 WeakPolarHBondContact O-CA 3.32Å; K188-Q195 HydrophobicContact CB-CG 4.23Å; K188-Q195 HydrophobicContact CD-CG 4.21Å; K188-Q195 HydrophobicContact CG-CG 4.35Å
196V96.3Very high94.1Very high2 Ų264.2 Ų64.21%0.01232%0.323CS..EExtended strand (participates in β ladder)trans-116.2143.9178.9-62.60000110C187 C192 H194C187-V196 HydrophobicContact CB-CG2 3.85Å; C187-V196 PolarHBondContact N-O 3.47Å; C187-V196 PolarHBondContact O-N 2.97Å; C192-V196 HydrophobicContact CB-CG2 4.45Å; H194-V196 PolarHBondContact O-N 2.94Å
197D96.3Very high94Very high42 Ų4261.2 Ų61.223%0.22531%0.305CS..EExtended strand (participates in β ladder)trans-87.7122.9172.8-69.3-42.8000109.8C54 N55 R184 F199C54-D197 CarbonylContact C-O 3.39Å; C54-D197 WeakPolarHBondContact CA-O 3.45Å; N55-D197 PolarHBondContact N-O 3.06Å; R184-D197 IonicContact CZ-OD1 3.48Å; R184-D197 IonicContact CZ-OD2 3.18Å; R184-D197 IonicContact NE-OD1 3.57Å; R184-D197 PolarHBondContact NE-OD1 3.36Å; R184-D197 IonicContact NE-OD2 3.49Å; R184-D197 IonicContact NH2-OD1 2.87Å; R184-D197 PolarHBondContact NH2-OD1 3.16Å; R184-D197 IonicContact NH2-OD2 2.66Å; R184-D197 PolarHBondContact NH2-OD2 2.92Å; D197-F199 HydrophobicContact CB-CE2 4.42Å; D197-F199 HydrophobicContact CB-CZ 4.33Å
198C96.2Very high93.8Very high0 Ų066.7 Ų66.70%033%0.334CS..EExtended strand (participates in β ladder)trans-111.5140.1173-54.40000110.4F52 V53 C54 R184 Y185F52-C198 HydrophobicContact CE1-CB 3.79Å; F52-C198 HydrophobicContact CE2-CB 3.99Å; F52-C198 HydrophobicContact CZ-CB 3.41Å; F52-C198 VanDerWaalsContact CZ-CB 3.41Å; V53-C198 CarbonylContact O-C 3.55Å; V53-C198 WeakPolarHBondContact O-CA 3.23Å; C54-C198 HydrophobicContact CB-CB 4.07Å; C54-C198 WeakPolarHBondContact CB-SG 3.14Å; C54-C198 WeakPolarHBondContact SG-CB 3.5Å; C54-C198 CovalentContact SG-SG 2.04Å; C54-C198 PolarHBondContact SG-SG 3.44Å; R184-C198 CarbonylContact C-O 3.02Å; R184-C198 WeakPolarHBondContact CA-O 3.35Å; Y185-C198 PolarHBondContact N-O 3.2Å; Y185-C198 PolarHBondContact O-N 3.39Å
199F95.5Very high93.6Very high101 Ų10162.3 Ų62.344%0.44332%0.315SS..EExtended strand (participates in β ladder)trans-108.4134.1-177.3-59.7-80.8000109.8V53 P183 D197V53-F199 PolarHBondContact N-O 2.92Å; V53-F199 PolarHBondContact O-N 2.98Å; P183-F199 WeakPolarHBondContact O-CA 3.37Å; D197-F199 HydrophobicContact CB-CE2 4.42Å; D197-F199 HydrophobicContact CB-CZ 4.33Å
200I93.6Very high93.5Very high21 Ų2157.8 Ų57.811%0.10830%0.298CS..  trans-97.1129.3-176.3-67.1157.7000108.7F52 F70 L182 P183 P203F52-I200 HydrophobicContact CD2-CG1 4.09Å; F52-I200 HydrophobicContact CE2-CG1 3.93Å; F70-I200 HydrophobicContact CE2-CD1 4.26Å; F70-I200 HydrophobicContact CE2-CG1 4Å; F70-I200 HydrophobicContact CE2-CG2 4.46Å; F70-I200 HydrophobicContact CZ-CD1 3.72Å; F70-I200 HydrophobicContact CZ-CG1 3.88Å; F70-I200 HydrophobicContact CZ-CG2 4.07Å; L182-I200 VanDerWaalsContact O-CD1 3.28Å; L182-I200 WeakPolarHBondContact O-CD1 3.24Å; P183-I200 PolarHBondContact O-N 3.47Å; P183-I200 VanDerWaalsContact O-N 3.14Å; I200-P203 WeakPolarHBondContact O-CD 3.42Å
201S92Very high93.4Very high15 Ų1555.1 Ų55.111%0.10528%0.283CS..SBendtrans-61.6136.3174.1169.80000111.9D47 K206D47-S201 PolarHBondContact OD1-OG 3.25Å; D47-S201 VanDerWaalsContact OD1-OG 3.06Å; S201-K206 WeakPolarHBondContact O-CD 3.44Å; S201-K206 WeakPolarHBondContact O-CE 3.21Å; S201-K206 PolarHBondContact O-NZ 3.02Å
202R91.4Very high93.2Very high106 Ų10656.5 Ų56.540%0.428%0.283SS..SBendtrans48.551.2171.8-59.3163.2-175.5-90.93.4114.9D47 T204 E205 K206D47-R202 IonicContact OD1-NE 3.5Å; D47-R202 IonicContact OD2-CZ 3.15Å; D47-R202 IonicContact OD2-NE 2.74Å; D47-R202 PolarHBondContact OD2-NE 3.19Å; D47-R202 IonicContact OD2-NH2 2.75Å; D47-R202 PolarHBondContact OD2-NH2 2.92Å; R202-T204 VanDerWaalsContact C-N 3.34Å; R202-T204 PolarHBondContact O-N 3.1Å; R202-E205 HydrophobicContact CB-CB 4.06Å; R202-E205 VanDerWaalsContact CD-OE2 3.28Å; R202-E205 WeakPolarHBondContact CD-OE2 3.4Å; R202-E205 WeakPolarHBondContact CG-OE2 3.46Å; R202-E205 IonicContact CZ-OE2 3.39Å; R202-E205 IonicContact NH1-OE2 2.71Å; R202-E205 PolarHBondContact NH1-OE2 3.3Å; R202-E205 PolarHBondContact O-N 2.9Å; R202-K206 WeakPolarHBondContact O-CB 3.34Å; R202-K206 WeakPolarHBondContact O-CG 3.48Å; R202-K206 PolarHBondContact O-N 2.84Å
203P92.8Very high92.9Very high25 Ų2556.1 Ų56.116%0.16228%0.28CS..Hα-helixtrans-68-33.4-170.627.9-32.1000112.3M181 P183 I200 S207M181-P203 HydrophobicContact CB-CB 4.32Å; P183-P203 HydrophobicContact CB-CB 4.38Å; P183-P203 HydrophobicContact CB-CG 3.86Å; I200-P203 WeakPolarHBondContact O-CD 3.42Å; P203-S207 VanDerWaalsContact O-CB 3.28Å; P203-S207 WeakPolarHBondContact O-CB 3.22Å; P203-S207 PolarHBondContact O-N 3.15Å; P203-S207 PolarHBondContact O-OG 2.69Å
204T92.3Very high92.9Very high107 Ų10753.5 Ų53.566%0.65626%0.261SS*.Hα-helixtrans-68.6-48.3175.746.10000112.2R202 S207 I208R202-T204 VanDerWaalsContact C-N 3.34Å; R202-T204 PolarHBondContact O-N 3.1Å; T204-S207 WeakPolarHBondContact O-CB 3.27Å; T204-S207 PolarHBondContact O-N 2.63Å; T204-I208 WeakPolarHBondContact O-CG1 3.47Å; T204-I208 PolarHBondContact O-N 2.87Å
205E91.6Very high92.9Very high63 Ų6351.3 Ų51.329%0.29426%0.256SS..Hα-helixtrans-58.9-51.3176.9-169.3173.4-169.300110.7V44 R202 S207 I208 F209V44-E205 HydrophobicContact CG1-CG 3.94Å; V44-E205 HydrophobicContact CG2-CG 4.26Å; R202-E205 HydrophobicContact CB-CB 4.06Å; R202-E205 VanDerWaalsContact CD-OE2 3.28Å; R202-E205 WeakPolarHBondContact CD-OE2 3.4Å; R202-E205 WeakPolarHBondContact CG-OE2 3.46Å; R202-E205 IonicContact CZ-OE2 3.39Å; R202-E205 IonicContact NH1-OE2 2.71Å; R202-E205 PolarHBondContact NH1-OE2 3.3Å; R202-E205 PolarHBondContact O-N 2.9Å; E205-S207 VanDerWaalsContact C-N 3.29Å; E205-S207 PolarHBondContact O-N 2.93Å; E205-I208 PolarHBondContact O-N 3.26Å; E205-I208 VanDerWaalsContact O-N 3.13Å; E205-F209 HydrophobicContact CG-CD2 4.39Å; E205-F209 HydrophobicContact CG-CE2 4.11Å; E205-F209 VanDerWaalsContact O-CD2 3.31Å; E205-F209 WeakPolarHBondContact O-CD2 3.31Å; E205-F209 PolarHBondContact O-N 3.24Å
206K91.8Very high92.7Very high4 Ų446 Ų462%0.01723%0.231CC..Hα-helixtrans-57.8-40.6175.7-70.8170.8-176.7156.10111.6V44 W45 D47 M181 S201 R202 F209 I210V44-K206 HydrophobicContact CG1-CG 3.66Å; V44-K206 WeakPolarHBondContact O-CE 3.36Å; V44-K206 PolarHBondContact O-NZ 3.4Å; W45-K206 HydrophobicContact CD2-CG 4.39Å; W45-K206 HydrophobicContact CH2-CB 4.47Å; W45-K206 HydrophobicContact CH2-CG 4.32Å; W45-K206 HydrophobicContact CZ2-CB 3.89Å; W45-K206 HydrophobicContact CZ2-CG 3.75Å; D47-K206 IonicContact OD1-NZ 3Å; D47-K206 PolarHBondContact OD1-NZ 3.42Å; M181-K206 HydrophobicContact CE-CB 3.91Å; M181-K206 HydrophobicContact CE-CD 3.91Å; M181-K206 HydrophobicContact CE-CG 4.38Å; S201-K206 WeakPolarHBondContact O-CD 3.44Å; S201-K206 WeakPolarHBondContact O-CE 3.21Å; S201-K206 PolarHBondContact O-NZ 3.02Å; R202-K206 WeakPolarHBondContact O-CB 3.34Å; R202-K206 WeakPolarHBondContact O-CG 3.48Å; R202-K206 PolarHBondContact O-N 2.84Å; K206-F209 PolarHBondContact O-N 3.48Å; K206-I210 WeakPolarHBondContact O-CD1 2.95Å; K206-I210 WeakPolarHBondContact O-CG1 3.36Å; K206-I210 PolarHBondContact O-N 3.49Å
207S92.5Very high92.5Very high9 Ų945.9 Ų45.96%0.06323%0.231CC..Hα-helixtrans-64.4-38.2176.5-60.70000113.5S180 M181 P203 T204 E205 I210 I211S180-S207 PolarHBondContact OG-OG 3.23Å; M181-S207 PolarHBondContact N-OG 3.1Å; P203-S207 VanDerWaalsContact O-CB 3.28Å; P203-S207 WeakPolarHBondContact O-CB 3.22Å; P203-S207 PolarHBondContact O-N 3.15Å; P203-S207 PolarHBondContact O-OG 2.69Å; T204-S207 WeakPolarHBondContact O-CB 3.27Å; T204-S207 PolarHBondContact O-N 2.63Å; E205-S207 VanDerWaalsContact C-N 3.29Å; E205-S207 PolarHBondContact O-N 2.93Å; S207-I210 PolarHBondContact O-N 3.33Å; S207-I211 WeakPolarHBondContact O-CB 3.28Å; S207-I211 VanDerWaalsContact O-CG1 3.28Å; S207-I211 WeakPolarHBondContact O-CG1 3.03Å; S207-I211 PolarHBondContact O-N 2.74Å
208I92.3Very high92.4Very high116 Ų11647.6 Ų47.660%0.59524%0.24SC*.Hα-helixtrans-61.2-47.4176.3-68.6163.1000110.3T204 E205 I211 F212T204-I208 WeakPolarHBondContact O-CG1 3.47Å; T204-I208 PolarHBondContact O-N 2.87Å; E205-I208 PolarHBondContact O-N 3.26Å; E205-I208 VanDerWaalsContact O-N 3.13Å; I208-I211 PolarHBondContact O-N 3.32Å; I208-F212 WeakPolarHBondContact O-CB 3.35Å; I208-F212 PolarHBondContact O-N 3.25Å
209F91.4Very high92.2Very high56 Ų5650.1 Ų50.125%0.24625%0.253CS..Hα-helixtrans-65.4-38176.7-77-74.1000112.8I36 A40 V44 W45 W78 E205 K206 F212 M213I36-F209 HydrophobicContact CG2-CD1 4.16Å; A40-F209 HydrophobicContact CB-CD1 3.96Å; A40-F209 HydrophobicContact CB-CE1 3.71Å; A40-F209 HydrophobicContact CB-CE2 4.37Å; A40-F209 HydrophobicContact CB-CG 4.39Å; A40-F209 HydrophobicContact CB-CZ 3.94Å; V44-F209 HydrophobicContact CG1-CD2 4.29Å; V44-F209 HydrophobicContact CG1-CE2 4.49Å; V44-F209 HydrophobicContact CG2-CD2 4.24Å; V44-F209 HydrophobicContact CG2-CE2 3.69Å; V44-F209 HydrophobicContact CG2-CZ 4.31Å; W45-F209 HydrophobicContact CH2-CB 3.63Å; W45-F209 HydrophobicContact CH2-CD2 4.46Å; W45-F209 HydrophobicContact CH2-CG 4.25Å; W45-F209 HydrophobicContact CZ3-CB 4.13Å; W45-F209 HydrophobicContact CZ3-CD2 4.37Å; W45-F209 HydrophobicContact CZ3-CG 4.28Å; W78-F209 HydrophobicContact CH2-CB 4.21Å; E205-F209 HydrophobicContact CG-CD2 4.39Å; E205-F209 HydrophobicContact CG-CE2 4.11Å; E205-F209 VanDerWaalsContact O-CD2 3.31Å; E205-F209 WeakPolarHBondContact O-CD2 3.31Å; E205-F209 PolarHBondContact O-N 3.24Å; K206-F209 PolarHBondContact O-N 3.48Å; F209-F212 PolarHBondContact O-N 3.11Å; F209-M213 WeakPolarHBondContact O-CB 3.49Å; F209-M213 VanDerWaalsContact O-CG 3.32Å; F209-M213 WeakPolarHBondContact O-CG 3.29Å; F209-M213 PolarHBondContact O-N 3.4Å
210I91.7Very high92Very high4 Ų445.7 Ų45.72%0.02123%0.234CC..Hα-helixtrans-60.4-48.5174-70.4160.1000111H74 W78 M181 K206 S207 F212 M213 L214H74-I210 VanDerWaalsContact NE2-CD1 3.3Å; H74-I210 WeakPolarHBondContact NE2-CD1 3.26Å; W78-I210 HydrophobicContact CH2-CG1 4.05Å; W78-I210 HydrophobicContact CZ2-CB 4.43Å; W78-I210 HydrophobicContact CZ2-CG1 3.83Å; M181-I210 HydrophobicContact CE-CD1 4.26Å; M181-I210 HydrophobicContact CG-CD1 3.58Å; K206-I210 WeakPolarHBondContact O-CD1 2.95Å; K206-I210 WeakPolarHBondContact O-CG1 3.36Å; K206-I210 PolarHBondContact O-N 3.49Å; S207-I210 PolarHBondContact O-N 3.33Å; I210-F212 PolarHBondContact O-N 3.4Å; I210-M213 PolarHBondContact O-N 3.18Å; I210-L214 VanDerWaalsContact O-CB 3.3Å; I210-L214 WeakPolarHBondContact O-CB 3.39Å; I210-L214 PolarHBondContact O-N 2.96Å
211I92.3Very high92Very high85 Ų8545.9 Ų45.944%0.43624%0.235SC..Hα-helixtrans-63.1-42.6178.3-68.1164.9000110.5S207 I208 L214 V215S207-I211 WeakPolarHBondContact O-CB 3.28Å; S207-I211 VanDerWaalsContact O-CG1 3.28Å; S207-I211 WeakPolarHBondContact O-CG1 3.03Å; S207-I211 PolarHBondContact O-N 2.74Å; I208-I211 PolarHBondContact O-N 3.32Å; I211-L214 PolarHBondContact O-N 3.09Å; I211-V215 HydrophobicContact CG2-CG2 4.44Å; I211-V215 WeakPolarHBondContact O-CG2 3.46Å; I211-V215 PolarHBondContact O-N 3.21Å
212F91Very high92Very high84 Ų8449.8 Ų49.837%0.36825%0.254SS..Hα-helixtrans-61.4-49.3176.9-173.2-84.2000111.7I36 I208 F209 I210 L214 V215 M216I36-F212 HydrophobicContact CD1-CD1 3.18Å; I36-F212 HydrophobicContact CD1-CE1 3.25Å; I36-F212 HydrophobicContact CD1-CG 4.22Å; I36-F212 HydrophobicContact CD1-CZ 4.33Å; I208-F212 WeakPolarHBondContact O-CB 3.35Å; I208-F212 PolarHBondContact O-N 3.25Å; F209-F212 PolarHBondContact O-N 3.11Å; I210-F212 PolarHBondContact O-N 3.4Å; F212-L214 VanDerWaalsContact C-N 3.3Å; F212-L214 PolarHBondContact O-N 3.3Å; F212-V215 PolarHBondContact O-N 3.5Å; F212-M216 HydrophobicContact CD1-CG 3.72Å; F212-M216 HydrophobicContact CE1-CE 3.9Å; F212-M216 HydrophobicContact CE1-CG 3.39Å; F212-M216 HydrophobicContact CE1-SD 4.04Å; F212-M216 HydrophobicContact CG-CG 4.46Å; F212-M216 HydrophobicContact CZ-CE 3.93Å; F212-M216 HydrophobicContact CZ-CG 3.87Å; F212-M216 HydrophobicContact CZ-SD 3.96Å; F212-M216 WeakPolarHBondContact O-CB 3.05Å; F212-M216 WeakPolarHBondContact O-CG 3.41Å; F212-M216 PolarHBondContact O-N 2.97Å
213M90.3Very high91.9Very high6 Ų646 Ų463%0.0324%0.241CC..Hα-helixtrans-62.8-36.5178.8-73.5-68.8-8200112.3R33 I36 W78 F209 I210 G217R33-M213 HydrophobicContact CG-CE 4.32Å; R33-M213 HydrophobicContact CG-SD 4.5Å; I36-M213 HydrophobicContact CB-SD 4.28Å; I36-M213 HydrophobicContact CD1-SD 4.08Å; I36-M213 HydrophobicContact CG2-CG 4.21Å; I36-M213 HydrophobicContact CG2-SD 3.94Å; W78-M213 HydrophobicContact CB-CE 3.75Å; W78-M213 HydrophobicContact CD2-CB 4.5Å; W78-M213 HydrophobicContact CD2-CE 3.67Å; W78-M213 HydrophobicContact CD2-CG 4.1Å; W78-M213 HydrophobicContact CE3-CE 3.96Å; W78-M213 HydrophobicContact CE3-CG 4.11Å; W78-M213 HydrophobicContact CG-CE 3.55Å; W78-M213 HydrophobicContact CH2-CB 4.47Å; W78-M213 HydrophobicContact CH2-CG 4.04Å; W78-M213 HydrophobicContact CZ2-CB 4.02Å; W78-M213 HydrophobicContact CZ2-CG 4.03Å; W78-M213 HydrophobicContact CZ3-CG 4.08Å; F209-M213 WeakPolarHBondContact O-CB 3.49Å; F209-M213 VanDerWaalsContact O-CG 3.32Å; F209-M213 WeakPolarHBondContact O-CG 3.29Å; F209-M213 PolarHBondContact O-N 3.4Å; I210-M213 PolarHBondContact O-N 3.18Å; M213-G217 PolarHBondContact O-N 3.39Å
214L92.3Very high91.7Very high28 Ų2844.9 Ų44.915%0.14723%0.234CC..Hα-helixtrans-62.9-50.5172.6-178.977.3000111.8L170 F179 I210 I211 F212 M216 G217 L218L170-L214 HydrophobicContact CD2-CD1 3.79Å; F179-L214 HydrophobicContact CD1-CD2 3.65Å; F179-L214 HydrophobicContact CE1-CD2 3.86Å; I210-L214 VanDerWaalsContact O-CB 3.3Å; I210-L214 WeakPolarHBondContact O-CB 3.39Å; I210-L214 PolarHBondContact O-N 2.96Å; I211-L214 PolarHBondContact O-N 3.09Å; F212-L214 VanDerWaalsContact C-N 3.3Å; F212-L214 PolarHBondContact O-N 3.3Å; L214-M216 PolarHBondContact O-N 3.25Å; L214-G217 PolarHBondContact O-N 2.88Å; L214-L218 HydrophobicContact CG-CD1 4.19Å; L214-L218 WeakPolarHBondContact O-CG 3.35Å; L214-L218 PolarHBondContact O-N 2.8Å
215V93.1Very high91.6Very high71 Ų7143.6 Ų43.643%0.4322%0.223SC..Hα-helixtrans-60.9-44.4179.1169.10000110.9I211 F212 G217 L218 I219I211-V215 HydrophobicContact CG2-CG2 4.44Å; I211-V215 WeakPolarHBondContact O-CG2 3.46Å; I211-V215 PolarHBondContact O-N 3.21Å; F212-V215 PolarHBondContact O-N 3.5Å; V215-G217 PolarHBondContact O-N 3.33Å; V215-L218 PolarHBondContact O-N 3.21Å; V215-I219 HydrophobicContact CG1-CD1 3.84Å; V215-I219 VanDerWaalsContact O-CG1 3.3Å; V215-I219 WeakPolarHBondContact O-CG1 3.1Å; V215-I219 PolarHBondContact O-N 3Å
216M90.9Very high91.4Very high20 Ų2045.6 Ų45.610%0.09924%0.235CC..Hα-helixtrans-64.1-39.4177.5-66.2-69-90.900112.2L29 F32 F212 L214 S220L29-M216 HydrophobicContact CD2-CB 4.23Å; L29-M216 HydrophobicContact CD2-CE 3.49Å; L29-M216 VanDerWaalsContact CD2-CE 3.49Å; L29-M216 HydrophobicContact CD2-CG 4.5Å; L29-M216 HydrophobicContact CD2-SD 3.51Å; L29-M216 VanDerWaalsContact CD2-SD 3.51Å; F32-M216 HydrophobicContact CB-CE 3.38Å; F32-M216 HydrophobicContact CD2-CE 3.63Å; F32-M216 HydrophobicContact CG-CE 3.68Å; F212-M216 HydrophobicContact CD1-CG 3.72Å; F212-M216 HydrophobicContact CE1-CE 3.9Å; F212-M216 HydrophobicContact CE1-CG 3.39Å; F212-M216 HydrophobicContact CE1-SD 4.04Å; F212-M216 HydrophobicContact CG-CG 4.46Å; F212-M216 HydrophobicContact CZ-CE 3.93Å; F212-M216 HydrophobicContact CZ-CG 3.87Å; F212-M216 HydrophobicContact CZ-SD 3.96Å; F212-M216 WeakPolarHBondContact O-CB 3.05Å; F212-M216 WeakPolarHBondContact O-CG 3.41Å; F212-M216 PolarHBondContact O-N 2.97Å; L214-M216 PolarHBondContact O-N 3.25Å; M216-S220 WeakPolarHBondContact O-CB 3.27Å; M216-S220 PolarHBondContact O-N 3.38Å
217G92.3Very high91.1Very high0 Ų045.7 Ų45.70%024%0.235CC..Hα-helixtrans-66.1-40173.600000112.9M213 L214 V215 S220 L221M213-G217 PolarHBondContact O-N 3.39Å; L214-G217 PolarHBondContact O-N 2.88Å; V215-G217 PolarHBondContact O-N 3.33Å; G217-S220 WeakPolarHBondContact O-CB 3.46Å; G217-S220 PolarHBondContact O-N 3Å; G217-L221 WeakPolarHBondContact O-CB 3.3Å; G217-L221 PolarHBondContact O-N 3.29Å
218L93.8Very high90.8Very high79 Ų7947.3 Ų47.341%0.41424%0.243SC..Hα-helixtrans-63.3-44174.5-73169.6000111.9L170 L214 V215 L221 I222L170-L218 HydrophobicContact CD1-CD2 4.27Å; L170-L218 HydrophobicContact CD2-CG 4.48Å; L214-L218 HydrophobicContact CG-CD1 4.19Å; L214-L218 WeakPolarHBondContact O-CG 3.35Å; L214-L218 PolarHBondContact O-N 2.8Å; V215-L218 PolarHBondContact O-N 3.21Å; L218-L221 PolarHBondContact O-N 3.4Å; L218-I222 WeakPolarHBondContact O-CB 3.49Å; L218-I222 VanDerWaalsContact O-CG1 3.27Å; L218-I222 WeakPolarHBondContact O-CG1 3.18Å; L218-I222 PolarHBondContact O-N 3.44Å
219I92.4Very high90.5Very high53 Ų5348.3 Ų48.327%0.27224%0.243SC..Hα-helixtrans-62.5-45.1174.8-64.2165000110.2W25 L29 V215 L221 I222 L223W25-I219 HydrophobicContact CE3-CG2 3.83Å; W25-I219 HydrophobicContact CZ3-CD1 4.4Å; W25-I219 HydrophobicContact CZ3-CG2 3.84Å; L29-I219 HydrophobicContact CD1-CG2 4.18Å; L29-I219 HydrophobicContact CD2-CG2 4.38Å; V215-I219 HydrophobicContact CG1-CD1 3.84Å; V215-I219 VanDerWaalsContact O-CG1 3.3Å; V215-I219 WeakPolarHBondContact O-CG1 3.1Å; V215-I219 PolarHBondContact O-N 3Å; I219-L221 PolarHBondContact O-N 3.33Å; I219-I222 PolarHBondContact O-N 2.9Å; I219-L223 HydrophobicContact CG2-CD1 3.85Å; I219-L223 HydrophobicContact CG2-CG 4.41Å; I219-L223 WeakPolarHBondContact O-CB 3.3Å; I219-L223 VanDerWaalsContact O-CG 3.29Å; I219-L223 WeakPolarHBondContact O-CG 3.34Å; I219-L223 PolarHBondContact O-N 3.2Å
220S90.2Very high90.1Very high7 Ų749.9 Ų49.95%0.04925%0.251CS..Hα-helixtrans-55.5-49.1173.9-178.10000111.7E166 M216 G217 L223 N224E166-S220 PolarHBondContact OE2-OG 3.41Å; M216-S220 WeakPolarHBondContact O-CB 3.27Å; M216-S220 PolarHBondContact O-N 3.38Å; G217-S220 WeakPolarHBondContact O-CB 3.46Å; G217-S220 PolarHBondContact O-N 3Å; S220-L223 PolarHBondContact O-N 3.38Å; S220-N224 PolarHBondContact O-N 3Å; S220-N224 PolarHBondContact O-ND2 3.49Å; S220-N224 PolarHBondContact OG-ND2 2.91Å
221L92.9Very high89.5Confident26 Ų2650.2 Ų50.214%0.13625%0.253CS..Hα-helixtrans-61.8-46.6179.5-179.960.5000111.5S163 E166 A167 L170 G217 L218 I219 L223 N224 L225S163-L221 WeakPolarHBondContact OG-CD1 3.34Å; E166-L221 HydrophobicContact CG-CB 4.04Å; A167-L221 HydrophobicContact CB-CD1 4.16Å; A167-L221 HydrophobicContact CB-CD2 4.06Å; L170-L221 HydrophobicContact CD1-CB 4.21Å; L170-L221 HydrophobicContact CD1-CD2 3.92Å; G217-L221 WeakPolarHBondContact O-CB 3.3Å; G217-L221 PolarHBondContact O-N 3.29Å; L218-L221 PolarHBondContact O-N 3.4Å; I219-L221 PolarHBondContact O-N 3.33Å; L221-L223 VanDerWaalsContact C-N 3.34Å; L221-L223 PolarHBondContact O-N 3.32Å; L221-N224 PolarHBondContact O-N 2.98Å; L221-L225 HydrophobicContact CD1-CD1 4.09Å; L221-L225 HydrophobicContact CD1-CG 4.2Å; L221-L225 HydrophobicContact CG-CD1 3.98Å; L221-L225 HydrophobicContact CG-CG 4.49Å; L221-L225 WeakPolarHBondContact O-CB 3.47Å; L221-L225 VanDerWaalsContact O-CG 3.27Å; L221-L225 WeakPolarHBondContact O-CG 3.1Å; L221-L225 PolarHBondContact O-N 3.44Å
222I92Very high88.9Confident97 Ų9749.2 Ų49.250%0.49725%0.253SS..Hα-helixtrans-59.6-44.2177.5-70.2165.1000110.8L218 I219 L225 L226L218-I222 WeakPolarHBondContact O-CB 3.49Å; L218-I222 VanDerWaalsContact O-CG1 3.27Å; L218-I222 WeakPolarHBondContact O-CG1 3.18Å; L218-I222 PolarHBondContact O-N 3.44Å; I219-I222 PolarHBondContact O-N 2.9Å; I222-L225 PolarHBondContact O-N 3.21Å; I222-L226 HydrophobicContact CG2-CD1 3.82Å; I222-L226 HydrophobicContact CG2-CG 4.22Å; I222-L226 WeakPolarHBondContact O-CB 3.32Å; I222-L226 VanDerWaalsContact O-CG 3.28Å; I222-L226 WeakPolarHBondContact O-CG 3.27Å; I222-L226 PolarHBondContact O-N 2.96Å
223L89.3Confident88.4Confident25 Ų2547.2 Ų47.213%0.13125%0.249CC..Hα-helixtrans-65-44.8178.7-70.3167000112.4W25 L29 I219 S220 L221 L225 L226 E227W25-L223 HydrophobicContact CB-CD1 3.39Å; W25-L223 HydrophobicContact CD2-CD1 4.32Å; W25-L223 HydrophobicContact CE3-CD1 4.4Å; W25-L223 HydrophobicContact CG-CD1 3.95Å; L29-L223 HydrophobicContact CD1-CD1 3.89Å; I219-L223 HydrophobicContact CG2-CD1 3.85Å; I219-L223 HydrophobicContact CG2-CG 4.41Å; I219-L223 WeakPolarHBondContact O-CB 3.3Å; I219-L223 VanDerWaalsContact O-CG 3.29Å; I219-L223 WeakPolarHBondContact O-CG 3.34Å; I219-L223 PolarHBondContact O-N 3.2Å; S220-L223 PolarHBondContact O-N 3.38Å; L221-L223 VanDerWaalsContact C-N 3.34Å; L221-L223 PolarHBondContact O-N 3.32Å; L223-L225 VanDerWaalsContact C-N 3.28Å; L223-L225 PolarHBondContact O-N 3.12Å; L223-L226 PolarHBondContact O-N 2.99Å; L223-E227 WeakPolarHBondContact O-CB 3.39Å; L223-E227 PolarHBondContact O-N 3.39Å
224N88.6Confident87.8Confident2 Ų252.1 Ų52.11%0.01127%0.27CS..Hα-helixtrans-60.6-37.8174.6-74.6-67.2000111.7S220 L221 L228S220-N224 PolarHBondContact O-N 3Å; S220-N224 PolarHBondContact O-ND2 3.49Å; S220-N224 PolarHBondContact OG-ND2 2.91Å; L221-N224 PolarHBondContact O-N 2.98Å; N224-L228 WeakPolarHBondContact O-CB 2.77Å; N224-L228 PolarHBondContact O-N 2.03Å
225L90.1Very high86.9Confident81 Ų8153.4 Ų53.442%0.42428%0.277SS..Hα-helixtrans-72.1-41.4176.9-72.3173.7000112.9S163 L221 I222 L223 E227 L228 F229S163-L225 WeakPolarHBondContact OG-CD2 3.46Å; L221-L225 HydrophobicContact CD1-CD1 4.09Å; L221-L225 HydrophobicContact CD1-CG 4.2Å; L221-L225 HydrophobicContact CG-CD1 3.98Å; L221-L225 HydrophobicContact CG-CG 4.49Å; L221-L225 WeakPolarHBondContact O-CB 3.47Å; L221-L225 VanDerWaalsContact O-CG 3.27Å; L221-L225 WeakPolarHBondContact O-CG 3.1Å; L221-L225 PolarHBondContact O-N 3.44Å; I222-L225 PolarHBondContact O-N 3.21Å; L223-L225 VanDerWaalsContact C-N 3.28Å; L223-L225 PolarHBondContact O-N 3.12Å; L225-E227 VanDerWaalsContact C-N 3.31Å; L225-E227 PolarHBondContact O-N 3.37Å; L225-L228 PolarHBondContact O-N 3.01Å; L225-F229 VanDerWaalsContact O-CB 3.28Å; L225-F229 WeakPolarHBondContact O-CB 3.3Å; L225-F229 PolarHBondContact O-N 3.29Å
226L88.9Confident86Confident104 Ų10454.9 Ų54.955%0.54528%0.282SS..Hα-helixtrans-62.9-39.7174.9-75.1172.8000111.4I222 L223 H230I222-L226 HydrophobicContact CG2-CD1 3.82Å; I222-L226 HydrophobicContact CG2-CG 4.22Å; I222-L226 WeakPolarHBondContact O-CB 3.32Å; I222-L226 VanDerWaalsContact O-CG 3.28Å; I222-L226 WeakPolarHBondContact O-CG 3.27Å; I222-L226 PolarHBondContact O-N 2.96Å; L223-L226 PolarHBondContact O-N 2.99Å; L226-H230 WeakPolarHBondContact O-CB 3.25Å; L226-H230 PolarHBondContact O-N 2.87Å
227E85Confident85.1Confident6 Ų659 Ų593%0.02830%0.303CS..Hα-helixtrans-61.1-52.7171159147.4-131.900111.8S18 Y155 V159 L223 L225 F229 H230 L231S18-E227 WeakPolarHBondContact CB-OE1 3.49Å; S18-E227 PolarHBondContact OG-OE1 3.31Å; S18-E227 PolarHBondContact OG-OE2 3.34Å; Y155-E227 VanDerWaalsContact CE1-OE1 3.26Å; Y155-E227 WeakPolarHBondContact CE1-OE1 3.45Å; Y155-E227 PolarHBondContact OH-OE1 2.99Å; V159-E227 HydrophobicContact CG1-CG 4.29Å; V159-E227 HydrophobicContact CG2-CG 4.49Å; L223-E227 WeakPolarHBondContact O-CB 3.39Å; L223-E227 PolarHBondContact O-N 3.39Å; L225-E227 VanDerWaalsContact C-N 3.31Å; L225-E227 PolarHBondContact O-N 3.37Å; E227-F229 VanDerWaalsContact C-N 3.26Å; E227-F229 PolarHBondContact O-N 3.28Å; E227-H230 PolarHBondContact O-N 2.84Å; E227-H230 VanDerWaalsContact O-N 3.16Å; E227-L231 HydrophobicContact CG-CD1 4Å; E227-L231 WeakPolarHBondContact O-CG 3.45Å; E227-L231 PolarHBondContact O-N 3.27Å
228L85.4Confident84.1Confident43 Ų4360.9 Ų60.923%0.22532%0.317CS..Hα-helixtrans-58.1-40.9178.7-177.161.8000111.4I156 V159 I160 N224 L225 L231 C232I156-L228 HydrophobicContact CG2-CD1 4.27Å; V159-L228 HydrophobicContact CG1-CB 4.09Å; I160-L228 HydrophobicContact CD1-CD1 4.2Å; I160-L228 HydrophobicContact CG1-CD1 3.79Å; I160-L228 HydrophobicContact CG1-CD2 3.86Å; N224-L228 WeakPolarHBondContact O-CB 2.77Å; N224-L228 PolarHBondContact O-N 2.03Å; L225-L228 PolarHBondContact O-N 3.01Å; L228-L231 PolarHBondContact O-N 3.34Å; L228-C232 VanDerWaalsContact O-CB 3.25Å; L228-C232 WeakPolarHBondContact O-CB 3.28Å; L228-C232 PolarHBondContact O-N 3.27Å
229F86.6Confident82.8Confident138 Ų13861.2 Ų61.261%0.60532%0.319SS*.Hα-helixtrans-63.1-48174.9-179.8-101.2000111.9L225 E227 L231 C232 C233L225-F229 VanDerWaalsContact O-CB 3.28Å; L225-F229 WeakPolarHBondContact O-CB 3.3Å; L225-F229 PolarHBondContact O-N 3.29Å; E227-F229 VanDerWaalsContact C-N 3.26Å; E227-F229 PolarHBondContact O-N 3.28Å; F229-L231 VanDerWaalsContact C-N 3.34Å; F229-L231 PolarHBondContact O-N 3.42Å; F229-C232 PolarHBondContact O-N 2.99Å; F229-C233 WeakPolarHBondContact CZ-SG 3.26Å; F229-C233 WeakPolarHBondContact O-CB 3.38Å; F229-C233 PolarHBondContact O-N 3.46Å; F229-C233 PolarHBondContact O-SG 3.11Å; F229-C233 VanDerWaalsContact O-SG 3.36Å
230H82.9Confident81.9Confident89 Ų8964 Ų6441%0.41233%0.334SS..Hα-helixtrans-59.6-42.2176.7172.3-107000112.1L226 E227 K234L226-H230 WeakPolarHBondContact O-CB 3.25Å; L226-H230 PolarHBondContact O-N 2.87Å; E227-H230 PolarHBondContact O-N 2.84Å; E227-H230 VanDerWaalsContact O-N 3.16Å; H230-K234 VanDerWaalsContact O-CB 3.28Å; H230-K234 WeakPolarHBondContact O-CB 3.29Å; H230-K234 PolarHBondContact O-N 2.93Å
231L78.8Confident80.8Confident11 Ų1171.1 Ų71.16%0.05836%0.363CS..Hα-helixtrans-64.4-43.9174.4-67.9171000112.1M152 Y155 I156 E227 L228 F229 K234 N235M152-L231 HydrophobicContact CE-CD2 3.86Å; Y155-L231 HydrophobicContact CD1-CD1 4.04Å; Y155-L231 HydrophobicContact CE1-CD1 3.97Å; I156-L231 HydrophobicContact CG1-CD1 4.23Å; E227-L231 HydrophobicContact CG-CD1 4Å; E227-L231 WeakPolarHBondContact O-CG 3.45Å; E227-L231 PolarHBondContact O-N 3.27Å; L228-L231 PolarHBondContact O-N 3.34Å; F229-L231 VanDerWaalsContact C-N 3.34Å; F229-L231 PolarHBondContact O-N 3.42Å; L231-K234 PolarHBondContact O-N 2.96Å; L231-N235 PolarHBondContact O-N 2.03Å; L231-N235 PolarHBondContact O-ND2 3.38Å
232C80.6Confident79.1Confident63 Ų6376.7 Ų76.743%0.42639%0.387SS..Hα-helixtrans-61.6-51.3178.1-170.40000111.4L228 F229 K234 N235 L236L228-C232 VanDerWaalsContact O-CB 3.25Å; L228-C232 WeakPolarHBondContact O-CB 3.28Å; L228-C232 PolarHBondContact O-N 3.27Å; F229-C232 PolarHBondContact O-N 2.99Å; C232-K234 PolarHBondContact O-N 2.94Å; C232-N235 PolarHBondContact O-N 3.43Å; C232-N235 VanDerWaalsContact O-N 3.13Å; C232-L236 WeakPolarHBondContact O-CD1 3.11Å; C232-L236 PolarHBondContact O-N 3.36Å
233C80.8Confident77.8Confident42 Ų4278 Ų7828%0.28440%0.399SS..Hα-helixtrans-56.8-47.8175.8-72.80000111.9F229 N235 L236 L237F229-C233 WeakPolarHBondContact CZ-SG 3.26Å; F229-C233 WeakPolarHBondContact O-CB 3.38Å; F229-C233 PolarHBondContact O-N 3.46Å; F229-C233 PolarHBondContact O-SG 3.11Å; F229-C233 VanDerWaalsContact O-SG 3.36Å; C233-N235 PolarHBondContact O-N 3.17Å; C233-L236 PolarHBondContact O-N 3.39Å; C233-L237 WeakPolarHBondContact O-CB 3.49Å; C233-L237 WeakPolarHBondContact O-CD1 3.32Å; C233-L237 PolarHBondContact O-N 3.35Å
234K78Confident76.1Confident109 Ų10980.8 Ų80.847%0.47442%0.42SS..Hα-helixtrans-60.2-34.1178.4-168.1172-173.1172.10112.3H230 L231 C232 S238H230-K234 VanDerWaalsContact O-CB 3.28Å; H230-K234 WeakPolarHBondContact O-CB 3.29Å; H230-K234 PolarHBondContact O-N 2.93Å; L231-K234 PolarHBondContact O-N 2.96Å; C232-K234 PolarHBondContact O-N 2.94Å; K234-S238 WeakPolarHBondContact O-CB 3.08Å; K234-S238 PolarHBondContact O-N 3.39Å
235N73Confident74.1Confident55 Ų5585.7 Ų85.729%0.29445%0.45SS..Hα-helixtrans-74.1-47.4174.7-73.3-18.8000112.1L231 C232 C233 S238 N239L231-N235 PolarHBondContact O-N 2.03Å; L231-N235 PolarHBondContact O-ND2 3.38Å; C232-N235 PolarHBondContact O-N 3.43Å; C232-N235 VanDerWaalsContact O-N 3.13Å; C233-N235 PolarHBondContact O-N 3.17Å; N235-S238 PolarHBondContact O-N 3.34Å; N235-S238 VanDerWaalsContact O-N 3.17Å; N235-S238 PolarHBondContact O-OG 2.88Å; N235-N239 PolarHBondContact O-N 2.96Å; N235-N239 VanDerWaalsContact O-N 3.09Å; N235-N239 PolarHBondContact O-ND2 2.92Å
236L73.6Confident71.7Confident103 Ų10387.2 Ų87.254%0.53947%0.465SS..Hα-helixtrans-56.7-52.4176.3-9972000111.9C232 C233 S238 N239 I240C232-L236 WeakPolarHBondContact O-CD1 3.11Å; C232-L236 PolarHBondContact O-N 3.36Å; C233-L236 PolarHBondContact O-N 3.39Å; L236-S238 PolarHBondContact O-N 2.92Å; L236-N239 PolarHBondContact O-N 3.4Å; L236-I240 WeakPolarHBondContact O-CG1 3.36Å; L236-I240 PolarHBondContact O-N 3.09Å
237L72.9Confident69.2Low105 Ų10588.5 Ų88.555%0.5548%0.477SS..Hα-helixtrans-58.3-33.3177.7-85.5140.9000112.4C233 K241C233-L237 WeakPolarHBondContact O-CB 3.49Å; C233-L237 WeakPolarHBondContact O-CD1 3.32Å; C233-L237 PolarHBondContact O-N 3.35Å; L237-K241 WeakPolarHBondContact O-CG 3.42Å; L237-K241 PolarHBondContact O-N 3.33Å
238S69.6Low66.5Low41 Ų4193.3 Ų93.329%0.28751%0.512SS..Hα-helixtrans-74.5-25.7176.181.10000114K234 N235 L236 K242K234-S238 WeakPolarHBondContact O-CB 3.08Å; K234-S238 PolarHBondContact O-N 3.39Å; N235-S238 PolarHBondContact O-N 3.34Å; N235-S238 VanDerWaalsContact O-N 3.17Å; N235-S238 PolarHBondContact O-OG 2.88Å; L236-S238 PolarHBondContact O-N 2.92Å; S238-K242 WeakPolarHBondContact O-CG 3.28Å
239N67.5Low64.1Low85 Ų8596.9 Ų96.946%0.45554%0.537SS..Hα-helixtrans-81.7-40.5175.8-73.6-33.1000111.2N235 L236 K241 K242 V243N235-N239 PolarHBondContact O-N 2.96Å; N235-N239 VanDerWaalsContact O-N 3.09Å; N235-N239 PolarHBondContact O-ND2 2.92Å; L236-N239 PolarHBondContact O-N 3.4Å; N239-K241 VanDerWaalsContact C-N 3.31Å; N239-K241 PolarHBondContact O-N 2.9Å; N239-K242 WeakPolarHBondContact O-CB 3.44Å; N239-K242 PolarHBondContact O-N 3.47Å; N239-K242 PolarHBondContact OD1-NZ 3.2Å; N239-V243 PolarHBondContact O-N 2.92Å
240I72.5Confident61.8Low113 Ų11394 Ų9458%0.57955%0.547SS*.Hα-helixtrans-57.4-45.5174.2-64.2167.7000110.6L236 K242 V243 S244L236-I240 WeakPolarHBondContact O-CG1 3.36Å; L236-I240 PolarHBondContact O-N 3.09Å; I240-K242 PolarHBondContact O-N 3.1Å; I240-V243 PolarHBondContact O-N 3.1Å; I240-V243 VanDerWaalsContact O-N 3.14Å; I240-S244 PolarHBondContact O-N 3.06Å
241K66.9Low59.3Low155 Ų15598.2 Ų98.267%0.67457%0.567SS**Hα-helixtrans-65-16.4176.8-75-172.3176.5-170.30115.4L237 N239 S244L237-K241 WeakPolarHBondContact O-CG 3.42Å; L237-K241 PolarHBondContact O-N 3.33Å; N239-K241 VanDerWaalsContact C-N 3.31Å; N239-K241 PolarHBondContact O-N 2.9Å; K241-S244 PolarHBondContact O-OG 3.2Å
242K58.9Low57Low143 Ų143105.8 Ų105.862%0.62261%0.607SS**Hα-helixtrans-85-32.4172.9-70.7170-170165.30112.2S238 N239 I240 S244S238-K242 WeakPolarHBondContact O-CG 3.28Å; N239-K242 WeakPolarHBondContact O-CB 3.44Å; N239-K242 PolarHBondContact O-N 3.47Å; N239-K242 PolarHBondContact OD1-NZ 3.2Å; I240-K242 PolarHBondContact O-N 3.1Å; K242-S244 VanDerWaalsContact C-N 3.32Å
243V63.4Low54.7Low126 Ų126108.7 Ų108.776%0.76462%0.623SS**Hα-helixtrans-73.6-27.9178.3177.60000110.9N239 I240 V245N239-V243 PolarHBondContact O-N 2.92Å; I240-V243 PolarHBondContact O-N 3.1Å; I240-V243 VanDerWaalsContact O-N 3.14Å; V243-V245 VanDerWaalsContact C-N 3.26Å; V243-V245 PolarHBondContact O-N 3.42Å
244S54.2Low52.3Low82 Ų82115.8 Ų115.857%0.57365%0.65SS**THydrogen-bonded Turntrans-81.516.4179.966.80000115.6I240 K241 K242I240-S244 PolarHBondContact O-N 3.06Å; K241-S244 PolarHBondContact O-OG 3.2Å; K242-S244 VanDerWaalsContact C-N 3.32Å
245V45.8Very low50Low106 Ų106115.5 Ų115.564%0.64267%0.667SS**  trans-118.294.9172.4-178.60000108.7V243 T247V243-V245 VanDerWaalsContact C-N 3.26Å; V243-V245 PolarHBondContact O-N 3.42Å; V245-T247 PolarHBondContact O-N 3.09Å
246P39.9Very low48Very low112 Ų112119.1 Ų119.173%0.72769%0.687SS**  trans-69.1127.4172.4-14.729.8000110S248P246-S248 PolarHBondContact O-N 3.26Å
247T36.3Very low46Very low131 Ų131120.7 Ų120.780%0.80470%0.696SS**  trans-69.9104163.7-56.80000108.5V245 P249V245-T247 PolarHBondContact O-N 3.09Å; T247-P249 WeakPolarHBondContact O-CD 3.35Å
248S28.5Very low43.9Very low108 Ų108121.8 Ų121.876%0.75571%0.706SS**PPolyproline II helixtrans-66.2125.7159.9-77.80000108.5P246P246-S248 PolarHBondContact O-N 3.26Å
249P36.3Very low41.9Very low117 Ų117125.8 Ų125.876%0.7673%0.729SS**PPolyproline II helixtrans-63.1136.8167.3-16.530.9000109.2T247T247-P249 WeakPolarHBondContact O-CD 3.35Å
250G37.6Very low40Very low78 Ų78127.1 Ų127.180%0.80475%0.745SS**PPolyproline II helixtrans-65.8142.8166.300000110
251Q30.3Very low37.8Very low178 Ų178125.3 Ų125.383%0.83275%0.754SS**  trans-134.196171.5-168.9167900109.1
252D31.3Very low36.4Very low169 Ų169123.2 Ų123.290%0.90476%0.756SS**  trans-74.8117.3168.6-62.4-53.7000109.6
253T31.1Very low34.8Very low124 Ų124126.6 Ų126.676%0.76177%0.766SS**  trans-149.1130155.9-29.10000112.1
254F31Very low33.6Very low192 Ų192125.9 Ų125.984%0.84276%0.764SS**  trans-72.7145.1172.6-109.5-109.9000112.8
255A29.3Very low32.6Very low102 Ų102127.6 Ų127.684%0.84377%0.773SS**  trans-170.8153.1141.400000111.8
256D30.6Very low31.9Very low132 Ų132131.5 Ų131.571%0.70678%0.782SS**  trans-105155.4-164.4-101.2-43.5000116.1
257N31.4Very low31.2Very low136 Ų136134.4 Ų134.473%0.72779%0.785SS**  trans79.1128.8140.7-80.9-42.3000125.3
258V29.4Very low31.1Very low127 Ų127137.5 Ų137.577%0.7778%0.784SS**  105.1113.6128.2158.50000122.6
259V28.5Very low31.3Very low125 Ų125138.1 Ų138.176%0.75879%0.785SS**  trans92.798.9142.7165.30000123.8
260S26.4Very low30.9Very low114 Ų114142.4 Ų142.480%0.79779%0.792SS**  68.6110.3121.7-49.30000126.3
261G28Very low30.6Very low74 Ų74146 Ų14676%0.76379%0.792SS**  trans105.3162.1131.400000119.5
262P36.8Very low30.6Very low111 Ų111143.3 Ų143.372%0.72179%0.79SS**  -138.6161.9-50.238.9-23.8000116.5
263Y25.6Very low30.5Very low214 Ų214144.5 Ų144.584%0.83979%0.793SS**  trans74.5153.4164.9-60-69.3000121.3
264P37.5Very low30.4Very low111 Ų111141.9 Ų141.972%0.72179%0.79SS**  cis-126.4158.6-24.736.6-22000114.4
265P32.8Very low30.6Very low118 Ų118142 Ų14277%0.76679%0.793SS**PPolyproline II helixtrans-85.7144.6178.534.4-34000113.1
266K30.8Very low30.5Very low189 Ų189142.3 Ų142.382%0.82279%0.789SS**PPolyproline II helixtrans-90.5118167.2-78-175.4176.7178.30110.6
267H25.4Very low30.8Very low172 Ų172145.5 Ų145.580%0.79680%0.799SS**PPolyproline II helixtrans-64.9139172.2-88.1-74.7000112.5
268Y34.3Very low30.9Very low197 Ų197145.4 Ų145.477%0.77380%0.804SS**  trans-128150.3141.7-64.1-76.8000108.2
269P32.7Very low31.4Very low121 Ų121144.7 Ų144.779%0.78680%0.802SS**PPolyproline II helixtrans-82.5134.7-158.7-12.430000113.6
270F29.3Very low31.7Very low206 Ų206143.8 Ų143.890%0.90480%0.798SS**PPolyproline II helixtrans-90.4138.6157-108.8-93.8000109.2
271L30.6Very low32.2Very low155 Ų155148.8 Ų148.881%0.81280%0.802SS**PPolyproline II helixtrans-103.8158.7159.1-80.3171.6000109.3
272P30.4Very low32.7Very low121 Ų121153.6 Ų153.679%0.78680%0.804SS**PPolyproline II helixtrans-75.4156.1-156.3-17.832.5000114.7
273M28.8Very low32.8Very low194 Ų194151.4 Ų151.496%0.95680%0.796SS**PPolyproline II helixtrans-74.5127.5172.6-142.6151.5-164.800110.1
274G29.9Very low33.3Very low68 Ų68150.6 Ų150.670%0.70179%0.792SS**PPolyproline II helixtrans-102.4128.9161.600000109.1S276G274-S276 PolarHBondContact O-N 3.25Å
275E34Very low33.7Very low195 Ų195151 Ų15191%0.91179%0.788SS**PPolyproline II helixtrans-65.7130.1179.5-66.9172.7116.500111.7
276S27.3Very low34.4Very low109 Ų109151.9 Ų151.976%0.76278%0.78SS**  trans-162.9120.9161.5-78.20000109.7G274 T278G274-S276 PolarHBondContact O-N 3.25Å; S276-T278 PolarHBondContact O-N 3.48Å
277H36.5Very low35.2Very low198 Ų198148.1 Ų148.192%0.91777%0.769SS**  trans-61.8133.8176.8-64.9-93.2000111.1
278T33Very low36.2Very low135 Ų135142.2 Ų142.283%0.82875%0.746SS**  trans-121.2123.7172.836.60000110.5S276S276-T278 PolarHBondContact O-N 3.48Å
279P39.8Very low36.9Very low111 Ų111135.6 Ų135.672%0.72173%0.729SS**  trans-84166.6179.433.8-34.7000112.5
280P35.3Very low37.9Very low106 Ų106135.3 Ų135.369%0.68872%0.717SS**  trans-65.9146.9-173.5-21.233.6000114.4Q282 A283P280-Q282 PolarHBondContact O-N 3.35Å; P280-A283 PolarHBondContact O-N 3Å
281Y37.3Very low39.1Very low220 Ų220131.1 Ų131.186%0.86370%0.7SS**THydrogen-bonded Turntrans-58.7-5.4-177.3-150.6-103.4000115.5
282Q39.7Very low40.2Very low174 Ų174129 Ų12981%0.81369%0.69SS**THydrogen-bonded Turntrans-85-13.7-173.5-149.7162.53.100113.6P280P280-Q282 PolarHBondContact O-N 3.35Å
283A37.3Very low41Very low66 Ų66131.5 Ų131.555%0.54568%0.684SS.*SBendtrans-79-30.5178.400000113.8P280 N285 K286 L287P280-A283 PolarHBondContact O-N 3Å; A283-N285 PolarHBondContact O-N 2.91Å; A283-K286 PolarHBondContact O-N 3.32Å; A283-L287 PolarHBondContact O-N 2.98Å
284Y37.5Very low42.2Very low196 Ų196125.2 Ų125.277%0.76966%0.663SS**Hα-helixtrans-67.7-34.3-170.2-127.3-89.6000113.5S288Y284-S288 PolarHBondContact O-N 2.62Å; Y284-S288 PolarHBondContact O-OG 2.87Å
285N45.3Very low43.7Very low119 Ų119126.8 Ų126.864%0.63666%0.655SS**Hα-helixtrans-78.3-20.9179.7-73.3-10.9000113.6A283 S288 S289A283-N285 PolarHBondContact O-N 2.91Å; N285-S288 PolarHBondContact O-OG 2.81Å; N285-S289 PolarHBondContact O-OG 3.28Å
286K46.6Very low44.9Very low138 Ų138123.3 Ų123.360%0.664%0.637SS**Hα-helixtrans-82.4-41.5179-157.9-179.2-179.4-168.10111.3A283 S288 S289 E290A283-K286 PolarHBondContact O-N 3.32Å; K286-S288 PolarHBondContact O-N 2.87Å; K286-S289 PolarHBondContact O-N 3.14Å; K286-S289 PolarHBondContact O-OG 2.91Å; K286-E290 PolarHBondContact O-N 2.04Å; K286-E290 VanDerWaalsContact O-N 3.15Å
287L48.9Very low46.5Very low110 Ų110121.4 Ų121.458%0.57662%0.619SS**Hα-helixtrans-64.7-40.4177.8-145.980.1000112A283 E290 Q291A283-L287 PolarHBondContact O-N 2.98Å; L287-E290 PolarHBondContact O-N 3.33Å; L287-Q291 WeakPolarHBondContact O-CB 3.33Å; L287-Q291 WeakPolarHBondContact O-CG 3.28Å; L287-Q291 PolarHBondContact O-N 3.39Å
288S45.6Very low47.8Very low47 Ų47116.5 Ų116.533%0.32960%0.599SS.*Hα-helixtrans-68.5-35.5178.2600000113.1Y284 N285 K286 N292Y284-S288 PolarHBondContact O-N 2.62Å; Y284-S288 PolarHBondContact O-OG 2.87Å; N285-S288 PolarHBondContact O-OG 2.81Å; K286-S288 PolarHBondContact O-N 2.87Å; S288-N292 WeakPolarHBondContact O-CB 3.21Å; S288-N292 VanDerWaalsContact O-CG 3.25Å; S288-N292 PolarHBondContact O-N 2.92Å; S288-N292 PolarHBondContact O-ND2 2.86Å
289S50.1Low49.2Very low59 Ų59116.5 Ų116.541%0.41359%0.59SS.*Hα-helixtrans-68.4-37.717463.60000113N285 K286 W293N285-S289 PolarHBondContact O-OG 3.28Å; K286-S289 PolarHBondContact O-N 3.14Å; K286-S289 PolarHBondContact O-OG 2.91Å; S289-W293 PolarHBondContact O-N 2.8Å; S289-W293 VanDerWaalsContact O-N 3.16Å
290E52.8Low50.1Low114 Ų114115.7 Ų115.753%0.53358%0.576SS.*Hα-helixtrans-73.6-37178.3-72.7179.7-17600111.6K286 L287 W293 A294K286-E290 PolarHBondContact O-N 2.04Å; K286-E290 VanDerWaalsContact O-N 3.15Å; L287-E290 PolarHBondContact O-N 3.33Å; E290-W293 PolarHBondContact O-N 2.92Å; E290-A294 WeakPolarHBondContact O-CB 3.5Å; E290-A294 PolarHBondContact O-N 3.49Å
291Q54.5Low51.1Low118 Ų118115.6 Ų115.655%0.55157%0.57SS**Hα-helixtrans-67.2-36.7173.4-75.6177.1-50.900113L287 A294 N295L287-Q291 WeakPolarHBondContact O-CB 3.33Å; L287-Q291 WeakPolarHBondContact O-CG 3.28Å; L287-Q291 PolarHBondContact O-N 3.39Å; Q291-A294 PolarHBondContact O-N 3.25Å; Q291-N295 PolarHBondContact O-N 2.85Å
292N52.8Low51.9Low112 Ų112110.4 Ų110.460%0.59956%0.557SS**Hα-helixtrans-66.2-40.2174.7-76.2-16.9000112.1S288 N295 F296S288-N292 WeakPolarHBondContact O-CB 3.21Å; S288-N292 VanDerWaalsContact O-CG 3.25Å; S288-N292 PolarHBondContact O-N 2.92Å; S288-N292 PolarHBondContact O-ND2 2.86Å; N292-N295 PolarHBondContact O-N 2.92Å; N292-F296 WeakPolarHBondContact O-CB 3.34Å; N292-F296 PolarHBondContact O-N 2.81Å
293W48.9Very low52.5Low173 Ų173105.4 Ų105.466%0.65555%0.545SS*.Hα-helixtrans-66.6-38.1173.4-96.497.4000113S289 E290 N297S289-W293 PolarHBondContact O-N 2.8Å; S289-W293 VanDerWaalsContact O-N 3.16Å; E290-W293 PolarHBondContact O-N 2.92Å; W293-N297 WeakPolarHBondContact O-CB 3.45Å; W293-N297 PolarHBondContact O-N 3.39Å; W293-N297 VanDerWaalsContact O-N 3.1Å
294A53.6Low53Low62 Ų62108.6 Ų108.651%0.51255%0.55SS.*Hα-helixtrans-64.4-41.7175.300000112.1E290 Q291 N298E290-A294 WeakPolarHBondContact O-CB 3.5Å; E290-A294 PolarHBondContact O-N 3.49Å; Q291-A294 PolarHBondContact O-N 3.25Å; A294-N298 WeakPolarHBondContact O-CB 3.37Å; A294-N298 PolarHBondContact O-N 2.97Å; A294-N298 VanDerWaalsContact O-N 3.1Å
295N61.7Low53.5Low101 Ų101103.6 Ų103.654%0.5454%0.544SS..Hα-helixtrans-65.3-46.6175.3-86.9-16.1000112.2Q291 N292 N297 N298 E299Q291-N295 PolarHBondContact O-N 2.85Å; N292-N295 PolarHBondContact O-N 2.92Å; N295-N297 PolarHBondContact O-N 3.35Å; N295-N298 PolarHBondContact O-N 3.38Å; N295-E299 PolarHBondContact O-N 2.94Å
296F58.5Low53.4Low122 Ų122102.6 Ų102.654%0.53555%0.547SS..Hα-helixtrans-58.6-47.1179.8-172.9-94.2000111.9N292 N298 E299 E300N292-F296 WeakPolarHBondContact O-CB 3.34Å; N292-F296 PolarHBondContact O-N 2.81Å; F296-N298 VanDerWaalsContact C-N 3.27Å; F296-N298 PolarHBondContact O-N 3.35Å; F296-E299 PolarHBondContact O-N 3.4Å; F296-E300 PolarHBondContact O-N 3.24Å
297N61.1Low53.2Low69 Ų6999.5 Ų99.537%0.36955%0.554SS.*Hα-helixtrans-64.6-30.8176.2-69.8-5.9000112.3W293 N295 N301W293-N297 WeakPolarHBondContact O-CB 3.45Å; W293-N297 PolarHBondContact O-N 3.39Å; W293-N297 VanDerWaalsContact O-N 3.1Å; N295-N297 PolarHBondContact O-N 3.35Å; N297-N301 WeakPolarHBondContact O-CB 3.4Å; N297-N301 PolarHBondContact O-N 3.25Å; N297-N301 PolarHBondContact O-ND2 2.86Å
298N62.9Low52.5Low95 Ų9598.9 Ų98.951%0.50856%0.558SS.*Hα-helixtrans-75.9-37.5178.3-158.639000111.8A294 N295 F296 N301 L302A294-N298 WeakPolarHBondContact O-CB 3.37Å; A294-N298 PolarHBondContact O-N 2.97Å; A294-N298 VanDerWaalsContact O-N 3.1Å; N295-N298 PolarHBondContact O-N 3.38Å; F296-N298 VanDerWaalsContact C-N 3.27Å; F296-N298 PolarHBondContact O-N 3.35Å; N298-N301 PolarHBondContact O-N 3.22Å; N298-L302 WeakPolarHBondContact O-CB 3.42Å; N298-L302 WeakPolarHBondContact O-CD1 3.45Å; N298-L302 VanDerWaalsContact O-CG 3.27Å; N298-L302 WeakPolarHBondContact O-CG 3.31Å; N298-L302 PolarHBondContact O-N 2.99Å
299E63.9Low51.8Low135 Ų135108.2 Ų108.263%0.63159%0.587SS**Hα-helixtrans-63.4-41.6170.3-72-174.6127.500111.7N295 F296 L302 A303N295-E299 PolarHBondContact O-N 2.94Å; F296-E299 PolarHBondContact O-N 3.4Å; E299-L302 PolarHBondContact O-N 3.13Å; E299-A303 WeakPolarHBondContact O-CB 3.28Å; E299-A303 PolarHBondContact O-N 3Å
300E58.8Low51.5Low93 Ų93110.7 Ų110.744%0.43560%0.601SS.*Hα-helixtrans-63.8-43.3176-173.7172.3-176.200112.1F296 A303 M304F296-E300 PolarHBondContact O-N 3.24Å; E300-A303 PolarHBondContact O-N 3.39Å; E300-M304 HydrophobicContact CG-CE 3.79Å; E300-M304 WeakPolarHBondContact O-CG 3.48Å; E300-M304 PolarHBondContact O-N 3.31Å; E300-M304 WeakPolarHBondContact OE1-CE 3.49Å
301N54.6Low50.3Low105 Ų105113.2 Ų113.256%0.56162%0.617SS**Hα-helixtrans-66.5-37.1175.3-81.4-73.4000112.8N297 N298 M304 S305N297-N301 WeakPolarHBondContact O-CB 3.4Å; N297-N301 PolarHBondContact O-N 3.25Å; N297-N301 PolarHBondContact O-ND2 2.86Å; N298-N301 PolarHBondContact O-N 3.22Å; N301-M304 PolarHBondContact O-N 2.75Å; N301-S305 WeakPolarHBondContact O-CB 3.28Å; N301-S305 PolarHBondContact O-N 2.87Å
302L53.9Low49Very low111 Ų111112.2 Ų112.258%0.58162%0.623SS**Hα-helixtrans-66.7-38.9173.4-75.7165.8000111.8N298 E299 S305 S306N298-L302 WeakPolarHBondContact O-CB 3.42Å; N298-L302 WeakPolarHBondContact O-CD1 3.45Å; N298-L302 VanDerWaalsContact O-CG 3.27Å; N298-L302 WeakPolarHBondContact O-CG 3.31Å; N298-L302 PolarHBondContact O-N 2.99Å; E299-L302 PolarHBondContact O-N 3.13Å; L302-S305 PolarHBondContact O-N 3.14Å; L302-S306 PolarHBondContact O-N 2.65Å; L302-S306 VanDerWaalsContact O-N 3.1Å
303A53.7Low48Very low69 Ų69113.3 Ų113.357%0.5763%0.629SS**Hα-helixtrans-64.4-41.4174.700000112E299 E300 S306E299-A303 WeakPolarHBondContact O-CB 3.28Å; E299-A303 PolarHBondContact O-N 3Å; E300-A303 PolarHBondContact O-N 3.39Å; A303-S306 WeakPolarHBondContact O-CB 3.42Å; A303-S306 PolarHBondContact O-N 2.71Å
304M47.5Very low47.2Very low132 Ų132109.7 Ų109.765%0.6563%0.628SS**Hα-helixtrans-68.9-34.8174.4-68.6-173.9-169.400112.6E300 N301 S306E300-M304 HydrophobicContact CG-CE 3.79Å; E300-M304 WeakPolarHBondContact O-CG 3.48Å; E300-M304 PolarHBondContact O-N 3.31Å; E300-M304 WeakPolarHBondContact OE1-CE 3.49Å; N301-M304 PolarHBondContact O-N 2.75Å; M304-S306 VanDerWaalsContact C-N 3.27Å; M304-S306 PolarHBondContact O-N 2.74Å
305S48.3Very low46Very low92 Ų92117.4 Ų117.464%0.64365%0.646SS**Hα-helixtrans-75-11.2176.5-169.90000114.3N301 L302 G307N301-S305 WeakPolarHBondContact O-CB 3.28Å; N301-S305 PolarHBondContact O-N 2.87Å; L302-S305 PolarHBondContact O-N 3.14Å; S305-G307 VanDerWaalsContact C-N 3.3Å; S305-G307 PolarHBondContact O-N 3.46Å
306S43.8Very low44.5Very low98 Ų98116.7 Ų116.769%0.68565%0.653SS**THydrogen-bonded Turntrans-78.3-10.2179.3-173.20000113.7L302 A303 M304 S308L302-S306 PolarHBondContact O-N 2.65Å; L302-S306 VanDerWaalsContact O-N 3.1Å; A303-S306 WeakPolarHBondContact O-CB 3.42Å; A303-S306 PolarHBondContact O-N 2.71Å; M304-S306 VanDerWaalsContact C-N 3.27Å; M304-S306 PolarHBondContact O-N 2.74Å; S306-S308 VanDerWaalsContact C-N 3.3Å; S306-S308 PolarHBondContact O-N 3Å
307G42.2Very low43.2Very low73 Ų73116.6 Ų116.675%0.75366%0.662SS**  trans-75.322.1-166.500000118.8S305S305-G307 VanDerWaalsContact C-N 3.3Å; S305-G307 PolarHBondContact O-N 3.46Å
308S33.9Very low41.6Very low96 Ų96124.6 Ų124.667%0.67169%0.687SS**SBendtrans-146.658.6-166.452.50000118.9S306S306-S308 VanDerWaalsContact C-N 3.3Å; S306-S308 PolarHBondContact O-N 3Å
309R30.7Very low39.9Very low244 Ų244124.7 Ų124.792%0.92170%0.701SS**  trans63168.6147.9-62.3-172.6-175.7-168.92.6119.2
310P43.2Very low38.4Very low111 Ų111123.2 Ų123.272%0.72171%0.712SS**  cis-133.6179.4-46.338.8-23.3000113.8
311L28.5Very low37Very low167 Ų167128.2 Ų128.287%0.87474%0.736SS**  trans69.7150.1170.1-121.471000114.9
312S27.3Very low35.7Very low96 Ų96128.2 Ų128.267%0.67175%0.75SS**  cis-148.5152.83.5-29.60000109.1P314S312-P314 WeakPolarHBondContact O-CD 3.4Å
313D31.1Very low34.6Very low135 Ų135130.9 Ų130.972%0.72276%0.764SS**  trans-107111.4176.5-176.214.1000111.5
314P33Very low33.6Very low98 Ų98131.9 Ų131.964%0.63677%0.773SS**  trans-97.2127168.633.8-25.4000111.1S312S312-P314 WeakPolarHBondContact O-CD 3.4Å
315Y27.3Very low33.9Very low224 Ų224131.1 Ų131.188%0.87878%0.778SS**  trans9251.6176.5-57.5-76.7000118.4
316A30.6Very low33Very low85 Ų85134 Ų13470%0.70279%0.786SS**  trans-75.2122.4156.100000113
317V30.5Very low32.3Very low120 Ų120135.8 Ų135.873%0.72778%0.783SS**  trans-157.3124.9167-178.80000105.3
318R27.5Very low31.8Very low237 Ų237139 Ų13989%0.89478%0.776SS**SBendcis-150.51687-112.8162.3-175.7165.9-0.1106.1
319A28.7Very low31.5Very low97 Ų97142.5 Ų142.580%0.80278%0.782SS**  cis-145.9160.65.400000109
320A30.7Very low31.3Very low104 Ų104136.4 Ų136.486%0.8678%0.776SS**  trans-99.7146.1-172.900000114.1
321E29.2Very low30.6Very low199 Ų199136.6 Ų136.693%0.9378%0.78SS**  trans-72.2158.7166.7-70.5165105.100112
322A29.1Very low30.6Very low104 Ų104140 Ų14086%0.8678%0.781SS**  trans-106.4148.7177.700000112
323L28.9Very low31.2Very low168 Ų168140.6 Ų140.688%0.8878%0.782SS**  trans-129.5114.9179.3-94.2163.9000111.4
324A33Very low31.1Very low90 Ų90138.8 Ų138.874%0.74478%0.781SS**  trans56.2173.3141.300000120.8
325P53.4Low30.9Very low116 Ų116139 Ų13975%0.75378%0.784SS**  cis-134.5-161.4-33.730.2-7.2000114.4
326D30.2Very low31.1Very low152 Ų152133.4 Ų133.481%0.81378%0.778SS**  trans82147.9162.9-93.3-17.9000120.6
327E30.3Very low31.2Very low136 Ų136134.1 Ų134.164%0.63678%0.783SS**  cis-154.41677.5-143.5-156.5146.900114.3
328K30.2Very low31.3Very low139 Ų139133.2 Ų133.260%0.60478%0.782SS**  trans77.6112.9154.7-79.4-175.6177.567.20126.3
329Q27.8Very low31.7Very low171 Ų171130.5 Ų130.580%0.79978%0.777SS**  56.4129.9128-69.2170.9-42.600121.6
330C25.9Very low32.3Very low116 Ų116134.4 Ų134.478%0.78478%0.776SS**  -167.216567.1-161.70000115.8
331S29.6Very low32.4Very low115 Ų115138.1 Ų138.180%0.80478%0.776SS**  trans67.7125.715944.70000122.7
332R28.3Very low32.8Very low238 Ų238139 Ų13990%0.89877%0.772SS**  trans-98.9-173.7173.7-129.8-176.7-172.9-177.44108.5
333P40.3Very low33.8Very low108 Ų108144.2 Ų144.270%0.70179%0.793SS**  cis-145.2177.6-4.341.7-21.9000118.8
334S28.1Very low34Very low98 Ų98143 Ų14369%0.68579%0.788SS**  trans95.9134.3131.5-167.20000122.8
335S29.5Very low34.1Very low101 Ų101145.8 Ų145.871%0.70679%0.79SS**  trans65.4152.8148.152.40000119
336S31.7Very low33Very low108 Ų108147.4 Ų147.476%0.75579%0.793SS**  cis-178.9124.8-15.5-88.50000103.8
337A32.7Very low33.2Very low99 Ų99147.2 Ų147.282%0.81879%0.791SS**  59.4133109.200000119.1
338S33.1Very low33.4Very low101 Ų101147.9 Ų147.971%0.70680%0.801SS**  trans102.3111.2143.1-156.60000121.1
339K35.6Very low33.6Very low181 Ų181148.5 Ų148.579%0.78781%0.814SS**  53.9129.6129.8-67.1176.4177.4168.30123.2
340K39.8Very low34Very low179 Ų179146.9 Ų146.978%0.77882%0.815SS**  58123.6129.7-67.7-172.4170.8-167.10120.9
341Q34.2Very low34.6Very low182 Ų182149.2 Ų149.285%0.8582%0.818SS**  -174.3141.3119.5-97.9160.6-93.100106.2
342Y38Very low35Very low218 Ų218152.1 Ų152.186%0.85582%0.819SS**  cis56.578.833.7-83.4-70.6000114.2
343V48.9Very low35.6Very low212 Ų212144.3 Ų144.3100%1.28581%0.812SS**  -132.90117.1179.90000107.1

Retrieved 343 of 343 residues in 311.5 ms (Link to these results)

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