A0A096NFH2_PAPAN Loading...

Oxysterol-binding protein

Binds phospholipids; exhibits strong binding to phosphatidic acid and weak binding to phosphatidylinositol 3-phosphate. Stabilizes GTP-bound RAB7A on late endosomes/lysosomes and alters functional properties of late endocytic compartments via its interaction with RAB7A. Binds 25-hydroxycholesterol and cholesterol.

AlphaFold DB , UniProt , Accession A0A096NFH2, Species PAPAN (Papio anubis, Olive baboon), Gene OSBPL1A, Length 949 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M46Very low80.6Confident221 Ų22171.5 Ų71.5100%1.08936%0.355SS*.  0139.20-63.2-171.5-131.400106.6
2S57Low81.6Confident24 Ų2468.3 Ų68.317%0.16834%0.339CS..  trans-69.6134.9172.6-179.40000108E6S2-E6 WeakPolarHBondContact CA-OE2 3.22Å; S2-E6 WeakPolarHBondContact CB-OE2 3.39Å; S2-E6 WeakPolarHBondContact OG-CB 3.41Å; S2-E6 PolarHBondContact OG-OE2 3.42Å
3T75.9Confident82.5Confident53 Ų5363 Ų6333%0.32531%0.312SS..  trans-71.2153.1-177.563.50000110A5 E6 Q7T3-A5 PolarHBondContact O-N 3.16Å; T3-E6 PolarHBondContact N-OE2 3.32Å; T3-E6 WeakPolarHBondContact O-CB 3.45Å; T3-E6 PolarHBondContact O-N 3.43Å; T3-E6 VanDerWaalsContact O-N 3.08Å; T3-E6 VanDerWaalsContact OG1-CG 3.29Å; T3-E6 WeakPolarHBondContact OG1-CG 3.39Å; T3-E6 PolarHBondContact OG1-N 2.68Å; T3-Q7 PolarHBondContact O-N 3.49Å
4E83.3Confident83.2Confident147 Ų14763.8 Ų63.869%0.68731%0.31SS*.Hα-helixtrans-55-36176.3-173.7176.7174.300111.4Q7 Q8E4-Q7 PolarHBondContact O-N 3.33Å; E4-Q8 WeakPolarHBondContact O-CG 3.19Å; E4-Q8 PolarHBondContact O-N 3.21Å
5A84.3Confident83.7Confident13 Ų1364.6 Ų64.611%0.10732%0.317CS..Hα-helixtrans-64.5-39175.500000113.9T3 Q7 Q8 L9 V33 A35T3-A5 PolarHBondContact O-N 3.16Å; A5-Q7 VanDerWaalsContact C-N 3.34Å; A5-Q8 PolarHBondContact O-N 3.05Å; A5-L9 WeakPolarHBondContact O-CB 3.19Å; A5-L9 PolarHBondContact O-N 3.23Å; A5-V33 HydrophobicContact CB-CG1 3.35Å; A5-A35 HydrophobicContact CB-CB 4.06Å
6E88.9Confident84.1Confident26 Ų2662.1 Ų62.112%0.12131%0.312CS..Hα-helixtrans-64.2-39.9174.3-73.6167.8178.500111.5S2 T3 L9 L10 A35 D36 C39S2-E6 WeakPolarHBondContact CA-OE2 3.22Å; S2-E6 WeakPolarHBondContact CB-OE2 3.39Å; S2-E6 WeakPolarHBondContact OG-CB 3.41Å; S2-E6 PolarHBondContact OG-OE2 3.42Å; T3-E6 PolarHBondContact N-OE2 3.32Å; T3-E6 WeakPolarHBondContact O-CB 3.45Å; T3-E6 PolarHBondContact O-N 3.43Å; T3-E6 VanDerWaalsContact O-N 3.08Å; T3-E6 VanDerWaalsContact OG1-CG 3.29Å; T3-E6 WeakPolarHBondContact OG1-CG 3.39Å; T3-E6 PolarHBondContact OG1-N 2.68Å; E6-L9 PolarHBondContact O-N 2.82Å; E6-L10 WeakPolarHBondContact O-CB 3.3Å; E6-L10 WeakPolarHBondContact O-CD1 3.48Å; E6-L10 VanDerWaalsContact O-CG 3.29Å; E6-L10 WeakPolarHBondContact O-CG 3.43Å; E6-L10 PolarHBondContact O-N 2.97Å; E6-A35 HydrophobicContact CG-CB 3.87Å; E6-D36 PolarHBondContact OE1-N 2.79Å; E6-C39 HydrophobicContact CB-CB 4.06Å; E6-C39 HydrophobicContact CG-CB 3.74Å
7Q87.3Confident84.7Confident120 Ų12061.7 Ų61.756%0.56131%0.311SS*.Hα-helixtrans-66.7-41.5176.8-65.4-171-7.700111.7T3 E4 A5 H11T3-Q7 PolarHBondContact O-N 3.49Å; E4-Q7 PolarHBondContact O-N 3.33Å; A5-Q7 VanDerWaalsContact C-N 3.34Å; Q7-H11 VanDerWaalsContact O-CB 3.29Å; Q7-H11 WeakPolarHBondContact O-CB 3.15Å; Q7-H11 PolarHBondContact O-N 3.41Å
8Q89.1Confident85Confident73 Ų7359.5 Ų59.534%0.34130%0.304SS..Hα-helixtrans-63.3-44173.9-72.2174-3.100111.2E4 A5 L10 H11 H12 L24E4-Q8 WeakPolarHBondContact O-CG 3.19Å; E4-Q8 PolarHBondContact O-N 3.21Å; A5-Q8 PolarHBondContact O-N 3.05Å; Q8-L10 PolarHBondContact O-N 3.4Å; Q8-H11 PolarHBondContact O-N 3.2Å; Q8-H12 WeakPolarHBondContact O-CB 3.36Å; Q8-H12 PolarHBondContact O-CD2 2.85Å; Q8-H12 VanDerWaalsContact O-CG 3.3Å; Q8-H12 PolarHBondContact O-N 3.13Å; Q8-L24 HydrophobicContact CB-CD1 3.92Å
9L92.3Very high85.4Confident1 Ų165.4 Ų65.41%0.00533%0.327CS..Hα-helixtrans-61.1-46.3177.9-174.862.6000111.7A5 E6 H11 A13 V21 L25 M28 P51 L67A5-L9 WeakPolarHBondContact O-CB 3.19Å; A5-L9 PolarHBondContact O-N 3.23Å; E6-L9 PolarHBondContact O-N 2.82Å; L9-H11 VanDerWaalsContact C-N 3.35Å; L9-H11 PolarHBondContact O-N 3.08Å; L9-A13 WeakPolarHBondContact O-CB 3.35Å; L9-A13 PolarHBondContact O-N 2.88Å; L9-V21 HydrophobicContact CD1-CG1 4.03Å; L9-V21 HydrophobicContact CD1-CG2 4.48Å; L9-L25 HydrophobicContact CD1-CD2 4.38Å; L9-M28 HydrophobicContact CD2-SD 4.49Å; L9-P51 HydrophobicContact CD2-CG 3.92Å; L9-P51 HydrophobicContact CG-CB 4.17Å; L9-P51 HydrophobicContact CG-CG 3.87Å; L9-L67 HydrophobicContact CD1-CD2 4.13Å
10L91.7Very high85.8Confident8 Ų866 Ų664%0.04233%0.329CS..Hα-helixtrans-61.9-40.8175.1-74.2164.1000112.3E6 Q8 R14 P51 L54E6-L10 WeakPolarHBondContact O-CB 3.3Å; E6-L10 WeakPolarHBondContact O-CD1 3.48Å; E6-L10 VanDerWaalsContact O-CG 3.29Å; E6-L10 WeakPolarHBondContact O-CG 3.43Å; E6-L10 PolarHBondContact O-N 2.97Å; Q8-L10 PolarHBondContact O-N 3.4Å; L10-R14 WeakPolarHBondContact O-CB 3.33Å; L10-R14 PolarHBondContact O-N 2.7Å; L10-R14 VanDerWaalsContact O-N 3.12Å; L10-P51 HydrophobicContact CD2-CG 3.8Å; L10-P51 HydrophobicContact CG-CG 4.19Å; L10-L54 HydrophobicContact CB-CD1 4.31Å; L10-L54 HydrophobicContact CD2-CD1 3.68Å
11H91.3Very high86.1Confident100 Ų10062.9 Ų62.946%0.46331%0.314SS..Hα-helixtrans-67-50178.8178.585000111.8Q7 Q8 L9 A13 R14 N15Q7-H11 VanDerWaalsContact O-CB 3.29Å; Q7-H11 WeakPolarHBondContact O-CB 3.15Å; Q7-H11 PolarHBondContact O-N 3.41Å; Q8-H11 PolarHBondContact O-N 3.2Å; L9-H11 VanDerWaalsContact C-N 3.35Å; L9-H11 PolarHBondContact O-N 3.08Å; H11-A13 PolarHBondContact O-N 2.97Å; H11-R14 PolarHBondContact O-N 3.06Å; H11-N15 PolarHBondContact CE1-ND2 3.37Å; H11-N15 PolarHBondContact NE2-ND2 2.99Å; H11-N15 PolarHBondContact O-N 3.26Å; H11-N15 PolarHBondContact O-ND2 3.19Å
12H92.6Very high88.4Confident33 Ų3357.3 Ų57.315%0.15328%0.28CS..Hα-helixtrans-67.6-36.1-179.8-67.5-49.2000112.1Q8 R14 N15 G16 N17 E20 V21Q8-H12 WeakPolarHBondContact O-CB 3.36Å; Q8-H12 PolarHBondContact O-CD2 2.85Å; Q8-H12 VanDerWaalsContact O-CG 3.3Å; Q8-H12 PolarHBondContact O-N 3.13Å; H12-R14 VanDerWaalsContact C-N 3.35Å; H12-N15 PolarHBondContact O-N 2.72Å; H12-G16 PolarHBondContact O-N 2.73Å; H12-N17 HydrophobicContact CB-CB 3.87Å; H12-N17 PolarHBondContact ND1-ND2 3.34Å; H12-N17 VanDerWaalsContact ND1-ND2 3.1Å; H12-N17 PolarHBondContact O-N 2.96Å; H12-E20 HydrophobicContact CB-CB 4.45Å; H12-V21 HydrophobicContact CB-CG2 3.57Å
13A92.7Very high90Very high0 Ų062.3 Ų62.30%030%0.301CS..Hα-helixtrans-67-35.6175.500000112.9L9 H11 P51 H60 V63 L67L9-A13 WeakPolarHBondContact O-CB 3.35Å; L9-A13 PolarHBondContact O-N 2.88Å; H11-A13 PolarHBondContact O-N 2.97Å; A13-P51 HydrophobicContact CB-CB 3.74Å; A13-H60 PolarHBondContact O-CD2 3.47Å; A13-V63 HydrophobicContact CB-CG1 3.85Å; A13-L67 HydrophobicContact CB-CD1 4.38Å
14R92.5Very high90.8Very high74 Ų7460.9 Ų60.928%0.27929%0.292SS..Hα-helixtrans-66.3-39.8172.9178176.2178.6143.65.7112.7L10 H11 H12 S45 N46 L54 F58 H60L10-R14 WeakPolarHBondContact O-CB 3.33Å; L10-R14 PolarHBondContact O-N 2.7Å; L10-R14 VanDerWaalsContact O-N 3.12Å; H11-R14 PolarHBondContact O-N 3.06Å; H12-R14 VanDerWaalsContact C-N 3.35Å; R14-S45 PolarHBondContact NH1-O 3.19Å; R14-N46 PolarHBondContact NH1-OD1 3.31Å; R14-L54 HydrophobicContact CB-CB 4.27Å; R14-L54 HydrophobicContact CB-CD1 4.36Å; R14-L54 HydrophobicContact CB-CD2 4.45Å; R14-F58 HydrophobicContact CG-CD2 3.87Å; R14-F58 HydrophobicContact CG-CE2 3.63Å; R14-F58 HydrophobicContact CG-CZ 4.28Å; R14-H60 PolarHBondContact O-CD2 2.85Å; R14-H60 VanDerWaalsContact O-CD2 3.3Å; R14-H60 PolarHBondContact O-NE2 3.07Å
15N90.9Very high91.1Very high76 Ų7654.7 Ų54.741%0.40626%0.263SS..Hα-helixtrans-90.9-6.9-173.9-68.3-21.6000114.1H11 H12H11-N15 PolarHBondContact CE1-ND2 3.37Å; H11-N15 PolarHBondContact NE2-ND2 2.99Å; H11-N15 PolarHBondContact O-N 3.26Å; H11-N15 PolarHBondContact O-ND2 3.19Å; H12-N15 PolarHBondContact O-N 2.72Å
16G90.7Very high91.4Very high24 Ų2458.5 Ų58.525%0.24728%0.279CS..THydrogen-bonded Turntrans81.218.3178.400000114.1H12 A18 H60H12-G16 PolarHBondContact O-N 2.73Å; G16-A18 PolarHBondContact O-N 2.84Å; G16-H60 WeakPolarHBondContact CA-ND1 3.45Å; G16-H60 PolarHBondContact N-CD2 2.8Å; G16-H60 PolarHBondContact N-NE2 2.94Å
17N93.8Very high91.4Very high56 Ų5658.3 Ų58.330%0.29928%0.279SS..  trans-75.173.1-177.5-71.313.7000110.8H12 K19 E20 V21H12-N17 HydrophobicContact CB-CB 3.87Å; H12-N17 PolarHBondContact ND1-ND2 3.34Å; H12-N17 VanDerWaalsContact ND1-ND2 3.1Å; H12-N17 PolarHBondContact O-N 2.96Å; N17-K19 VanDerWaalsContact C-N 3.31Å; N17-K19 PolarHBondContact O-N 3.18Å; N17-E20 HydrophobicContact CB-CB 4.21Å; N17-E20 HydrophobicContact CB-CG 4.43Å; N17-E20 WeakPolarHBondContact CB-OE2 3.41Å; N17-E20 PolarHBondContact O-N 3.43Å; N17-V21 WeakPolarHBondContact O-CG2 3.45Å; N17-V21 PolarHBondContact O-N 2.75Å
18A90.7Very high91.4Very high22 Ų2254 Ų5418%0.18226%0.259CS..Hα-helixtrans-62.9-32.8-169.600000114G16 R22 Q62 V63G16-A18 PolarHBondContact O-N 2.84Å; A18-R22 VanDerWaalsContact O-CB 3.31Å; A18-R22 WeakPolarHBondContact O-CB 3.49Å; A18-R22 PolarHBondContact O-N 3.1Å; A18-Q62 HydrophobicContact CB-CB 4.05Å; A18-Q62 HydrophobicContact CB-CG 3.75Å; A18-V63 HydrophobicContact CB-CG2 4.11Å
19K91.8Very high91.3Very high171 Ų17154.4 Ų54.474%0.74328%0.276SS*.Hα-helixtrans-67.8-45179-69.1-178179.7178.30111N17 R22 Q23N17-K19 VanDerWaalsContact C-N 3.31Å; N17-K19 PolarHBondContact O-N 3.18Å; K19-R22 PolarHBondContact O-N 2.94Å; K19-Q23 WeakPolarHBondContact O-CB 3.41Å; K19-Q23 PolarHBondContact O-N 2.92Å
20E92.6Very high91.1Very high78 Ų7860.7 Ų60.736%0.36430%0.299SS..Hα-helixtrans-69.1-41.3-179.7-64.873.2-169.700110.9H12 N17 Q23 L24H12-E20 HydrophobicContact CB-CB 4.45Å; N17-E20 HydrophobicContact CB-CB 4.21Å; N17-E20 HydrophobicContact CB-CG 4.43Å; N17-E20 WeakPolarHBondContact CB-OE2 3.41Å; N17-E20 PolarHBondContact O-N 3.43Å; E20-Q23 PolarHBondContact O-N 2.83Å; E20-L24 WeakPolarHBondContact O-CB 3.41Å; E20-L24 WeakPolarHBondContact O-CG 3.24Å; E20-L24 PolarHBondContact O-N 3Å
21V93.4Very high90.6Very high0 Ų067.2 Ų67.20%033%0.334CS..Hα-helixtrans-59-48.1171.6171.90000110.4L9 H12 N17 Q23 L24 L25 V63 L67L9-V21 HydrophobicContact CD1-CG1 4.03Å; L9-V21 HydrophobicContact CD1-CG2 4.48Å; H12-V21 HydrophobicContact CB-CG2 3.57Å; N17-V21 WeakPolarHBondContact O-CG2 3.45Å; N17-V21 PolarHBondContact O-N 2.75Å; V21-Q23 PolarHBondContact O-N 3.23Å; V21-L24 PolarHBondContact O-N 3.02Å; V21-L25 HydrophobicContact CG1-CD1 3.69Å; V21-L25 HydrophobicContact CG1-CG 4.19Å; V21-L25 VanDerWaalsContact O-CG 3.24Å; V21-L25 WeakPolarHBondContact O-CG 3.48Å; V21-L25 PolarHBondContact O-N 2.83Å; V21-V63 HydrophobicContact CG1-CG1 4.4Å; V21-V63 HydrophobicContact CG2-CG1 4.23Å; V21-V63 HydrophobicContact CG2-CG2 4.35Å; V21-L67 HydrophobicContact CG1-CD2 4.3Å; V21-L67 HydrophobicContact CG1-CG 4.42Å
22R93.6Very high90.4Very high104 Ų10468.2 Ų68.239%0.39234%0.339SS..Hα-helixtrans-61.8-43.8179.8-172.4176.3-57.2-162.20.6112.4A18 K19 L24 L25 E26 D66A18-R22 VanDerWaalsContact O-CB 3.31Å; A18-R22 WeakPolarHBondContact O-CB 3.49Å; A18-R22 PolarHBondContact O-N 3.1Å; K19-R22 PolarHBondContact O-N 2.94Å; R22-L24 VanDerWaalsContact C-N 3.33Å; R22-L24 PolarHBondContact O-N 2.72Å; R22-L25 PolarHBondContact O-N 2.98Å; R22-E26 HydrophobicContact CG-CG 4.49Å; R22-E26 WeakPolarHBondContact CG-OE1 3.02Å; R22-E26 WeakPolarHBondContact O-CB 3.32Å; R22-E26 WeakPolarHBondContact O-CG 3.28Å; R22-E26 PolarHBondContact O-N 3.2Å; R22-D66 IonicContact CZ-OD1 2.85Å; R22-D66 IonicContact CZ-OD2 3.79Å; R22-D66 IonicContact NE-OD2 3.94Å; R22-D66 PolarHBondContact NE-OD2 2.77Å; R22-D66 VanDerWaalsContact NE-OD2 3.07Å; R22-D66 IonicContact NH2-OD1 3.98Å; R22-D66 PolarHBondContact NH2-OD1 2.77Å; R22-D66 VanDerWaalsContact NH2-OD1 3.11Å; R22-D66 IonicContact NH2-OD2 3.82Å; R22-D66 PolarHBondContact NH2-OD2 2.89Å
23Q91.8Very high90Very high130 Ų13068.8 Ų68.861%0.60734%0.344SS*.Hα-helixtrans-61.5-42.2177.6-172.6176.16.500111.7K19 E20 V21 E26 T27K19-Q23 WeakPolarHBondContact O-CB 3.41Å; K19-Q23 PolarHBondContact O-N 2.92Å; E20-Q23 PolarHBondContact O-N 2.83Å; V21-Q23 PolarHBondContact O-N 3.23Å; Q23-E26 PolarHBondContact O-N 2.97Å; Q23-T27 WeakPolarHBondContact O-CG2 3.35Å; Q23-T27 PolarHBondContact O-N 3.42Å; Q23-T27 PolarHBondContact O-OG1 3.04Å
24L91.3Very high89.5Confident23 Ų2375.9 Ų75.912%0.1238%0.381CS..Hα-helixtrans-65.3-41.2175.1-76.1167.5000112.3Q8 E20 V21 R22 E26 T27 M28Q8-L24 HydrophobicContact CB-CD1 3.92Å; E20-L24 WeakPolarHBondContact O-CB 3.41Å; E20-L24 WeakPolarHBondContact O-CG 3.24Å; E20-L24 PolarHBondContact O-N 3Å; V21-L24 PolarHBondContact O-N 3.02Å; R22-L24 VanDerWaalsContact C-N 3.33Å; R22-L24 PolarHBondContact O-N 2.72Å; L24-E26 VanDerWaalsContact C-N 3.34Å; L24-E26 PolarHBondContact O-N 2.84Å; L24-T27 PolarHBondContact O-N 2.66Å; L24-T27 PolarHBondContact O-OG1 3.07Å; L24-M28 WeakPolarHBondContact O-CB 3.34Å; L24-M28 WeakPolarHBondContact O-CG 3.41Å; L24-M28 PolarHBondContact O-N 3.08Å
25L90.9Very high89.2Confident16 Ų1673.3 Ų73.38%0.08438%0.376CS..Hα-helixtrans-66.7-36.2177-66.9173.1000112L9 V21 R22 M28 A29 I37 D66 L67 A70L9-L25 HydrophobicContact CD1-CD2 4.38Å; V21-L25 HydrophobicContact CG1-CD1 3.69Å; V21-L25 HydrophobicContact CG1-CG 4.19Å; V21-L25 VanDerWaalsContact O-CG 3.24Å; V21-L25 WeakPolarHBondContact O-CG 3.48Å; V21-L25 PolarHBondContact O-N 2.83Å; R22-L25 PolarHBondContact O-N 2.98Å; L25-M28 HydrophobicContact CD2-SD 4.3Å; L25-M28 PolarHBondContact O-N 3.2Å; L25-A29 WeakPolarHBondContact O-CB 3.35Å; L25-A29 PolarHBondContact O-N 2.9Å; L25-I37 HydrophobicContact CD2-CD1 3.69Å; L25-I37 HydrophobicContact CD2-CG1 4.08Å; L25-D66 HydrophobicContact CD1-CB 4.27Å; L25-D66 WeakPolarHBondContact CD1-O 3.44Å; L25-L67 HydrophobicContact CD1-CD2 4.24Å; L25-L67 HydrophobicContact CD2-CD2 4.29Å; L25-A70 HydrophobicContact CB-CB 4.26Å; L25-A70 HydrophobicContact CD1-CB 3.88Å; L25-A70 HydrophobicContact CD2-CB 3.85Å; L25-A70 HydrophobicContact CG-CB 4.21Å
26E89.8Confident89Confident94 Ų9473.6 Ų73.644%0.43938%0.377SS..Hα-helixtrans-67.8-40.5175.5-75.5174.9-166.900112.6R22 Q23 L24 M28 A29 R30R22-E26 HydrophobicContact CG-CG 4.49Å; R22-E26 WeakPolarHBondContact CG-OE1 3.02Å; R22-E26 WeakPolarHBondContact O-CB 3.32Å; R22-E26 WeakPolarHBondContact O-CG 3.28Å; R22-E26 PolarHBondContact O-N 3.2Å; Q23-E26 PolarHBondContact O-N 2.97Å; L24-E26 VanDerWaalsContact C-N 3.34Å; L24-E26 PolarHBondContact O-N 2.84Å; E26-M28 VanDerWaalsContact C-N 3.35Å; E26-A29 PolarHBondContact O-N 3.24Å; E26-R30 WeakPolarHBondContact O-CG 3.44Å; E26-R30 PolarHBondContact O-N 2.95Å; E26-R30 VanDerWaalsContact O-N 3.07Å
27T89.7Confident89Confident22 Ų2273.5 Ų73.514%0.13537%0.371CS..Hα-helixtrans-69.1-3517557.20000111.5Q23 L24 R30 N31 E32 V33Q23-T27 WeakPolarHBondContact O-CG2 3.35Å; Q23-T27 PolarHBondContact O-N 3.42Å; Q23-T27 PolarHBondContact O-OG1 3.04Å; L24-T27 PolarHBondContact O-N 2.66Å; L24-T27 PolarHBondContact O-OG1 3.07Å; T27-R30 PolarHBondContact O-N 3.01Å; T27-N31 PolarHBondContact O-N 2.98Å; T27-E32 WeakPolarHBondContact CG2-OE2 3.29Å; T27-E32 WeakPolarHBondContact O-CB 3.19Å; T27-E32 PolarHBondContact O-N 3.43Å; T27-V33 PolarHBondContact O-N 3.17Å
28M86.9Confident88.9Confident28 Ų2871.9 Ų71.914%0.13836%0.362CS..Hα-helixtrans-63.1-43.7170.6-71.417063.200111.7L9 L24 L25 E26 R30 N31 V33 A35 I37L9-M28 HydrophobicContact CD2-SD 4.49Å; L24-M28 WeakPolarHBondContact O-CB 3.34Å; L24-M28 WeakPolarHBondContact O-CG 3.41Å; L24-M28 PolarHBondContact O-N 3.08Å; L25-M28 HydrophobicContact CD2-SD 4.3Å; L25-M28 PolarHBondContact O-N 3.2Å; E26-M28 VanDerWaalsContact C-N 3.35Å; M28-R30 VanDerWaalsContact C-N 3.29Å; M28-R30 PolarHBondContact O-N 2.66Å; M28-N31 PolarHBondContact O-N 3.36Å; M28-V33 HydrophobicContact CG-CB 4.34Å; M28-V33 HydrophobicContact CG-CG1 4.36Å; M28-A35 HydrophobicContact CE-CB 3.82Å; M28-A35 WeakPolarHBondContact CE-O 3.39Å; M28-A35 HydrophobicContact CG-CB 4.34Å; M28-A35 HydrophobicContact SD-CB 3.91Å; M28-I37 HydrophobicContact CE-CB 4.29Å
29A86Confident88.8Confident83 Ų8371.1 Ų71.169%0.68636%0.355SS*.Hα-helixtrans-65.5-30177.900000113.3L25 E26 N31L25-A29 WeakPolarHBondContact O-CB 3.35Å; L25-A29 PolarHBondContact O-N 2.9Å; E26-A29 PolarHBondContact O-N 3.24Å; A29-N31 PolarHBondContact O-N 3.39Å
30R88.1Confident88.7Confident133 Ų13366.8 Ų66.850%0.50234%0.337SS..THydrogen-bonded Turntrans-81.33.7173.1-67.9-168-59.9-91.6-6.8113.8E26 T27 M28 E32E26-R30 WeakPolarHBondContact O-CG 3.44Å; E26-R30 PolarHBondContact O-N 2.95Å; E26-R30 VanDerWaalsContact O-N 3.07Å; T27-R30 PolarHBondContact O-N 3.01Å; M28-R30 VanDerWaalsContact C-N 3.29Å; M28-R30 PolarHBondContact O-N 2.66Å; R30-E32 HydrophobicContact CB-CG 3.95Å; R30-E32 IonicContact CZ-OE1 3.93Å; R30-E32 IonicContact CZ-OE2 3.87Å; R30-E32 VanDerWaalsContact NE-CD 3.33Å; R30-E32 IonicContact NE-OE1 2.87Å; R30-E32 PolarHBondContact NE-OE1 2.8Å; R30-E32 IonicContact NE-OE2 3.36Å; R30-E32 PolarHBondContact NE-OE2 3.24Å; R30-E32 IonicContact NH2-OE1 2.68Å; R30-E32 IonicContact NH2-OE2 2.65Å; R30-E32 PolarHBondContact NH2-OE2 2.77Å; R30-E32 PolarHBondContact O-N 3.29Å
31N82.6Confident88.3Confident145 Ų14563.2 Ų63.278%0.77532%0.321SS*.THydrogen-bonded Turntrans57.222.6-173.4-62.5-46.4000114T27 M28 A29T27-N31 PolarHBondContact O-N 2.98Å; M28-N31 PolarHBondContact O-N 3.36Å; A29-N31 PolarHBondContact O-N 3.39Å
32E85.6Confident87.7Confident121 Ų12171.7 Ų71.757%0.56535%0.353SS*.SBendtrans-77.7-28.4176.3-67.3166.4-176.300111.1T27 R30T27-E32 WeakPolarHBondContact CG2-OE2 3.29Å; T27-E32 WeakPolarHBondContact O-CB 3.19Å; T27-E32 PolarHBondContact O-N 3.43Å; R30-E32 HydrophobicContact CB-CG 3.95Å; R30-E32 IonicContact CZ-OE1 3.93Å; R30-E32 IonicContact CZ-OE2 3.87Å; R30-E32 VanDerWaalsContact NE-CD 3.33Å; R30-E32 IonicContact NE-OE1 2.87Å; R30-E32 PolarHBondContact NE-OE1 2.8Å; R30-E32 IonicContact NE-OE2 3.36Å; R30-E32 PolarHBondContact NE-OE2 3.24Å; R30-E32 IonicContact NH2-OE1 2.68Å; R30-E32 IonicContact NH2-OE2 2.65Å; R30-E32 PolarHBondContact NH2-OE2 2.77Å; R30-E32 PolarHBondContact O-N 3.29Å
33V85.6Confident86.8Confident44 Ų4469.5 Ų69.527%0.26735%0.353SS..SBendtrans-130.2129.1179.4176.10000109.3A5 T27 M28 A35A5-V33 HydrophobicContact CB-CG1 3.35Å; T27-V33 PolarHBondContact O-N 3.17Å; M28-V33 HydrophobicContact CG-CB 4.34Å; M28-V33 HydrophobicContact CG-CG1 4.36Å; V33-A35 HydrophobicContact CG1-CB 4.49Å
34I82.2Confident85.7Confident149 Ų14973.5 Ų73.576%0.76437%0.369SS*.  trans-97.6109.7176-56.3172.3000108.4
35A84.9Confident84.5Confident21 Ų2175.9 Ų75.917%0.17439%0.387CS..  trans-146.3150.1176.300000110.3A5 E6 M28 V33A5-A35 HydrophobicContact CB-CB 4.06Å; E6-A35 HydrophobicContact CG-CB 3.87Å; M28-A35 HydrophobicContact CE-CB 3.82Å; M28-A35 WeakPolarHBondContact CE-O 3.39Å; M28-A35 HydrophobicContact CG-CB 4.34Å; M28-A35 HydrophobicContact SD-CB 3.91Å; V33-A35 HydrophobicContact CG1-CB 4.49Å
36D88.1Confident83.6Confident82 Ų8275.8 Ų75.844%0.43939%0.387SS..  trans-85.5120.2170.9179.98000110.3E6 N38 C39E6-D36 PolarHBondContact OE1-N 2.79Å; D36-N38 PolarHBondContact O-N 3.38Å; D36-N38 PolarHBondContact OD1-N 2.9Å; D36-C39 HydrophobicContact CB-CB 4.16Å; D36-C39 WeakPolarHBondContact O-CB 3.36Å; D36-C39 PolarHBondContact O-N 2.72Å; D36-C39 PolarHBondContact O-SG 3.21Å
37I90.3Very high83.1Confident22 Ų2276.3 Ų76.311%0.11339%0.392CS..THydrogen-bonded Turntrans-63.8-26.3176.8-165.9169.6000112.2L25 M28 C39 L67 A70 A72L25-I37 HydrophobicContact CD2-CD1 3.69Å; L25-I37 HydrophobicContact CD2-CG1 4.08Å; M28-I37 HydrophobicContact CE-CB 4.29Å; I37-C39 VanDerWaalsContact C-N 3.34Å; I37-L67 HydrophobicContact CD1-CD2 4.39Å; I37-L67 HydrophobicContact CG1-CD2 4.13Å; I37-A70 HydrophobicContact CD1-CB 3.57Å; I37-A72 HydrophobicContact CD1-CB 3.95Å; I37-A72 HydrophobicContact CG1-CB 4.1Å
38N91Very high82.9Confident22 Ų2275.2 Ų75.212%0.11839%0.385CS..THydrogen-bonded Turntrans-97.417.4176.9-60-48.3000112D36 K40 T50 E73D36-N38 PolarHBondContact O-N 3.38Å; D36-N38 PolarHBondContact OD1-N 2.9Å; N38-K40 PolarHBondContact O-N 2.83Å; N38-T50 WeakPolarHBondContact O-CG2 3.26Å; N38-E73 WeakPolarHBondContact ND2-CG 3.27Å; N38-E73 PolarHBondContact OD1-N 2.86Å
39C89.6Confident83.1Confident5 Ų575.4 Ų75.43%0.03439%0.385CS..PPolyproline II helixtrans-52.9138.5-179.359.70000111.8E6 D36 I37 T50 P51E6-C39 HydrophobicContact CB-CB 4.06Å; E6-C39 HydrophobicContact CG-CB 3.74Å; D36-C39 HydrophobicContact CB-CB 4.16Å; D36-C39 WeakPolarHBondContact O-CB 3.36Å; D36-C39 PolarHBondContact O-N 2.72Å; D36-C39 PolarHBondContact O-SG 3.21Å; I37-C39 VanDerWaalsContact C-N 3.34Å; C39-T50 WeakPolarHBondContact O-CA 3.49Å; C39-P51 VanDerWaalsContact O-CD 3.31Å; C39-P51 WeakPolarHBondContact O-CD 3.47Å
40K89Confident83.4Confident81 Ų8171.5 Ų71.535%0.35235%0.352SS..PPolyproline II helixtrans-94.6131175.8-69-174.1171.4-165.90110.7N38 T50 L77 D79N38-K40 PolarHBondContact O-N 2.83Å; K40-T50 HydrophobicContact CG-CG2 4.15Å; K40-L77 WeakPolarHBondContact CE-O 3.42Å; K40-L77 PolarHBondContact NZ-O 3.14Å; K40-D79 WeakPolarHBondContact CD-OD1 3.5Å; K40-D79 IonicContact NZ-OD1 3.06Å; K40-D79 PolarHBondContact NZ-OD1 2.85Å
41G84.6Confident83.8Confident3 Ų365.1 Ų65.13%0.03133%0.328CS..PPolyproline II helixtrans-59.2140.6174.500000112N46 L47 G48 W49G41-N46 WeakPolarHBondContact CA-O 3.4Å; G41-L47 CarbonylContact O-C 3.43Å; G41-L47 WeakPolarHBondContact O-CA 3.37Å; G41-G48 PolarHBondContact O-N 2.97Å; G41-W49 PolarHBondContact N-O 2.84Å
42R79.9Confident84.4Confident178 Ų17858.3 Ų58.367%0.67229%0.292SS*.  trans-113.6-9.1-179.5-56.9-176-171.5-162.8-0.7113.3
43S74.8Confident84.8Confident58 Ų5852.6 Ų52.641%0.40627%0.265SS..SBendtrans-79.5152.7175.762.50000110.4S45 N46 L47S43-S45 PolarHBondContact O-N 3.22Å; S43-S45 PolarHBondContact OG-OG 2.94Å; S43-N46 PolarHBondContact O-N 2.89Å; S43-L47 WeakPolarHBondContact O-CA 3.34Å; S43-L47 WeakPolarHBondContact O-CB 3.45Å; S43-L47 PolarHBondContact O-N 2.86Å
44K69.4Low85.2Confident213 Ų21350.6 Ų50.693%0.92625%0.253SS*.THydrogen-bonded Turntrans-51.8-28.9176.3-72.6-172.5177.1-176.30113.3
45S66.4Low85.8Confident73 Ų7343.5 Ų43.551%0.5122%0.216SC..THydrogen-bonded Turntrans-78.2-21.5-176.263.80000114.3R14 S43R14-S45 PolarHBondContact NH1-O 3.19Å; S43-S45 PolarHBondContact O-N 3.22Å; S43-S45 PolarHBondContact OG-OG 2.94Å
46N72.2Confident86.3Confident14 Ų1442.5 Ų42.58%0.07521%0.208CC..THydrogen-bonded Turntrans-139.820-171.7-48.214.7000111.8R14 G41 S43 G48 W49 L54R14-N46 PolarHBondContact NH1-OD1 3.31Å; G41-N46 WeakPolarHBondContact CA-O 3.4Å; S43-N46 PolarHBondContact O-N 2.89Å; N46-G48 PolarHBondContact O-N 3.33Å; N46-W49 PolarHBondContact O-N 3.2Å; N46-W49 VanDerWaalsContact O-N 3.1Å; N46-L54 HydrophobicContact CB-CD1 4.27Å; N46-L54 HydrophobicContact CB-CD2 4.39Å
47L79.3Confident86.5Confident105 Ų10542.4 Ų42.455%0.5520%0.202SC..THydrogen-bonded Turntrans-59.8121.2-167.1-173.463.9000111G41 S43 W49G41-L47 CarbonylContact O-C 3.43Å; G41-L47 WeakPolarHBondContact O-CA 3.37Å; S43-L47 WeakPolarHBondContact O-CA 3.34Å; S43-L47 WeakPolarHBondContact O-CB 3.45Å; S43-L47 PolarHBondContact O-N 2.86Å; L47-W49 VanDerWaalsContact C-N 3.26Å; L47-W49 PolarHBondContact O-N 3.31Å
48G83.9Confident86.6Confident0 Ų045 Ų450%021%0.213CC..THydrogen-bonded Turntrans80-1.1177.300000115.6G41 N46 N78 D79G41-G48 PolarHBondContact O-N 2.97Å; N46-G48 PolarHBondContact O-N 3.33Å; G48-N78 VanDerWaalsContact O-CA 3.3Å; G48-N78 WeakPolarHBondContact O-CA 3.27Å; G48-N78 VanDerWaalsContact O-CB 3.3Å; G48-N78 WeakPolarHBondContact O-CB 3.35Å; G48-D79 WeakPolarHBondContact CA-OD2 3.45Å; G48-D79 PolarHBondContact O-N 3.31Å
49W90.9Very high86.6Confident32 Ų3245.2 Ų45.212%0.12122%0.22CC..  trans-95.6141.4-178.5-73.240.4000111.3G41 N46 L47 H53 L54 Y57 M80 R87G41-W49 PolarHBondContact N-O 2.84Å; N46-W49 PolarHBondContact O-N 3.2Å; N46-W49 VanDerWaalsContact O-N 3.1Å; L47-W49 VanDerWaalsContact C-N 3.26Å; L47-W49 PolarHBondContact O-N 3.31Å; W49-H53 HydrophobicContact CB-CB 4.23Å; W49-H53 HydrophobicContact CD2-CB 4.22Å; W49-H53 HydrophobicContact CE3-CB 3.86Å; W49-H53 HydrophobicContact CG-CB 4.4Å; W49-L54 HydrophobicContact CB-CD2 4.28Å; W49-L54 HydrophobicContact CB-CG 4.17Å; W49-L54 HydrophobicContact CD2-CD2 4.41Å; W49-L54 HydrophobicContact CE3-CD2 3.69Å; W49-L54 HydrophobicContact CE3-CG 4.13Å; W49-L54 HydrophobicContact CZ3-CD2 4.39Å; W49-Y57 HydrophobicContact CH2-CD1 4.09Å; W49-Y57 AromaticContact CH2-CD2 3.6Å; W49-Y57 HydrophobicContact CH2-CD2 3.6Å; W49-Y57 HydrophobicContact CH2-CE1 4.49Å; W49-Y57 HydrophobicContact CH2-CE2 4.05Å; W49-Y57 AromaticContact CH2-CG 3.63Å; W49-Y57 HydrophobicContact CH2-CG 3.63Å; W49-Y57 VanDerWaalsContact CZ3-CB 3.49Å; W49-Y57 HydrophobicContact CZ3-CD1 4Å; W49-Y57 HydrophobicContact CZ3-CD2 4.01Å; W49-Y57 AromaticContact CZ3-CG 3.57Å; W49-Y57 HydrophobicContact CZ3-CG 3.57Å; W49-M80 HydrophobicContact CZ2-CE 4.06Å; W49-R87 HydrophobicContact CH2-CG 4.49Å
50T94.1Very high86.8Confident0 Ų047.4 Ų47.40%023%0.23CC..  trans-88163.9173.371.30000111.3N38 C39 K40 L52 H53 L54 V76N38-T50 WeakPolarHBondContact O-CG2 3.26Å; C39-T50 WeakPolarHBondContact O-CA 3.49Å; K40-T50 HydrophobicContact CG-CG2 4.15Å; T50-L52 PolarHBondContact O-N 2.84Å; T50-H53 WeakPolarHBondContact O-CB 3.42Å; T50-H53 PolarHBondContact O-N 2.98Å; T50-H53 VanDerWaalsContact O-N 3.11Å; T50-H53 PolarHBondContact OG1-N 2.64Å; T50-H53 PolarHBondContact OG1-ND1 2.95Å; T50-L54 PolarHBondContact O-N 2.89Å; T50-L54 VanDerWaalsContact O-N 3.09Å; T50-V76 HydrophobicContact CG2-CG1 3.93Å; T50-V76 HydrophobicContact CG2-CG2 4.01Å
51P94.6Very high87Confident0 Ų047 Ų470%023%0.226CC..Hα-helixtrans-52.9-37.6173.3-27.335.6000112.3L9 L10 A13 C39 L54 A55 L67L9-P51 HydrophobicContact CD2-CG 3.92Å; L9-P51 HydrophobicContact CG-CB 4.17Å; L9-P51 HydrophobicContact CG-CG 3.87Å; L10-P51 HydrophobicContact CD2-CG 3.8Å; L10-P51 HydrophobicContact CG-CG 4.19Å; A13-P51 HydrophobicContact CB-CB 3.74Å; C39-P51 VanDerWaalsContact O-CD 3.31Å; C39-P51 WeakPolarHBondContact O-CD 3.47Å; P51-L54 PolarHBondContact O-N 2.74Å; P51-A55 WeakPolarHBondContact O-CB 3.36Å; P51-A55 PolarHBondContact O-N 2.82Å; P51-L67 HydrophobicContact CB-CD1 3.85Å; P51-L67 HydrophobicContact CB-CD2 4.07Å
52L96.1Very high87.3Confident2 Ų250.7 Ų50.71%0.0124%0.243CC..Hα-helixtrans-67.4-41178.7-17058.8000112.3T50 L54 C56 V64 L67 L68 A72 P84T50-L52 PolarHBondContact O-N 2.84Å; L52-L54 PolarHBondContact O-N 3.43Å; L52-C56 VanDerWaalsContact O-CB 3.31Å; L52-C56 WeakPolarHBondContact O-CB 3.41Å; L52-C56 PolarHBondContact O-N 3.03Å; L52-C56 PolarHBondContact O-SG 2.9Å; L52-V64 HydrophobicContact CD1-CB 4.39Å; L52-V64 HydrophobicContact CD1-CG1 3.85Å; L52-V64 HydrophobicContact CD1-CG2 4.5Å; L52-L67 HydrophobicContact CB-CD1 4.42Å; L52-L67 HydrophobicContact CD1-CB 4.31Å; L52-L67 HydrophobicContact CD1-CD1 4.39Å; L52-L68 HydrophobicContact CD1-CD2 4.27Å; L52-L68 HydrophobicContact CD1-CG 4.1Å; L52-L68 HydrophobicContact CD2-CD2 3.78Å; L52-L68 HydrophobicContact CD2-CG 4.5Å; L52-A72 HydrophobicContact CD2-CB 4.22Å; L52-P84 HydrophobicContact CB-CG 4.27Å; L52-P84 HydrophobicContact CD2-CB 4.16Å; L52-P84 HydrophobicContact CD2-CG 3.71Å; L52-P84 HydrophobicContact CG-CB 3.91Å; L52-P84 HydrophobicContact CG-CG 3.77Å
53H94.9Very high88Confident0 Ų042.3 Ų42.30%021%0.211CC..Hα-helixtrans-61.1-44.6173.2-74.798.2000112.4W49 T50 C56 Y57 V76 N78 D82 T83 P84W49-H53 HydrophobicContact CB-CB 4.23Å; W49-H53 HydrophobicContact CD2-CB 4.22Å; W49-H53 HydrophobicContact CE3-CB 3.86Å; W49-H53 HydrophobicContact CG-CB 4.4Å; T50-H53 WeakPolarHBondContact O-CB 3.42Å; T50-H53 PolarHBondContact O-N 2.98Å; T50-H53 VanDerWaalsContact O-N 3.11Å; T50-H53 PolarHBondContact OG1-N 2.64Å; T50-H53 PolarHBondContact OG1-ND1 2.95Å; H53-C56 PolarHBondContact O-N 2.77Å; H53-Y57 WeakPolarHBondContact O-CB 3.44Å; H53-Y57 PolarHBondContact O-N 3.2Å; H53-V76 PolarHBondContact CE1-O 2.83Å; H53-N78 PolarHBondContact CE1-N 3.27Å; H53-D82 PolarHBondContact NE2-O 2.87Å; H53-T83 VanDerWaalsContact NE2-C 3.26Å; H53-P84 WeakPolarHBondContact NE2-CD 3.25Å
54L93.5Very high89Confident3 Ų339.5 Ų39.52%0.01619%0.192CC..Hα-helixtrans-63.2-48.8-179.9-68.8165.1000110.4L10 R14 N46 W49 T50 P51 L52 C56 Y57 F58L10-L54 HydrophobicContact CB-CD1 4.31Å; L10-L54 HydrophobicContact CD2-CD1 3.68Å; R14-L54 HydrophobicContact CB-CB 4.27Å; R14-L54 HydrophobicContact CB-CD1 4.36Å; R14-L54 HydrophobicContact CB-CD2 4.45Å; N46-L54 HydrophobicContact CB-CD1 4.27Å; N46-L54 HydrophobicContact CB-CD2 4.39Å; W49-L54 HydrophobicContact CB-CD2 4.28Å; W49-L54 HydrophobicContact CB-CG 4.17Å; W49-L54 HydrophobicContact CD2-CD2 4.41Å; W49-L54 HydrophobicContact CE3-CD2 3.69Å; W49-L54 HydrophobicContact CE3-CG 4.13Å; W49-L54 HydrophobicContact CZ3-CD2 4.39Å; T50-L54 PolarHBondContact O-N 2.89Å; T50-L54 VanDerWaalsContact O-N 3.09Å; P51-L54 PolarHBondContact O-N 2.74Å; L52-L54 PolarHBondContact O-N 3.43Å; L54-C56 VanDerWaalsContact C-N 3.33Å; L54-C56 PolarHBondContact O-N 3.25Å; L54-Y57 PolarHBondContact O-N 2.76Å; L54-F58 HydrophobicContact CD2-CE2 4.14Å; L54-F58 WeakPolarHBondContact O-CD2 3.42Å; L54-F58 PolarHBondContact O-N 2.9Å
55A95.1Very high90.1Very high0 Ų031.7 Ų31.70%016%0.159CC..Hα-helixtrans-62.3-39.4178.500000112.3P51 G59 H60 V63 V64 L67P51-A55 WeakPolarHBondContact O-CB 3.36Å; P51-A55 PolarHBondContact O-N 2.82Å; A55-G59 PolarHBondContact O-N 3.04Å; A55-G59 VanDerWaalsContact O-N 3.13Å; A55-H60 HydrophobicContact CB-CB 4.38Å; A55-H60 PolarHBondContact O-N 3.33Å; A55-V63 HydrophobicContact CB-CB 4.09Å; A55-V63 HydrophobicContact CB-CG1 3.54Å; A55-V64 HydrophobicContact CB-CG2 3.54Å; A55-L67 HydrophobicContact CB-CD1 4.34Å
56C94.7Very high91.4Very high0 Ų028.8 Ų28.80%014%0.137CC..Hα-helixtrans-66.3-42.3176.6-73.50000113.3L52 H53 L54 A88 L96L52-C56 VanDerWaalsContact O-CB 3.31Å; L52-C56 WeakPolarHBondContact O-CB 3.41Å; L52-C56 PolarHBondContact O-N 3.03Å; L52-C56 PolarHBondContact O-SG 2.9Å; H53-C56 PolarHBondContact O-N 2.77Å; L54-C56 VanDerWaalsContact C-N 3.33Å; L54-C56 PolarHBondContact O-N 3.25Å; C56-A88 HydrophobicContact CB-CB 4.28Å; C56-L96 WeakPolarHBondContact O-CD1 3.11Å
57Y93.1Very high92.5Very high79 Ų7928.1 Ų28.131%0.3113%0.134SC..Hα-helixtrans-70.1-41.5180-175.9-97.2000112.6W49 H53 L54 G59 F90 T91W49-Y57 HydrophobicContact CH2-CD1 4.09Å; W49-Y57 AromaticContact CH2-CD2 3.6Å; W49-Y57 HydrophobicContact CH2-CD2 3.6Å; W49-Y57 HydrophobicContact CH2-CE1 4.49Å; W49-Y57 HydrophobicContact CH2-CE2 4.05Å; W49-Y57 AromaticContact CH2-CG 3.63Å; W49-Y57 HydrophobicContact CH2-CG 3.63Å; W49-Y57 VanDerWaalsContact CZ3-CB 3.49Å; W49-Y57 HydrophobicContact CZ3-CD1 4Å; W49-Y57 HydrophobicContact CZ3-CD2 4.01Å; W49-Y57 AromaticContact CZ3-CG 3.57Å; W49-Y57 HydrophobicContact CZ3-CG 3.57Å; H53-Y57 WeakPolarHBondContact O-CB 3.44Å; H53-Y57 PolarHBondContact O-N 3.2Å; L54-Y57 PolarHBondContact O-N 2.76Å; Y57-G59 VanDerWaalsContact C-N 3.33Å; Y57-F90 HydrophobicContact CE2-CD1 4.22Å; Y57-F90 HydrophobicContact CE2-CE1 4.32Å; Y57-T91 HydrophobicContact CD2-CG2 3.38Å; Y57-T91 HydrophobicContact CE2-CG2 3.58Å; Y57-T91 HydrophobicContact CG-CG2 4.05Å
58F91.4Very high93.2Very high77 Ų7723.6 Ų23.634%0.33811%0.11SC..Hα-helixtrans-84.2-3.7-179.2-70.2-71.7000114R14 L54 H60R14-F58 HydrophobicContact CG-CD2 3.87Å; R14-F58 HydrophobicContact CG-CE2 3.63Å; R14-F58 HydrophobicContact CG-CZ 4.28Å; L54-F58 HydrophobicContact CD2-CE2 4.14Å; L54-F58 WeakPolarHBondContact O-CD2 3.42Å; L54-F58 PolarHBondContact O-N 2.9Å; F58-H60 WeakPolarHBondContact CB-NE2 3.37Å
59G90.4Very high93.6Very high27 Ų2729.5 Ų29.528%0.27814%0.135SC..THydrogen-bonded Turntrans89.315.2172.700000115.3A55 Y57 R61A55-G59 PolarHBondContact O-N 3.04Å; A55-G59 VanDerWaalsContact O-N 3.13Å; Y57-G59 VanDerWaalsContact C-N 3.33Å; G59-R61 PolarHBondContact O-N 3.32Å
60H94.8Very high93.5Very high50 Ų5030.3 Ų30.323%0.23115%0.149CC..  trans-85.275.7-169.6-61.7-48.9000113A13 R14 G16 A55 F58 Q62 V63 V64A13-H60 PolarHBondContact O-CD2 3.47Å; R14-H60 PolarHBondContact O-CD2 2.85Å; R14-H60 VanDerWaalsContact O-CD2 3.3Å; R14-H60 PolarHBondContact O-NE2 3.07Å; G16-H60 WeakPolarHBondContact CA-ND1 3.45Å; G16-H60 PolarHBondContact N-CD2 2.8Å; G16-H60 PolarHBondContact N-NE2 2.94Å; A55-H60 HydrophobicContact CB-CB 4.38Å; A55-H60 PolarHBondContact O-N 3.33Å; F58-H60 WeakPolarHBondContact CB-NE2 3.37Å; H60-Q62 VanDerWaalsContact C-N 3.34Å; H60-Q62 PolarHBondContact O-N 2.84Å; H60-V63 HydrophobicContact CB-CB 4Å; H60-V63 HydrophobicContact CB-CG2 4.14Å; H60-V63 PolarHBondContact O-N 2.9Å; H60-V63 VanDerWaalsContact O-N 3.09Å; H60-V64 WeakPolarHBondContact O-CG2 3.44Å; H60-V64 PolarHBondContact O-N 3.43Å
61R92.9Very high93.2Very high72 Ų7232.9 Ų32.927%0.27218%0.175SC..Hα-helixtrans-49.9-46.1-175.8-176.2-179.8170.4115.77.5114.7G59 V63 V64 Q65 L96 L99G59-R61 PolarHBondContact O-N 3.32Å; R61-V63 VanDerWaalsContact C-N 3.33Å; R61-V63 PolarHBondContact O-N 3.14Å; R61-V64 PolarHBondContact O-N 2.91Å; R61-Q65 WeakPolarHBondContact O-CB 3.4Å; R61-Q65 PolarHBondContact O-N 2.92Å; R61-L96 VanDerWaalsContact CA-CD2 3.49Å; R61-L96 HydrophobicContact CB-CD2 3.71Å; R61-L96 HydrophobicContact CG-CD2 4.02Å; R61-L99 HydrophobicContact CG-CD2 4.37Å
62Q92.1Very high93.1Very high82 Ų8233.3 Ų33.338%0.38318%0.179SC..Hα-helixtrans-66-37.9-177.2-169.459.958.700112A18 H60 Q65 D66A18-Q62 HydrophobicContact CB-CB 4.05Å; A18-Q62 HydrophobicContact CB-CG 3.75Å; H60-Q62 VanDerWaalsContact C-N 3.34Å; H60-Q62 PolarHBondContact O-N 2.84Å; Q62-Q65 PolarHBondContact O-N 3.01Å; Q62-D66 PolarHBondContact NE2-OD1 2.93Å; Q62-D66 WeakPolarHBondContact O-CB 3.37Å; Q62-D66 PolarHBondContact O-N 3.19Å
63V94.6Very high93Very high1 Ų138.8 Ų38.81%0.00620%0.204CC..Hα-helixtrans-67.3-45.4176171.50000110.7A13 A18 V21 A55 H60 R61 Q65 D66 L67A13-V63 HydrophobicContact CB-CG1 3.85Å; A18-V63 HydrophobicContact CB-CG2 4.11Å; V21-V63 HydrophobicContact CG1-CG1 4.4Å; V21-V63 HydrophobicContact CG2-CG1 4.23Å; V21-V63 HydrophobicContact CG2-CG2 4.35Å; A55-V63 HydrophobicContact CB-CB 4.09Å; A55-V63 HydrophobicContact CB-CG1 3.54Å; H60-V63 HydrophobicContact CB-CB 4Å; H60-V63 HydrophobicContact CB-CG2 4.14Å; H60-V63 PolarHBondContact O-N 2.9Å; H60-V63 VanDerWaalsContact O-N 3.09Å; R61-V63 VanDerWaalsContact C-N 3.33Å; R61-V63 PolarHBondContact O-N 3.14Å; V63-Q65 VanDerWaalsContact C-N 3.28Å; V63-Q65 PolarHBondContact O-N 2.86Å; V63-D66 PolarHBondContact O-N 3.42Å; V63-L67 HydrophobicContact CG1-CD1 3.8Å; V63-L67 HydrophobicContact CG1-CG 4.3Å; V63-L67 WeakPolarHBondContact O-CB 3.45Å; V63-L67 VanDerWaalsContact O-CG 3.31Å; V63-L67 WeakPolarHBondContact O-CG 3.45Å; V63-L67 PolarHBondContact O-N 3.37Å
64V95.3Very high92.9Very high0 Ų039.7 Ų39.70%021%0.21CC..Hα-helixtrans-56.4-45.3176174.70000110.4L52 A55 H60 R61 L67 L68 L96 L99L52-V64 HydrophobicContact CD1-CB 4.39Å; L52-V64 HydrophobicContact CD1-CG1 3.85Å; L52-V64 HydrophobicContact CD1-CG2 4.5Å; A55-V64 HydrophobicContact CB-CG2 3.54Å; H60-V64 WeakPolarHBondContact O-CG2 3.44Å; H60-V64 PolarHBondContact O-N 3.43Å; R61-V64 PolarHBondContact O-N 2.91Å; V64-L67 PolarHBondContact O-N 3.49Å; V64-L68 HydrophobicContact CG1-CD1 3.83Å; V64-L68 HydrophobicContact CG1-CG 4.48Å; V64-L68 WeakPolarHBondContact O-CB 3.32Å; V64-L68 VanDerWaalsContact O-CG 3.3Å; V64-L68 WeakPolarHBondContact O-CG 3.45Å; V64-L68 PolarHBondContact O-N 2.8Å; V64-L96 HydrophobicContact CB-CD2 4.43Å; V64-L96 HydrophobicContact CG2-CD1 4.44Å; V64-L96 HydrophobicContact CG2-CD2 4.23Å; V64-L99 HydrophobicContact CB-CD2 4.04Å; V64-L99 HydrophobicContact CG1-CD2 3.59Å; V64-L99 HydrophobicContact CG1-CG 4.27Å
65Q92.8Very high92.8Very high49 Ų4942.3 Ų42.323%0.22922%0.224CC..Hα-helixtrans-64.6-43.4178.9-168.3-17826.300112.5R61 Q62 V63 K69 L99R61-Q65 WeakPolarHBondContact O-CB 3.4Å; R61-Q65 PolarHBondContact O-N 2.92Å; Q62-Q65 PolarHBondContact O-N 3.01Å; V63-Q65 VanDerWaalsContact C-N 3.28Å; V63-Q65 PolarHBondContact O-N 2.86Å; Q65-K69 HydrophobicContact CG-CD 4.37Å; Q65-K69 WeakPolarHBondContact O-CB 3.38Å; Q65-K69 VanDerWaalsContact O-CG 3.31Å; Q65-K69 WeakPolarHBondContact O-CG 3.24Å; Q65-K69 PolarHBondContact O-N 2.93Å; Q65-L99 HydrophobicContact CB-CD2 4.15Å
66D93.7Very high92.6Very high12 Ų1243 Ų436%0.06423%0.229CC..Hα-helixtrans-67.8-38.9-179.2-69.9-5.5000111R22 L25 Q62 V63 A70R22-D66 IonicContact CZ-OD1 2.85Å; R22-D66 IonicContact CZ-OD2 3.79Å; R22-D66 IonicContact NE-OD2 3.94Å; R22-D66 PolarHBondContact NE-OD2 2.77Å; R22-D66 VanDerWaalsContact NE-OD2 3.07Å; R22-D66 IonicContact NH2-OD1 3.98Å; R22-D66 PolarHBondContact NH2-OD1 2.77Å; R22-D66 VanDerWaalsContact NH2-OD1 3.11Å; R22-D66 IonicContact NH2-OD2 3.82Å; R22-D66 PolarHBondContact NH2-OD2 2.89Å; L25-D66 HydrophobicContact CD1-CB 4.27Å; L25-D66 WeakPolarHBondContact CD1-O 3.44Å; Q62-D66 PolarHBondContact NE2-OD1 2.93Å; Q62-D66 WeakPolarHBondContact O-CB 3.37Å; Q62-D66 PolarHBondContact O-N 3.19Å; V63-D66 PolarHBondContact O-N 3.42Å; D66-A70 WeakPolarHBondContact O-CB 3.44Å; D66-A70 PolarHBondContact O-N 3.26Å; D66-A70 VanDerWaalsContact O-N 3.13Å
67L93.9Very high92.5Very high0 Ų047 Ų470%025%0.249CC..Hα-helixtrans-64.2-46.8174.4-72.1170.2000112.6L9 A13 V21 L25 I37 P51 L52 A55 V63 V64 K69 A70 G71 A72L9-L67 HydrophobicContact CD1-CD2 4.13Å; A13-L67 HydrophobicContact CB-CD1 4.38Å; V21-L67 HydrophobicContact CG1-CD2 4.3Å; V21-L67 HydrophobicContact CG1-CG 4.42Å; L25-L67 HydrophobicContact CD1-CD2 4.24Å; L25-L67 HydrophobicContact CD2-CD2 4.29Å; I37-L67 HydrophobicContact CD1-CD2 4.39Å; I37-L67 HydrophobicContact CG1-CD2 4.13Å; P51-L67 HydrophobicContact CB-CD1 3.85Å; P51-L67 HydrophobicContact CB-CD2 4.07Å; L52-L67 HydrophobicContact CB-CD1 4.42Å; L52-L67 HydrophobicContact CD1-CB 4.31Å; L52-L67 HydrophobicContact CD1-CD1 4.39Å; A55-L67 HydrophobicContact CB-CD1 4.34Å; V63-L67 HydrophobicContact CG1-CD1 3.8Å; V63-L67 HydrophobicContact CG1-CG 4.3Å; V63-L67 WeakPolarHBondContact O-CB 3.45Å; V63-L67 VanDerWaalsContact O-CG 3.31Å; V63-L67 WeakPolarHBondContact O-CG 3.45Å; V63-L67 PolarHBondContact O-N 3.37Å; V64-L67 PolarHBondContact O-N 3.49Å; L67-K69 PolarHBondContact O-N 2.89Å; L67-A70 PolarHBondContact O-N 3.46Å; L67-G71 PolarHBondContact O-N 3.14Å; L67-A72 HydrophobicContact CB-CB 4.11Å; L67-A72 WeakPolarHBondContact O-CB 3.49Å; L67-A72 PolarHBondContact O-N 3.33Å
68L94.3Very high92.3Very high9 Ų943.4 Ų43.45%0.04724%0.236CC..Hα-helixtrans-64.4-39.4179-71.7169.8000112L52 V64 A70 G71 V74 L99 L100 Y103L52-L68 HydrophobicContact CD1-CD2 4.27Å; L52-L68 HydrophobicContact CD1-CG 4.1Å; L52-L68 HydrophobicContact CD2-CD2 3.78Å; L52-L68 HydrophobicContact CD2-CG 4.5Å; V64-L68 HydrophobicContact CG1-CD1 3.83Å; V64-L68 HydrophobicContact CG1-CG 4.48Å; V64-L68 WeakPolarHBondContact O-CB 3.32Å; V64-L68 VanDerWaalsContact O-CG 3.3Å; V64-L68 WeakPolarHBondContact O-CG 3.45Å; V64-L68 PolarHBondContact O-N 2.8Å; L68-A70 VanDerWaalsContact C-N 3.28Å; L68-A70 PolarHBondContact O-N 2.89Å; L68-G71 PolarHBondContact O-N 3.02Å; L68-G71 VanDerWaalsContact O-N 3.08Å; L68-V74 HydrophobicContact CD2-CB 4.13Å; L68-V74 HydrophobicContact CD2-CG2 4.13Å; L68-L99 HydrophobicContact CD1-CG 4.16Å; L68-L100 HydrophobicContact CD1-CD2 4.22Å; L68-Y103 HydrophobicContact CB-CD1 3.81Å; L68-Y103 HydrophobicContact CB-CD2 4.35Å; L68-Y103 HydrophobicContact CB-CE1 3.75Å; L68-Y103 HydrophobicContact CB-CE2 4.29Å; L68-Y103 HydrophobicContact CB-CG 4.11Å; L68-Y103 HydrophobicContact CD1-CD2 3.81Å; L68-Y103 HydrophobicContact CD1-CE2 4.22Å; L68-Y103 HydrophobicContact CD1-CG 3.96Å; L68-Y103 HydrophobicContact CD2-CD1 4.45Å; L68-Y103 HydrophobicContact CD2-CG 4.33Å; L68-Y103 HydrophobicContact CG-CD1 4.49Å; L68-Y103 HydrophobicContact CG-CG 4.37Å
69K92.1Very high92.1Very high124 Ų12444.8 Ų44.854%0.53925%0.246SC..Hα-helixtrans-63.3-33.8174.2-77.4176-179.2172.10113Q65 L67 G71Q65-K69 HydrophobicContact CG-CD 4.37Å; Q65-K69 WeakPolarHBondContact O-CB 3.38Å; Q65-K69 VanDerWaalsContact O-CG 3.31Å; Q65-K69 WeakPolarHBondContact O-CG 3.24Å; Q65-K69 PolarHBondContact O-N 2.93Å; L67-K69 PolarHBondContact O-N 2.89Å; K69-G71 PolarHBondContact O-N 3.07Å
70A88.8Confident91.7Very high50 Ų5048 Ų4841%0.41326%0.256SS..THydrogen-bonded Turntrans-805.8175.800000113.4L25 I37 D66 L67 L68L25-A70 HydrophobicContact CB-CB 4.26Å; L25-A70 HydrophobicContact CD1-CB 3.88Å; L25-A70 HydrophobicContact CD2-CB 3.85Å; L25-A70 HydrophobicContact CG-CB 4.21Å; I37-A70 HydrophobicContact CD1-CB 3.57Å; D66-A70 WeakPolarHBondContact O-CB 3.44Å; D66-A70 PolarHBondContact O-N 3.26Å; D66-A70 VanDerWaalsContact O-N 3.13Å; L67-A70 PolarHBondContact O-N 3.46Å; L68-A70 VanDerWaalsContact C-N 3.28Å; L68-A70 PolarHBondContact O-N 2.89Å
71G88.8Confident91.3Very high53 Ų5346.5 Ų46.555%0.54625%0.253SS..THydrogen-bonded Turntrans89.721173.600000114.9L67 L68 K69L67-G71 PolarHBondContact O-N 3.14Å; L68-G71 PolarHBondContact O-N 3.02Å; L68-G71 VanDerWaalsContact O-N 3.08Å; K69-G71 PolarHBondContact O-N 3.07Å
72A92.5Very high91.2Very high9 Ų943.4 Ų43.47%0.07424%0.242CC..  trans-58.5138.6172.300000111I37 L52 L67 V74I37-A72 HydrophobicContact CD1-CB 3.95Å; I37-A72 HydrophobicContact CG1-CB 4.1Å; L52-A72 HydrophobicContact CD2-CB 4.22Å; L67-A72 HydrophobicContact CB-CB 4.11Å; L67-A72 WeakPolarHBondContact O-CB 3.49Å; L67-A72 PolarHBondContact O-N 3.33Å; A72-V74 PolarHBondContact O-N 2.86Å
73E92.6Very high91.3Very high117 Ų11739.5 Ų39.555%0.54722%0.223SC..  trans-72.5112.9-178-78.4178-165.400110.5N38 N75 V76N38-E73 WeakPolarHBondContact ND2-CG 3.27Å; N38-E73 PolarHBondContact OD1-N 2.86Å; E73-N75 VanDerWaalsContact C-N 3.29Å; E73-N75 PolarHBondContact O-N 3.3Å; E73-V76 HydrophobicContact CB-CB 3.94Å; E73-V76 WeakPolarHBondContact O-CB 3.35Å; E73-V76 WeakPolarHBondContact O-CG1 3.41Å; E73-V76 PolarHBondContact O-N 3.15Å
74V92.7Very high91.4Very high20 Ų2039.4 Ų39.412%0.12122%0.223CC..THydrogen-bonded Turntrans-64.9-30.2-174.671.30000113.6L68 A72 P84 L100 A105L68-V74 HydrophobicContact CD2-CB 4.13Å; L68-V74 HydrophobicContact CD2-CG2 4.13Å; A72-V74 PolarHBondContact O-N 2.86Å; V74-P84 WeakPolarHBondContact O-CD 3.44Å; V74-L100 HydrophobicContact CG2-CD2 3.92Å; V74-A105 HydrophobicContact CG2-CB 3.75Å
75N91.8Very high91.4Very high57 Ų5739.4 Ų39.431%0.30522%0.223SC..THydrogen-bonded Turntrans-105.818.6-177.9-64.1-39.3000112.5E73 L77 N104 A105 D106E73-N75 VanDerWaalsContact C-N 3.29Å; E73-N75 PolarHBondContact O-N 3.3Å; N75-L77 PolarHBondContact O-N 3.15Å; N75-N104 PolarHBondContact ND2-O 3.08Å; N75-A105 WeakPolarHBondContact OD1-CA 3.47Å; N75-D106 PolarHBondContact OD1-N 2.88Å
76V92.1Very high91.4Very high16 Ų1637.1 Ų37.110%0.09721%0.212CC..  trans-60.9137.3178.467.60000110.5T50 H53 E73 P84T50-V76 HydrophobicContact CG2-CG1 3.93Å; T50-V76 HydrophobicContact CG2-CG2 4.01Å; H53-V76 PolarHBondContact CE1-O 2.83Å; E73-V76 HydrophobicContact CB-CB 3.94Å; E73-V76 WeakPolarHBondContact O-CB 3.35Å; E73-V76 WeakPolarHBondContact O-CG1 3.41Å; E73-V76 PolarHBondContact O-N 3.15Å; V76-P84 HydrophobicContact CG1-CG 4.14Å; V76-P84 WeakPolarHBondContact O-CD 3.2Å
77L91.8Very high91.4Very high83 Ų8338.1 Ų38.144%0.43522%0.215SC..  trans-95126.6-179.4-55.2-179.8000110.8K40 N75 D82 T83 V109K40-L77 WeakPolarHBondContact CE-O 3.42Å; K40-L77 PolarHBondContact NZ-O 3.14Å; N75-L77 PolarHBondContact O-N 3.15Å; L77-D82 WeakPolarHBondContact CA-O 3.48Å; L77-T83 HydrophobicContact CD2-CG2 3.65Å; L77-V109 HydrophobicContact CD2-CG1 3.95Å
78N88.4Confident91.5Very high4 Ų438.1 Ų38.12%0.02122%0.215CC..  trans-69.9177.7165.975.76.7000110.5G48 H53 M80 G81 D82G48-N78 VanDerWaalsContact O-CA 3.3Å; G48-N78 WeakPolarHBondContact O-CA 3.27Å; G48-N78 VanDerWaalsContact O-CB 3.3Å; G48-N78 WeakPolarHBondContact O-CB 3.35Å; H53-N78 PolarHBondContact CE1-N 3.27Å; N78-M80 PolarHBondContact O-N 3.2Å; N78-M80 VanDerWaalsContact O-N 3.16Å; N78-M80 WeakPolarHBondContact OD1-CA 3.3Å; N78-M80 WeakPolarHBondContact OD1-CB 3.19Å; N78-M80 PolarHBondContact OD1-N 3.5Å; N78-G81 PolarHBondContact O-N 2.65Å; N78-G81 PolarHBondContact OD1-N 3.38Å; N78-D82 PolarHBondContact N-O 2.93Å; N78-D82 PolarHBondContact ND2-OD2 3.23Å; N78-D82 VanDerWaalsContact ND2-OD2 3.14Å; N78-D82 PolarHBondContact OD1-N 3.29Å
79D86.9Confident91.4Very high105 Ų10537.7 Ų37.756%0.56121%0.213SC*.THydrogen-bonded Turntrans-69.9-9.2-178.4-66.9-3.4000114K40 G48K40-D79 WeakPolarHBondContact CD-OD1 3.5Å; K40-D79 IonicContact NZ-OD1 3.06Å; K40-D79 PolarHBondContact NZ-OD1 2.85Å; G48-D79 WeakPolarHBondContact CA-OD2 3.45Å; G48-D79 PolarHBondContact O-N 3.31Å
80M83.4Confident91.4Very high96 Ų9636.2 Ų36.247%0.47321%0.207SC..THydrogen-bonded Turntrans-94.82.1170.9-66.9179-8500112.6W49 N78 D82 R87 G112W49-M80 HydrophobicContact CZ2-CE 4.06Å; N78-M80 PolarHBondContact O-N 3.2Å; N78-M80 VanDerWaalsContact O-N 3.16Å; N78-M80 WeakPolarHBondContact OD1-CA 3.3Å; N78-M80 WeakPolarHBondContact OD1-CB 3.19Å; N78-M80 PolarHBondContact OD1-N 3.5Å; M80-D82 VanDerWaalsContact C-N 3.27Å; M80-D82 PolarHBondContact O-N 3.16Å; M80-R87 PolarHBondContact SD-NH2 3.12Å; M80-R87 VanDerWaalsContact SD-NH2 3.41Å; M80-G112 WeakPolarHBondContact O-CA 3.49Å; M80-G112 PolarHBondContact O-N 2.98Å
81G86Confident91.4Very high17 Ų1735.6 Ų35.618%0.17520%0.198CC..SBendtrans76.77.6-176.900000114.4N78 N111N78-G81 PolarHBondContact O-N 2.65Å; N78-G81 PolarHBondContact OD1-N 3.38Å; G81-N111 VanDerWaalsContact O-CA 3.3Å; G81-N111 WeakPolarHBondContact O-CA 3.46Å; G81-N111 WeakPolarHBondContact O-CB 3.37Å
82D90.8Very high91.4Very high7 Ų734.9 Ų34.94%0.03719%0.19CC..  trans-76.3147.1174.5-58.3-59.7000111.1H53 L77 N78 M80 H86 R87 N111H53-D82 PolarHBondContact NE2-O 2.87Å; L77-D82 WeakPolarHBondContact CA-O 3.48Å; N78-D82 PolarHBondContact N-O 2.93Å; N78-D82 PolarHBondContact ND2-OD2 3.23Å; N78-D82 VanDerWaalsContact ND2-OD2 3.14Å; N78-D82 PolarHBondContact OD1-N 3.29Å; M80-D82 VanDerWaalsContact C-N 3.27Å; M80-D82 PolarHBondContact O-N 3.16Å; D82-H86 HydrophobicContact CB-CB 3.89Å; D82-R87 HydrophobicContact CB-CG 4.36Å; D82-R87 IonicContact OD2-CZ 2.74Å; D82-R87 IonicContact OD2-NE 2.87Å; D82-R87 PolarHBondContact OD2-NE 2.86Å; D82-R87 IonicContact OD2-NH2 3.62Å; D82-R87 PolarHBondContact OD2-NH2 2.73Å; D82-N111 WeakPolarHBondContact OD1-CB 3.45Å; D82-N111 PolarHBondContact OD1-ND2 3.46Å
83T94.6Very high91.1Very high0 Ų040.1 Ų40.10%021%0.208CC..  trans-87.5164.1160.967.80000110.6H53 L77 L85 H86 R87 V109H53-T83 VanDerWaalsContact NE2-C 3.26Å; L77-T83 HydrophobicContact CD2-CG2 3.65Å; T83-L85 PolarHBondContact O-N 2.93Å; T83-L85 VanDerWaalsContact O-N 3.1Å; T83-L85 WeakPolarHBondContact OG1-CB 3.46Å; T83-L85 PolarHBondContact OG1-N 3.28Å; T83-H86 PolarHBondContact N-ND1 2.83Å; T83-H86 WeakPolarHBondContact O-CB 3.09Å; T83-H86 PolarHBondContact O-N 2.78Å; T83-H86 PolarHBondContact OG1-N 2.78Å; T83-H86 PolarHBondContact OG1-ND1 2.77Å; T83-R87 PolarHBondContact O-N 3.35Å; T83-V109 HydrophobicContact CG2-CB 3.98Å; T83-V109 HydrophobicContact CG2-CG1 3.69Å; T83-V109 HydrophobicContact CG2-CG2 4.23Å
84P95.6Very high90.9Very high0 Ų038 Ų380%020%0.197CC..Hα-helixtrans-53.1-29.7168.5-27.734.4000113.3L52 H53 V74 V76 R87 A88 L100L52-P84 HydrophobicContact CB-CG 4.27Å; L52-P84 HydrophobicContact CD2-CB 4.16Å; L52-P84 HydrophobicContact CD2-CG 3.71Å; L52-P84 HydrophobicContact CG-CB 3.91Å; L52-P84 HydrophobicContact CG-CG 3.77Å; H53-P84 WeakPolarHBondContact NE2-CD 3.25Å; V74-P84 WeakPolarHBondContact O-CD 3.44Å; V76-P84 HydrophobicContact CG1-CG 4.14Å; V76-P84 WeakPolarHBondContact O-CD 3.2Å; P84-R87 PolarHBondContact O-N 2.66Å; P84-A88 PolarHBondContact O-N 2.93Å; P84-L100 HydrophobicContact CB-CD1 4.14Å; P84-L100 HydrophobicContact CB-CD2 3.99Å; P84-L100 WeakPolarHBondContact O-CD1 3.11Å
85L95.7Very high90.5Very high0 Ų041.7 Ų41.70%021%0.213CC..Hα-helixtrans-66.3-42.3176.6-173.766.6000111.9T83 R87 A88 A89 V97 L100 L101 A105 T107 A117 L130T83-L85 PolarHBondContact O-N 2.93Å; T83-L85 VanDerWaalsContact O-N 3.1Å; T83-L85 WeakPolarHBondContact OG1-CB 3.46Å; T83-L85 PolarHBondContact OG1-N 3.28Å; L85-R87 VanDerWaalsContact C-N 3.28Å; L85-R87 PolarHBondContact O-N 3.02Å; L85-A88 PolarHBondContact O-N 2.89Å; L85-A89 WeakPolarHBondContact O-CB 3.42Å; L85-A89 PolarHBondContact O-N 2.79Å; L85-V97 HydrophobicContact CD1-CB 4.35Å; L85-V97 HydrophobicContact CD1-CG1 3.92Å; L85-V97 HydrophobicContact CD1-CG2 4.45Å; L85-L100 HydrophobicContact CB-CD1 4.23Å; L85-L100 HydrophobicContact CD1-CB 3.98Å; L85-L100 HydrophobicContact CD1-CD1 4.18Å; L85-L101 HydrophobicContact CD1-CD2 4.44Å; L85-L101 HydrophobicContact CD1-CG 4.3Å; L85-L101 HydrophobicContact CD2-CD2 4.16Å; L85-A105 HydrophobicContact CB-CB 4.32Å; L85-A105 HydrophobicContact CD1-CB 4.48Å; L85-A105 HydrophobicContact CD2-CB 4.03Å; L85-T107 HydrophobicContact CD2-CG2 4.04Å; L85-A117 HydrophobicContact CB-CB 4.48Å; L85-A117 HydrophobicContact CD2-CB 3.8Å; L85-A117 HydrophobicContact CG-CB 3.78Å; L85-L130 HydrophobicContact CD1-CD2 4.45Å; L85-L130 HydrophobicContact CD2-CD2 4.13Å
86H93.6Very high90.5Very high1 Ų139.1 Ų39.11%0.00520%0.199CC..Hα-helixtrans-58.7-42173.7-70.381.9000111.2D82 T83 A89 F90 V109 Q115 A117 V120D82-H86 HydrophobicContact CB-CB 3.89Å; T83-H86 PolarHBondContact N-ND1 2.83Å; T83-H86 WeakPolarHBondContact O-CB 3.09Å; T83-H86 PolarHBondContact O-N 2.78Å; T83-H86 PolarHBondContact OG1-N 2.78Å; T83-H86 PolarHBondContact OG1-ND1 2.77Å; H86-A89 PolarHBondContact O-N 3.03Å; H86-F90 WeakPolarHBondContact O-CB 3.49Å; H86-F90 PolarHBondContact O-N 3.47Å; H86-V109 PolarHBondContact CE1-O 2.92Å; H86-V109 PolarHBondContact NE2-O 3.39Å; H86-Q115 PolarHBondContact NE2-O 3.15Å; H86-Q115 VanDerWaalsContact NE2-O 3.13Å; H86-A117 PolarHBondContact NE2-N 3.05Å; H86-V120 HydrophobicContact CB-CG2 4.19Å
87R93.8Very high90.4Very high33 Ų3338.3 Ų38.313%0.12520%0.195CC..Hα-helixtrans-72.6-36-179.1-65.3-63.2172.5173-5113.1W49 M80 D82 T83 P84 L85 T91W49-R87 HydrophobicContact CH2-CG 4.49Å; M80-R87 PolarHBondContact SD-NH2 3.12Å; M80-R87 VanDerWaalsContact SD-NH2 3.41Å; D82-R87 HydrophobicContact CB-CG 4.36Å; D82-R87 IonicContact OD2-CZ 2.74Å; D82-R87 IonicContact OD2-NE 2.87Å; D82-R87 PolarHBondContact OD2-NE 2.86Å; D82-R87 IonicContact OD2-NH2 3.62Å; D82-R87 PolarHBondContact OD2-NH2 2.73Å; T83-R87 PolarHBondContact O-N 3.35Å; P84-R87 PolarHBondContact O-N 2.66Å; L85-R87 VanDerWaalsContact C-N 3.28Å; L85-R87 PolarHBondContact O-N 3.02Å; R87-T91 WeakPolarHBondContact O-CG2 3.3Å; R87-T91 PolarHBondContact O-N 2.81Å; R87-T91 PolarHBondContact O-OG1 3.02Å
88A94.3Very high90.1Very high0 Ų036.6 Ų36.60%019%0.185CC..Hα-helixtrans-66.7-40.7171.600000112.1C56 P84 L85 T91 G92 R93 L96 V97 L100C56-A88 HydrophobicContact CB-CB 4.28Å; P84-A88 PolarHBondContact O-N 2.93Å; L85-A88 PolarHBondContact O-N 2.89Å; A88-T91 PolarHBondContact O-OG1 3.44Å; A88-G92 PolarHBondContact O-N 2.85Å; A88-R93 PolarHBondContact O-N 2.92Å; A88-L96 HydrophobicContact CB-CB 3.93Å; A88-V97 HydrophobicContact CB-CG2 3.85Å; A88-L100 HydrophobicContact CB-CD1 3.79Å
89A93.1Very high90Very high0 Ų036.6 Ų36.60%019%0.185CC..Hα-helixtrans-70-46.3179.400000111.9L85 H86 T91 G92 V97 A117 V120 T121 I126 L130L85-A89 WeakPolarHBondContact O-CB 3.42Å; L85-A89 PolarHBondContact O-N 2.79Å; H86-A89 PolarHBondContact O-N 3.03Å; A89-T91 VanDerWaalsContact C-N 3.26Å; A89-T91 PolarHBondContact O-N 2.84Å; A89-G92 PolarHBondContact O-N 2.98Å; A89-V97 HydrophobicContact CB-CG2 4.17Å; A89-A117 VanDerWaalsContact CB-O 3.28Å; A89-A117 WeakPolarHBondContact CB-O 3.35Å; A89-V120 HydrophobicContact CB-CG2 4.28Å; A89-T121 WeakPolarHBondContact O-CB 3.34Å; A89-T121 PolarHBondContact O-OG1 3.39Å; A89-I126 HydrophobicContact CB-CG2 4.1Å; A89-L130 HydrophobicContact CB-CD1 4.37Å
90F92.6Very high90Very high92 Ų9231.6 Ų31.640%0.40416%0.158SC..Hα-helixtrans-56.9-38.1176.2177.5-100.2000112.8Y57 H86 G92 V120Y57-F90 HydrophobicContact CE2-CD1 4.22Å; Y57-F90 HydrophobicContact CE2-CE1 4.32Å; H86-F90 WeakPolarHBondContact O-CB 3.49Å; H86-F90 PolarHBondContact O-N 3.47Å; F90-G92 VanDerWaalsContact C-N 3.31Å; F90-G92 PolarHBondContact O-N 3.42Å; F90-V120 HydrophobicContact CB-CG2 4.44Å
91T88.6Confident90.2Very high38 Ų3828.5 Ų28.523%0.23314%0.143CC..THydrogen-bonded Turntrans-86.42.6-179.954.30000113.9Y57 R87 A88 A89 R93Y57-T91 HydrophobicContact CD2-CG2 3.38Å; Y57-T91 HydrophobicContact CE2-CG2 3.58Å; Y57-T91 HydrophobicContact CG-CG2 4.05Å; R87-T91 WeakPolarHBondContact O-CG2 3.3Å; R87-T91 PolarHBondContact O-N 2.81Å; R87-T91 PolarHBondContact O-OG1 3.02Å; A88-T91 PolarHBondContact O-OG1 3.44Å; A89-T91 VanDerWaalsContact C-N 3.26Å; A89-T91 PolarHBondContact O-N 2.84Å; T91-R93 VanDerWaalsContact C-N 3.29Å; T91-R93 PolarHBondContact O-N 2.81Å; T91-R93 WeakPolarHBondContact OG1-CG 3.35Å
92G87.6Confident89.8Confident37 Ų3730.7 Ų30.738%0.38115%0.149SC..THydrogen-bonded Turntrans71.618.917800000114.4A88 A89 F90 K94A88-G92 PolarHBondContact O-N 2.85Å; A89-G92 PolarHBondContact O-N 2.98Å; F90-G92 VanDerWaalsContact C-N 3.31Å; F90-G92 PolarHBondContact O-N 3.42Å; G92-K94 PolarHBondContact O-N 2.85Å; G92-K94 VanDerWaalsContact O-N 3.13Å
93R86.6Confident89.6Confident120 Ų12034.1 Ų34.145%0.45316%0.162SC..  trans-88.877.6-173.1-59-62-172.7-174.20111.3A88 T91 E95 L96 V97A88-R93 PolarHBondContact O-N 2.92Å; T91-R93 VanDerWaalsContact C-N 3.29Å; T91-R93 PolarHBondContact O-N 2.81Å; T91-R93 WeakPolarHBondContact OG1-CG 3.35Å; R93-E95 VanDerWaalsContact C-N 3.27Å; R93-E95 PolarHBondContact O-N 3.35Å; R93-L96 HydrophobicContact CB-CB 4.17Å; R93-L96 HydrophobicContact CB-CD1 3.99Å; R93-L96 HydrophobicContact CB-CG 4.06Å; R93-L96 HydrophobicContact CG-CD1 4.42Å; R93-L96 PolarHBondContact O-N 2.94Å; R93-V97 PolarHBondContact O-N 2.93Å
94K88.2Confident89.1Confident71 Ų7140.7 Ų40.731%0.30920%0.197SC..Hα-helixtrans-49.6-43.5-176.6-176.3-179.4-176.5170.80113.7G92 L96 V97 M98 E125 I126 M129G92-K94 PolarHBondContact O-N 2.85Å; G92-K94 VanDerWaalsContact O-N 3.13Å; K94-L96 PolarHBondContact O-N 3.31Å; K94-V97 PolarHBondContact O-N 3.36Å; K94-M98 HydrophobicContact CG-CE 4.48Å; K94-M98 WeakPolarHBondContact O-CG 3.16Å; K94-M98 PolarHBondContact O-N 2.84Å; K94-E125 IonicContact NZ-OE2 2.72Å; K94-E125 PolarHBondContact NZ-OE2 3.43Å; K94-I126 HydrophobicContact CB-CD1 4.27Å; K94-I126 HydrophobicContact CB-CG1 4.2Å; K94-M129 HydrophobicContact CD-CE 4.31Å; K94-M129 HydrophobicContact CG-CE 3.76Å
95E86.2Confident88.7Confident98 Ų9841.1 Ų41.146%0.45820%0.2SC..Hα-helixtrans-61.9-33.5-179.6-68.375.6-165.100112.5R93 L99R93-E95 VanDerWaalsContact C-N 3.27Å; R93-E95 PolarHBondContact O-N 3.35Å; E95-L99 WeakPolarHBondContact O-CB 3.42Å; E95-L99 PolarHBondContact O-N 3.11Å; E95-L99 VanDerWaalsContact O-N 3.16Å
96L89.9Confident88Confident3 Ų344.2 Ų44.22%0.01622%0.217CC..Hα-helixtrans-83.6-35.5179.2-56.7-172.9000111.4C56 R61 V64 A88 R93 K94 M98 L99 L100C56-L96 WeakPolarHBondContact O-CD1 3.11Å; R61-L96 VanDerWaalsContact CA-CD2 3.49Å; R61-L96 HydrophobicContact CB-CD2 3.71Å; R61-L96 HydrophobicContact CG-CD2 4.02Å; V64-L96 HydrophobicContact CB-CD2 4.43Å; V64-L96 HydrophobicContact CG2-CD1 4.44Å; V64-L96 HydrophobicContact CG2-CD2 4.23Å; A88-L96 HydrophobicContact CB-CB 3.93Å; R93-L96 HydrophobicContact CB-CB 4.17Å; R93-L96 HydrophobicContact CB-CD1 3.99Å; R93-L96 HydrophobicContact CB-CG 4.06Å; R93-L96 HydrophobicContact CG-CD1 4.42Å; R93-L96 PolarHBondContact O-N 2.94Å; K94-L96 PolarHBondContact O-N 3.31Å; L96-M98 VanDerWaalsContact C-N 3.34Å; L96-L99 PolarHBondContact O-N 2.85Å; L96-L100 WeakPolarHBondContact O-CB 3.39Å; L96-L100 VanDerWaalsContact O-CG 3.22Å; L96-L100 WeakPolarHBondContact O-CG 3.2Å; L96-L100 PolarHBondContact O-N 3.46Å
97V90.4Very high87.7Confident0 Ų044.7 Ų44.70%022%0.22CC..Hα-helixtrans-57.5-49.3169.91730000110L85 A88 A89 R93 K94 L99 L100 L101 I126 M129 L130L85-V97 HydrophobicContact CD1-CB 4.35Å; L85-V97 HydrophobicContact CD1-CG1 3.92Å; L85-V97 HydrophobicContact CD1-CG2 4.45Å; A88-V97 HydrophobicContact CB-CG2 3.85Å; A89-V97 HydrophobicContact CB-CG2 4.17Å; R93-V97 PolarHBondContact O-N 2.93Å; K94-V97 PolarHBondContact O-N 3.36Å; V97-L99 PolarHBondContact O-N 2.89Å; V97-L100 PolarHBondContact O-N 2.93Å; V97-L101 HydrophobicContact CG1-CD1 3.88Å; V97-L101 HydrophobicContact CG1-CG 4.5Å; V97-L101 VanDerWaalsContact O-CG 3.22Å; V97-L101 WeakPolarHBondContact O-CG 3.31Å; V97-L101 PolarHBondContact O-N 3.13Å; V97-I126 HydrophobicContact CG1-CG2 4.18Å; V97-I126 HydrophobicContact CG2-CD1 4.25Å; V97-I126 HydrophobicContact CG2-CG2 3.98Å; V97-M129 HydrophobicContact CG1-SD 4.07Å; V97-L130 HydrophobicContact CG1-CD2 4.13Å; V97-L130 HydrophobicContact CG1-CG 4.41Å
98M84.9Confident87.1Confident47 Ų4746.2 Ų46.223%0.23223%0.233CC..Hα-helixtrans-59.3-47.1175.7-70.8-169.8-60.500112K94 L96 L100 L101 E102 M129K94-M98 HydrophobicContact CG-CE 4.48Å; K94-M98 WeakPolarHBondContact O-CG 3.16Å; K94-M98 PolarHBondContact O-N 2.84Å; L96-M98 VanDerWaalsContact C-N 3.34Å; M98-L100 VanDerWaalsContact C-N 3.32Å; M98-L100 PolarHBondContact O-N 2.9Å; M98-L101 PolarHBondContact O-N 3.46Å; M98-E102 WeakPolarHBondContact O-CG 3.33Å; M98-E102 PolarHBondContact O-N 2.75Å; M98-M129 HydrophobicContact CG-CE 3.69Å; M98-M129 HydrophobicContact CG-SD 3.58Å; M98-M129 VanDerWaalsContact CG-SD 3.58Å; M98-M129 HydrophobicContact SD-CE 3.98Å
99L86.4Confident86.6Confident3 Ų347.7 Ų47.72%0.01624%0.242CC..Hα-helixtrans-61.5-37.8179.6-179.660.7000112.5R61 V64 Q65 L68 E95 L96 V97 E102 Y103R61-L99 HydrophobicContact CG-CD2 4.37Å; V64-L99 HydrophobicContact CB-CD2 4.04Å; V64-L99 HydrophobicContact CG1-CD2 3.59Å; V64-L99 HydrophobicContact CG1-CG 4.27Å; Q65-L99 HydrophobicContact CB-CD2 4.15Å; L68-L99 HydrophobicContact CD1-CG 4.16Å; E95-L99 WeakPolarHBondContact O-CB 3.42Å; E95-L99 PolarHBondContact O-N 3.11Å; E95-L99 VanDerWaalsContact O-N 3.16Å; L96-L99 PolarHBondContact O-N 2.85Å; V97-L99 PolarHBondContact O-N 2.89Å; L99-E102 WeakPolarHBondContact O-CB 3.43Å; L99-Y103 HydrophobicContact CD1-CD2 4.28Å; L99-Y103 HydrophobicContact CD1-CE2 3.93Å; L99-Y103 WeakPolarHBondContact O-CD2 3.21Å; L99-Y103 PolarHBondContact O-N 3.38Å
100L88Confident86.1Confident0 Ų051.4 Ų51.40%027%0.265CS..Hα-helixtrans-70.8-41.9177.2-71.3167.1000111.5L68 V74 P84 L85 A88 L96 V97 M98 E102 Y103 A105L68-L100 HydrophobicContact CD1-CD2 4.22Å; V74-L100 HydrophobicContact CG2-CD2 3.92Å; P84-L100 HydrophobicContact CB-CD1 4.14Å; P84-L100 HydrophobicContact CB-CD2 3.99Å; P84-L100 WeakPolarHBondContact O-CD1 3.11Å; L85-L100 HydrophobicContact CB-CD1 4.23Å; L85-L100 HydrophobicContact CD1-CB 3.98Å; L85-L100 HydrophobicContact CD1-CD1 4.18Å; A88-L100 HydrophobicContact CB-CD1 3.79Å; L96-L100 WeakPolarHBondContact O-CB 3.39Å; L96-L100 VanDerWaalsContact O-CG 3.22Å; L96-L100 WeakPolarHBondContact O-CG 3.2Å; L96-L100 PolarHBondContact O-N 3.46Å; V97-L100 PolarHBondContact O-N 2.93Å; M98-L100 VanDerWaalsContact C-N 3.32Å; M98-L100 PolarHBondContact O-N 2.9Å; L100-E102 VanDerWaalsContact C-N 3.27Å; L100-E102 PolarHBondContact O-N 3.14Å; L100-Y103 CarbonylContact O-C 3.53Å; L100-Y103 PolarHBondContact O-N 2.78Å; L100-Y103 VanDerWaalsContact O-N 3.07Å; L100-A105 VanDerWaalsContact C-CB 3.48Å; L100-A105 HydrophobicContact CB-CB 3.94Å; L100-A105 WeakPolarHBondContact O-CB 3.32Å; L100-A105 PolarHBondContact O-N 3.47Å
101L86.4Confident85.6Confident31 Ų3147.7 Ų47.716%0.16225%0.249CC..Hα-helixtrans-62-34.6175.3-67.3168.4000112.3L85 V97 M98 Y103 N104 T107 M129 L130 V133L85-L101 HydrophobicContact CD1-CD2 4.44Å; L85-L101 HydrophobicContact CD1-CG 4.3Å; L85-L101 HydrophobicContact CD2-CD2 4.16Å; V97-L101 HydrophobicContact CG1-CD1 3.88Å; V97-L101 HydrophobicContact CG1-CG 4.5Å; V97-L101 VanDerWaalsContact O-CG 3.22Å; V97-L101 WeakPolarHBondContact O-CG 3.31Å; V97-L101 PolarHBondContact O-N 3.13Å; M98-L101 PolarHBondContact O-N 3.46Å; L101-Y103 PolarHBondContact O-N 2.86Å; L101-N104 PolarHBondContact O-N 3.05Å; L101-N104 VanDerWaalsContact O-N 3.1Å; L101-T107 HydrophobicContact CD2-CG2 3.42Å; L101-T107 VanDerWaalsContact CD2-CG2 3.42Å; L101-M129 HydrophobicContact CD1-SD 4.28Å; L101-L130 HydrophobicContact CD1-CD2 4.09Å; L101-L130 HydrophobicContact CD2-CD2 4.11Å; L101-V133 HydrophobicContact CD1-CG2 4.19Å; L101-V133 HydrophobicContact CD2-CG1 4.37Å
102E79.4Confident84.9Confident63 Ų6349.1 Ų49.129%0.29427%0.271SS..Hα-helixtrans-59.8-33.5172.9-76167.4-162.400112.9M98 L99 L100 N104 I556M98-E102 WeakPolarHBondContact O-CG 3.33Å; M98-E102 PolarHBondContact O-N 2.75Å; L99-E102 WeakPolarHBondContact O-CB 3.43Å; L100-E102 VanDerWaalsContact C-N 3.27Å; L100-E102 PolarHBondContact O-N 3.14Å; E102-N104 PolarHBondContact O-N 3.14Å; E102-I556 WeakPolarHBondContact OE1-CB 3.47Å; E102-I556 WeakPolarHBondContact OE1-CD1 3.34Å; E102-I556 WeakPolarHBondContact OE1-CG2 3.32Å
103Y86.3Confident84.4Confident80 Ų8051.8 Ų51.831%0.31428%0.284SS..THydrogen-bonded Turntrans-91.122.5176.9-77.6-102.3000112.6L68 L99 L100 L101L68-Y103 HydrophobicContact CB-CD1 3.81Å; L68-Y103 HydrophobicContact CB-CD2 4.35Å; L68-Y103 HydrophobicContact CB-CE1 3.75Å; L68-Y103 HydrophobicContact CB-CE2 4.29Å; L68-Y103 HydrophobicContact CB-CG 4.11Å; L68-Y103 HydrophobicContact CD1-CD2 3.81Å; L68-Y103 HydrophobicContact CD1-CE2 4.22Å; L68-Y103 HydrophobicContact CD1-CG 3.96Å; L68-Y103 HydrophobicContact CD2-CD1 4.45Å; L68-Y103 HydrophobicContact CD2-CG 4.33Å; L68-Y103 HydrophobicContact CG-CD1 4.49Å; L68-Y103 HydrophobicContact CG-CG 4.37Å; L99-Y103 HydrophobicContact CD1-CD2 4.28Å; L99-Y103 HydrophobicContact CD1-CE2 3.93Å; L99-Y103 WeakPolarHBondContact O-CD2 3.21Å; L99-Y103 PolarHBondContact O-N 3.38Å; L100-Y103 CarbonylContact O-C 3.53Å; L100-Y103 PolarHBondContact O-N 2.78Å; L100-Y103 VanDerWaalsContact O-N 3.07Å; L101-Y103 PolarHBondContact O-N 2.86Å
104N83.1Confident84Confident137 Ų13748.5 Ų48.573%0.73329%0.287SS*.THydrogen-bonded Turntrans61.340.5-179.9-51.6-62.6000113.7N75 L101 E102 D106N75-N104 PolarHBondContact ND2-O 3.08Å; L101-N104 PolarHBondContact O-N 3.05Å; L101-N104 VanDerWaalsContact O-N 3.1Å; E102-N104 PolarHBondContact O-N 3.14Å; N104-D106 PolarHBondContact O-N 3.24Å
105A86.7Confident83.7Confident9 Ų948.9 Ų48.97%0.07429%0.29CS..  trans-57.2131.6165.800000110.4V74 N75 L85 L100V74-A105 HydrophobicContact CG2-CB 3.75Å; N75-A105 WeakPolarHBondContact OD1-CA 3.47Å; L85-A105 HydrophobicContact CB-CB 4.32Å; L85-A105 HydrophobicContact CD1-CB 4.48Å; L85-A105 HydrophobicContact CD2-CB 4.03Å; L100-A105 VanDerWaalsContact C-CB 3.48Å; L100-A105 HydrophobicContact CB-CB 3.94Å; L100-A105 WeakPolarHBondContact O-CB 3.32Å; L100-A105 PolarHBondContact O-N 3.47Å
106D82.4Confident83.7Confident65 Ų6544.9 Ų44.935%0.34827%0.272SS..  trans-82.7116.8179-172.6-11.8000109.3N75 N104 T108 V109N75-D106 PolarHBondContact OD1-N 2.88Å; N104-D106 PolarHBondContact O-N 3.24Å; D106-T108 VanDerWaalsContact C-N 3.29Å; D106-T108 WeakPolarHBondContact OD1-CB 3.24Å; D106-T108 PolarHBondContact OD1-N 2.85Å; D106-T108 PolarHBondContact OD1-OG1 2.85Å; D106-T108 PolarHBondContact OD2-OG1 3.41Å; D106-V109 HydrophobicContact CB-CG2 3.8Å
107T86.1Confident83.6Confident11 Ų1144.7 Ų44.77%0.06727%0.272CS..THydrogen-bonded Turntrans-78.2-17-179.860.80000112.7L85 L101 L130 V133 E134L85-T107 HydrophobicContact CD2-CG2 4.04Å; L101-T107 HydrophobicContact CD2-CG2 3.42Å; L101-T107 VanDerWaalsContact CD2-CG2 3.42Å; T107-L130 HydrophobicContact CG2-CD2 3.77Å; T107-V133 HydrophobicContact CG2-CG1 4.12Å; T107-E134 WeakPolarHBondContact OG1-CG 3.38Å
108T81.8Confident83.5Confident66 Ų6647 Ų4741%0.40528%0.282SS..THydrogen-bonded Turntrans-88.6-5.9-174.169.60000113.3D106 V110D106-T108 VanDerWaalsContact C-N 3.29Å; D106-T108 WeakPolarHBondContact OD1-CB 3.24Å; D106-T108 PolarHBondContact OD1-N 2.85Å; D106-T108 PolarHBondContact OD1-OG1 2.85Å; D106-T108 PolarHBondContact OD2-OG1 3.41Å; T108-V110 PolarHBondContact O-N 2.83Å
109V83.2Confident83.5Confident31 Ų3149.1 Ų49.119%0.18829%0.291CS..  trans-65.1129.4176.8179.20000109.2L77 T83 H86 D106L77-V109 HydrophobicContact CD2-CG1 3.95Å; T83-V109 HydrophobicContact CG2-CB 3.98Å; T83-V109 HydrophobicContact CG2-CG1 3.69Å; T83-V109 HydrophobicContact CG2-CG2 4.23Å; H86-V109 PolarHBondContact CE1-O 2.92Å; H86-V109 PolarHBondContact NE2-O 3.39Å; D106-V109 HydrophobicContact CB-CG2 3.8Å
110V82.4Confident83.6Confident78 Ų7849.4 Ų49.447%0.47329%0.293SS..BIsolated β-bridgetrans-100.5128.1175.6-1750000108.2T108 G114 T116T108-V110 PolarHBondContact O-N 2.83Å; V110-G114 WeakPolarHBondContact CG1-O 3.38Å; V110-T116 HydrophobicContact CG2-CG2 3.91Å
111N82.2Confident83.6Confident14 Ų1449.4 Ų49.48%0.07529%0.293CS..  trans-75.6178.2178.774.13.9000112.6G81 D82 S113 G114 Q115G81-N111 VanDerWaalsContact O-CA 3.3Å; G81-N111 WeakPolarHBondContact O-CA 3.46Å; G81-N111 WeakPolarHBondContact O-CB 3.37Å; D82-N111 WeakPolarHBondContact OD1-CB 3.45Å; D82-N111 PolarHBondContact OD1-ND2 3.46Å; N111-S113 PolarHBondContact O-N 2.93Å; N111-S113 WeakPolarHBondContact OD1-CA 3.48Å; N111-S113 WeakPolarHBondContact OD1-CB 3.44Å; N111-S113 PolarHBondContact OD1-N 2.81Å; N111-G114 PolarHBondContact O-N 3.36Å; N111-G114 PolarHBondContact OD1-N 2.8Å; N111-Q115 PolarHBondContact N-O 3.04Å; N111-Q115 PolarHBondContact OD1-N 2.95Å; N111-Q115 PolarHBondContact OD1-O 3.01Å
112G75.1Confident83.5Confident67 Ų6755.2 Ų55.269%0.69132%0.319SS*.THydrogen-bonded Turntrans-63.7-10179.500000114.8M80M80-G112 WeakPolarHBondContact O-CA 3.49Å; M80-G112 PolarHBondContact O-N 2.98Å
113S76.9Confident83.8Confident94 Ų9453.9 Ų53.966%0.65732%0.318SS*.THydrogen-bonded Turntrans-97.34.8174.3-57.80000113.2N111 Q115N111-S113 PolarHBondContact O-N 2.93Å; N111-S113 WeakPolarHBondContact OD1-CA 3.48Å; N111-S113 WeakPolarHBondContact OD1-CB 3.44Å; N111-S113 PolarHBondContact OD1-N 2.81Å; S113-Q115 VanDerWaalsContact C-N 3.33Å
114G77.9Confident83.7Confident51 Ų5155.9 Ų55.953%0.52633%0.331SS..SBendtrans79.215.3179.800000113.9V110 N111V110-G114 WeakPolarHBondContact CG1-O 3.38Å; N111-G114 PolarHBondContact O-N 3.36Å; N111-G114 PolarHBondContact OD1-N 2.8Å
115Q81.3Confident83.5Confident79 Ų7955.3 Ų55.337%0.36932%0.324SS..  trans-112.4141.7-176.1-59.1-178.9-69.900111.6H86 N111 S113 E119 V120H86-Q115 PolarHBondContact NE2-O 3.15Å; H86-Q115 VanDerWaalsContact NE2-O 3.13Å; N111-Q115 PolarHBondContact N-O 3.04Å; N111-Q115 PolarHBondContact OD1-N 2.95Å; N111-Q115 PolarHBondContact OD1-O 3.01Å; S113-Q115 VanDerWaalsContact C-N 3.33Å; Q115-E119 VanDerWaalsContact CA-OE2 3.28Å; Q115-E119 WeakPolarHBondContact CA-OE2 3.36Å; Q115-E119 HydrophobicContact CB-CB 4.06Å; Q115-V120 HydrophobicContact CB-CG1 3.62Å
116T87.2Confident83.5Confident13 Ų1355 Ų558%0.0832%0.32CS..BIsolated β-bridgetrans-84.5169168.958.70000111.7V110 K118 E119 V120V110-T116 HydrophobicContact CG2-CG2 3.91Å; T116-K118 PolarHBondContact O-N 3.09Å; T116-K118 VanDerWaalsContact O-N 3.11Å; T116-K118 WeakPolarHBondContact OG1-CG 3.41Å; T116-E119 PolarHBondContact N-OE2 3.43Å; T116-E119 PolarHBondContact O-N 2.93Å; T116-E119 PolarHBondContact OG1-OE1 3Å; T116-E119 VanDerWaalsContact OG1-OE1 3.13Å; T116-E119 PolarHBondContact OG1-OE2 3.01Å; T116-V120 PolarHBondContact O-N 3.36Å; T116-V120 VanDerWaalsContact O-N 3.13Å
117A86.8Confident83.7Confident0 Ų054.9 Ų54.90%032%0.315CS..THydrogen-bonded Turntrans-56.7-29.8178.300000113.5L85 H86 A89 V120 L130L85-A117 HydrophobicContact CB-CB 4.48Å; L85-A117 HydrophobicContact CD2-CB 3.8Å; L85-A117 HydrophobicContact CG-CB 3.78Å; H86-A117 PolarHBondContact NE2-N 3.05Å; A89-A117 VanDerWaalsContact CB-O 3.28Å; A89-A117 WeakPolarHBondContact CB-O 3.35Å; A117-V120 VanDerWaalsContact O-CG2 3.28Å; A117-V120 WeakPolarHBondContact O-CG2 3.46Å; A117-L130 HydrophobicContact CB-CD1 4.02Å
118K89.6Confident83.4Confident49 Ų4957.4 Ų57.421%0.21333%0.334CS..THydrogen-bonded Turntrans-76.2-27.2176.961.2169.1-179.2-1650113.4T116 T121 L130 E131 E134T116-K118 PolarHBondContact O-N 3.09Å; T116-K118 VanDerWaalsContact O-N 3.11Å; T116-K118 WeakPolarHBondContact OG1-CG 3.41Å; K118-T121 WeakPolarHBondContact O-CG2 3.21Å; K118-L130 HydrophobicContact CB-CB 3.89Å; K118-L130 HydrophobicContact CB-CD1 4.04Å; K118-E131 HydrophobicContact CD-CG 4.32Å; K118-E134 IonicContact NZ-OE1 2.67Å; K118-E134 IonicContact NZ-OE2 3.07Å; K118-E134 PolarHBondContact NZ-OE2 2.87Å
119E84.9Confident83.4Confident90 Ų9056.2 Ų56.242%0.42132%0.324SS..THydrogen-bonded Turntrans-84.9-28-178.7-75.6148.7-15600111.7Q115 T116Q115-E119 VanDerWaalsContact CA-OE2 3.28Å; Q115-E119 WeakPolarHBondContact CA-OE2 3.36Å; Q115-E119 HydrophobicContact CB-CB 4.06Å; T116-E119 PolarHBondContact N-OE2 3.43Å; T116-E119 PolarHBondContact O-N 2.93Å; T116-E119 PolarHBondContact OG1-OE1 3Å; T116-E119 VanDerWaalsContact OG1-OE1 3.13Å; T116-E119 PolarHBondContact OG1-OE2 3.01Å
120V87.6Confident83.4Confident10 Ų1054.8 Ų54.86%0.06132%0.315CS..SBendtrans-79.7-16.5176.4-59.30000113.8H86 A89 F90 Q115 T116 A117H86-V120 HydrophobicContact CB-CG2 4.19Å; A89-V120 HydrophobicContact CB-CG2 4.28Å; F90-V120 HydrophobicContact CB-CG2 4.44Å; Q115-V120 HydrophobicContact CB-CG1 3.62Å; T116-V120 PolarHBondContact O-N 3.36Å; T116-V120 VanDerWaalsContact O-N 3.13Å; A117-V120 VanDerWaalsContact O-CG2 3.28Å; A117-V120 WeakPolarHBondContact O-CG2 3.46Å
121T88.8Confident83.3Confident0 Ų054 Ų540%031%0.306CS..  trans-81139.6177.4175.40000111.4A89 K118 A123 I126 R127A89-T121 WeakPolarHBondContact O-CB 3.34Å; A89-T121 PolarHBondContact O-OG1 3.39Å; K118-T121 WeakPolarHBondContact O-CG2 3.21Å; T121-A123 PolarHBondContact OG1-N 3.21Å; T121-A123 PolarHBondContact OG1-O 2.73Å; T121-I126 HydrophobicContact CG2-CB 4.35Å; T121-I126 HydrophobicContact CG2-CG2 3.99Å; T121-R127 HydrophobicContact CG2-CB 4.03Å; T121-R127 PolarHBondContact O-NH2 2.94Å
122H84.6Confident82.9Confident152 Ų15255.6 Ų55.670%0.70432%0.322SS*.  trans-95.6-12.3168.4-59.8-62.9000112.8
123A85.5Confident83Confident35 Ų3554.8 Ų54.829%0.28930%0.303SS..  trans-84119.6179.300000111.3T121 E125 I126 R127T121-A123 PolarHBondContact OG1-N 3.21Å; T121-A123 PolarHBondContact OG1-O 2.73Å; A123-E125 VanDerWaalsContact C-N 3.3Å; A123-E125 PolarHBondContact O-N 2.82Å; A123-I126 HydrophobicContact CB-CB 4.31Å; A123-I126 HydrophobicContact CB-CD1 4.1Å; A123-I126 HydrophobicContact CB-CG1 4.18Å; A123-I126 PolarHBondContact O-N 2.62Å; A123-I126 VanDerWaalsContact O-N 3.17Å; A123-R127 PolarHBondContact O-N 3.46Å; A123-R127 VanDerWaalsContact O-N 3.11Å
124E82.9Confident83.1Confident123 Ų12352.5 Ų52.558%0.57528%0.282SS*.Hα-helixtrans-59.2-39.5-178.6-169.755.8-142.400112.5I126 R127 S128E124-I126 VanDerWaalsContact C-N 3.31Å; E124-I126 PolarHBondContact O-N 3.13Å; E124-R127 PolarHBondContact O-N 2.88Å; E124-R127 IonicContact OE2-CZ 2.88Å; E124-R127 IonicContact OE2-NH1 3.08Å; E124-R127 PolarHBondContact OE2-NH1 3.34Å; E124-S128 WeakPolarHBondContact O-CB 3.12Å; E124-S128 PolarHBondContact O-N 3.33Å
125E79.3Confident83Confident124 Ų12455.8 Ų55.858%0.57928%0.278SS*.Hα-helixtrans-62-37178.1-62.5-172.4-170.200113.2K94 A123 M129K94-E125 IonicContact NZ-OE2 2.72Å; K94-E125 PolarHBondContact NZ-OE2 3.43Å; A123-E125 VanDerWaalsContact C-N 3.3Å; A123-E125 PolarHBondContact O-N 2.82Å; E125-M129 WeakPolarHBondContact O-CB 3.4Å; E125-M129 PolarHBondContact O-N 3.24Å; E125-M129 VanDerWaalsContact O-N 3.11Å
126I86.3Confident82.6Confident2 Ų255.5 Ų55.51%0.0128%0.282CS..Hα-helixtrans-76.1-37.9179.7-66.1179000110.1A89 K94 V97 T121 A123 E124 M129 L130A89-I126 HydrophobicContact CB-CG2 4.1Å; K94-I126 HydrophobicContact CB-CD1 4.27Å; K94-I126 HydrophobicContact CB-CG1 4.2Å; V97-I126 HydrophobicContact CG1-CG2 4.18Å; V97-I126 HydrophobicContact CG2-CD1 4.25Å; V97-I126 HydrophobicContact CG2-CG2 3.98Å; T121-I126 HydrophobicContact CG2-CB 4.35Å; T121-I126 HydrophobicContact CG2-CG2 3.99Å; A123-I126 HydrophobicContact CB-CB 4.31Å; A123-I126 HydrophobicContact CB-CD1 4.1Å; A123-I126 HydrophobicContact CB-CG1 4.18Å; A123-I126 PolarHBondContact O-N 2.62Å; A123-I126 VanDerWaalsContact O-N 3.17Å; E124-I126 VanDerWaalsContact C-N 3.31Å; E124-I126 PolarHBondContact O-N 3.13Å; I126-M129 WeakPolarHBondContact O-CB 3.25Å; I126-M129 PolarHBondContact O-N 2.95Å; I126-L130 HydrophobicContact CG2-CD1 3.93Å; I126-L130 HydrophobicContact CG2-CG 4.45Å; I126-L130 WeakPolarHBondContact O-CG 3.23Å; I126-L130 PolarHBondContact O-N 3.09Å
127R87.4Confident82.1Confident63 Ų6359.6 Ų59.624%0.23830%0.3CS..Hα-helixtrans-59.8-53.5174.7-175.4179.7-63.6114.60.6110.7T121 A123 E124 M129 L130 E131T121-R127 HydrophobicContact CG2-CB 4.03Å; T121-R127 PolarHBondContact O-NH2 2.94Å; A123-R127 PolarHBondContact O-N 3.46Å; A123-R127 VanDerWaalsContact O-N 3.11Å; E124-R127 PolarHBondContact O-N 2.88Å; E124-R127 IonicContact OE2-CZ 2.88Å; E124-R127 IonicContact OE2-NH1 3.08Å; E124-R127 PolarHBondContact OE2-NH1 3.34Å; R127-M129 VanDerWaalsContact C-N 3.27Å; R127-M129 PolarHBondContact O-N 3.07Å; R127-L130 PolarHBondContact O-N 2.99Å; R127-E131 WeakPolarHBondContact O-CG 3.49Å; R127-E131 PolarHBondContact O-N 3.13Å
128S79.8Confident81.6Confident65 Ų6562.5 Ų62.546%0.45531%0.314SS..Hα-helixtrans-58.2-38.6177-176.90000112.4E124 A132E124-S128 WeakPolarHBondContact O-CB 3.12Å; E124-S128 PolarHBondContact O-N 3.33Å; S128-A132 WeakPolarHBondContact O-CB 3.48Å; S128-A132 PolarHBondContact O-N 3.37Å
129M81.7Confident81.2Confident41 Ų4166.7 Ų66.720%0.20233%0.329CS..Hα-helixtrans-63-48.2175.7-179.1-174.8-60.700112.6K94 V97 M98 L101 E125 I126 R127 A132 V133K94-M129 HydrophobicContact CD-CE 4.31Å; K94-M129 HydrophobicContact CG-CE 3.76Å; V97-M129 HydrophobicContact CG1-SD 4.07Å; M98-M129 HydrophobicContact CG-CE 3.69Å; M98-M129 HydrophobicContact CG-SD 3.58Å; M98-M129 VanDerWaalsContact CG-SD 3.58Å; M98-M129 HydrophobicContact SD-CE 3.98Å; L101-M129 HydrophobicContact CD1-SD 4.28Å; E125-M129 WeakPolarHBondContact O-CB 3.4Å; E125-M129 PolarHBondContact O-N 3.24Å; E125-M129 VanDerWaalsContact O-N 3.11Å; I126-M129 WeakPolarHBondContact O-CB 3.25Å; I126-M129 PolarHBondContact O-N 2.95Å; R127-M129 VanDerWaalsContact C-N 3.27Å; R127-M129 PolarHBondContact O-N 3.07Å; M129-A132 PolarHBondContact O-N 3.26Å; M129-V133 WeakPolarHBondContact O-CG2 3.38Å; M129-V133 PolarHBondContact O-N 3.24Å; M129-V133 VanDerWaalsContact O-N 3.1Å
130L83.1Confident81.1Confident0 Ų067.2 Ų67.20%033%0.329CS..Hα-helixtrans-66.3-39.2-179.9-70.4169.1000111.2L85 A89 V97 L101 T107 A117 K118 I126 R127 A132 V133 E134L85-L130 HydrophobicContact CD1-CD2 4.45Å; L85-L130 HydrophobicContact CD2-CD2 4.13Å; A89-L130 HydrophobicContact CB-CD1 4.37Å; V97-L130 HydrophobicContact CG1-CD2 4.13Å; V97-L130 HydrophobicContact CG1-CG 4.41Å; L101-L130 HydrophobicContact CD1-CD2 4.09Å; L101-L130 HydrophobicContact CD2-CD2 4.11Å; T107-L130 HydrophobicContact CG2-CD2 3.77Å; A117-L130 HydrophobicContact CB-CD1 4.02Å; K118-L130 HydrophobicContact CB-CB 3.89Å; K118-L130 HydrophobicContact CB-CD1 4.04Å; I126-L130 HydrophobicContact CG2-CD1 3.93Å; I126-L130 HydrophobicContact CG2-CG 4.45Å; I126-L130 WeakPolarHBondContact O-CG 3.23Å; I126-L130 PolarHBondContact O-N 3.09Å; R127-L130 PolarHBondContact O-N 2.99Å; L130-A132 PolarHBondContact O-N 3.09Å; L130-V133 PolarHBondContact O-N 3.01Å; L130-E134 WeakPolarHBondContact O-CG 3.47Å; L130-E134 PolarHBondContact O-N 3.13Å
131E81.2Confident80.9Confident62 Ų6267.5 Ų67.529%0.2933%0.33SS..Hα-helixtrans-61.1-42.2172.7-73.1176.5-171.800112.6K118 R127 V133 E134 R135K118-E131 HydrophobicContact CD-CG 4.32Å; R127-E131 WeakPolarHBondContact O-CG 3.49Å; R127-E131 PolarHBondContact O-N 3.13Å; E131-V133 VanDerWaalsContact C-N 3.31Å; E131-V133 PolarHBondContact O-N 2.86Å; E131-E134 PolarHBondContact O-N 3.08Å; E131-R135 WeakPolarHBondContact O-CG 3.33Å; E131-R135 PolarHBondContact O-N 3.4Å; E131-R135 IonicContact OE2-NH2 2.7Å
132A72.6Confident80.8Confident48 Ų4869.5 Ų69.540%0.39734%0.34SS..Hα-helixtrans-64.1-36.6177.300000112.2S128 M129 L130 T136S128-A132 WeakPolarHBondContact O-CB 3.48Å; S128-A132 PolarHBondContact O-N 3.37Å; M129-A132 PolarHBondContact O-N 3.26Å; L130-A132 PolarHBondContact O-N 3.09Å; A132-T136 WeakPolarHBondContact O-CB 3.38Å; A132-T136 PolarHBondContact O-N 2.92Å; A132-T136 PolarHBondContact O-OG1 3.3Å
133V78.5Confident81Confident50 Ų5068.5 Ų68.530%0.30334%0.336SS..Hα-helixtrans-66.8-44.6175.2172.80000110.9L101 T107 M129 L130 E131 T136 Q137L101-V133 HydrophobicContact CD1-CG2 4.19Å; L101-V133 HydrophobicContact CD2-CG1 4.37Å; T107-V133 HydrophobicContact CG2-CG1 4.12Å; M129-V133 WeakPolarHBondContact O-CG2 3.38Å; M129-V133 PolarHBondContact O-N 3.24Å; M129-V133 VanDerWaalsContact O-N 3.1Å; L130-V133 PolarHBondContact O-N 3.01Å; E131-V133 VanDerWaalsContact C-N 3.31Å; E131-V133 PolarHBondContact O-N 2.86Å; V133-T136 PolarHBondContact O-N 3.43Å; V133-Q137 PolarHBondContact O-N 2.88Å
134E77.3Confident81.2Confident45 Ų4571.4 Ų71.421%0.2135%0.346CS..Hα-helixtrans-58.5-48.9175.2-73.2175.5-175.600111.5T107 K118 L130 E131 T136 Q137 Q138T107-E134 WeakPolarHBondContact OG1-CG 3.38Å; K118-E134 IonicContact NZ-OE1 2.67Å; K118-E134 IonicContact NZ-OE2 3.07Å; K118-E134 PolarHBondContact NZ-OE2 2.87Å; L130-E134 WeakPolarHBondContact O-CG 3.47Å; L130-E134 PolarHBondContact O-N 3.13Å; E131-E134 PolarHBondContact O-N 3.08Å; E134-T136 VanDerWaalsContact C-N 3.31Å; E134-T136 PolarHBondContact O-N 3.08Å; E134-Q137 PolarHBondContact O-N 3.25Å; E134-Q138 WeakPolarHBondContact O-CB 3.24Å; E134-Q138 PolarHBondContact O-N 3.42Å
135R75.8Confident81.6Confident120 Ų12065.5 Ų65.545%0.45332%0.318SS..Hα-helixtrans-58.9-40.8176.1-70.9178.7-168.51709.2112.2E131 Q138 R139 D813E131-R135 WeakPolarHBondContact O-CG 3.33Å; E131-R135 PolarHBondContact O-N 3.4Å; E131-R135 IonicContact OE2-NH2 2.7Å; R135-Q138 PolarHBondContact O-N 3.32Å; R135-R139 WeakPolarHBondContact O-CG 3.23Å; R135-R139 PolarHBondContact O-N 2.75Å; R135-D813 IonicContact CZ-OD2 2.75Å; R135-D813 IonicContact NH1-OD2 3.67Å; R135-D813 PolarHBondContact NH1-OD2 2.85Å
136T74.3Confident82.1Confident73 Ų7360.3 Ų60.345%0.44829%0.294SS..Hα-helixtrans-66.9-40.3179.2-58.10000111.6A132 V133 E134 Q138 K140A132-T136 WeakPolarHBondContact O-CB 3.38Å; A132-T136 PolarHBondContact O-N 2.92Å; A132-T136 PolarHBondContact O-OG1 3.3Å; V133-T136 PolarHBondContact O-N 3.43Å; E134-T136 VanDerWaalsContact C-N 3.31Å; E134-T136 PolarHBondContact O-N 3.08Å; T136-Q138 VanDerWaalsContact C-N 3.34Å; T136-K140 WeakPolarHBondContact O-CG 3.23Å; T136-K140 PolarHBondContact O-N 3.2Å
137Q75.8Confident82.3Confident99 Ų9961.9 Ų61.946%0.46331%0.307SS..Hα-helixtrans-67.1-38.8177.3-170.164.110.200111.2V133 E134 K140 L141V133-Q137 PolarHBondContact O-N 2.88Å; E134-Q137 PolarHBondContact O-N 3.25Å; Q137-K140 PolarHBondContact O-N 2.93Å; Q137-L141 WeakPolarHBondContact O-CG 3.44Å; Q137-L141 PolarHBondContact O-N 2.85Å
138Q76.9Confident82.5Confident62 Ų6258.9 Ų58.929%0.2930%0.296SS..Hα-helixtrans-62.8-48.9175.7-17166.66.300112E134 R135 T136 K140 L141 E142 P166E134-Q138 WeakPolarHBondContact O-CB 3.24Å; E134-Q138 PolarHBondContact O-N 3.42Å; R135-Q138 PolarHBondContact O-N 3.32Å; T136-Q138 VanDerWaalsContact C-N 3.34Å; Q138-K140 VanDerWaalsContact C-N 3.3Å; Q138-K140 PolarHBondContact O-N 3.48Å; Q138-L141 WeakPolarHBondContact O-CB 3.37Å; Q138-L141 PolarHBondContact O-N 2.78Å; Q138-E142 WeakPolarHBondContact CG-OE1 3.33Å; Q138-E142 WeakPolarHBondContact O-CG 3.32Å; Q138-E142 PolarHBondContact O-N 3Å; Q138-P166 PolarHBondContact NE2-O 2.69Å
139R80.9Confident83.1Confident137 Ų13755.8 Ų55.852%0.51728%0.275SS..Hα-helixtrans-57.6-40177.4-74.5179-175.8174.32.1112.9R135 L141 E142 E143R135-R139 WeakPolarHBondContact O-CG 3.23Å; R135-R139 PolarHBondContact O-N 2.75Å; R139-L141 VanDerWaalsContact C-N 3.33Å; R139-L141 PolarHBondContact O-N 3.08Å; R139-E142 PolarHBondContact O-N 3.39Å; R139-E143 WeakPolarHBondContact O-CG 3.35Å; R139-E143 PolarHBondContact O-N 3.1Å
140K82.2Confident83.6Confident100 Ų10058.7 Ų58.744%0.43528%0.283SS..Hα-helixtrans-62.7-39.6175.3-74.4177.4-178.8176.80112.4T136 Q137 Q138 E142 L144T136-K140 WeakPolarHBondContact O-CG 3.23Å; T136-K140 PolarHBondContact O-N 3.2Å; Q137-K140 PolarHBondContact O-N 2.93Å; Q138-K140 VanDerWaalsContact C-N 3.3Å; Q138-K140 PolarHBondContact O-N 3.48Å; K140-E142 VanDerWaalsContact C-N 3.34Å; K140-L144 VanDerWaalsContact O-CG 3.28Å; K140-L144 WeakPolarHBondContact O-CG 3.27Å; K140-L144 PolarHBondContact O-N 3.23Å
141L83.2Confident83.9Confident16 Ų1663.7 Ų63.78%0.08431%0.307CS..Hα-helixtrans-67.3-37.8176.7-67.6172000111.2Q137 Q138 R139 L144 L145 L160 P167Q137-L141 WeakPolarHBondContact O-CG 3.44Å; Q137-L141 PolarHBondContact O-N 2.85Å; Q138-L141 WeakPolarHBondContact O-CB 3.37Å; Q138-L141 PolarHBondContact O-N 2.78Å; R139-L141 VanDerWaalsContact C-N 3.33Å; R139-L141 PolarHBondContact O-N 3.08Å; L141-L144 PolarHBondContact O-N 3.29Å; L141-L145 WeakPolarHBondContact O-CB 3.47Å; L141-L145 PolarHBondContact O-N 2.87Å; L141-L160 HydrophobicContact CD2-CD2 4.03Å; L141-P167 HydrophobicContact CB-CB 3.86Å; L141-P167 HydrophobicContact CB-CG 4.17Å
142E88.3Confident84.3Confident42 Ų4261.6 Ų61.620%0.19630%0.302CS..Hα-helixtrans-65.9-42.5174.8-70.1168-178.400112.2Q138 R139 K140 L144 L145 L146 P167 C171Q138-E142 WeakPolarHBondContact CG-OE1 3.33Å; Q138-E142 WeakPolarHBondContact O-CG 3.32Å; Q138-E142 PolarHBondContact O-N 3Å; R139-E142 PolarHBondContact O-N 3.39Å; K140-E142 VanDerWaalsContact C-N 3.34Å; E142-L144 VanDerWaalsContact C-N 3.35Å; E142-L144 PolarHBondContact O-N 2.62Å; E142-L145 WeakPolarHBondContact O-CB 3.33Å; E142-L145 PolarHBondContact O-N 3.06Å; E142-L146 WeakPolarHBondContact O-CB 3.46Å; E142-L146 WeakPolarHBondContact O-CG 3.17Å; E142-L146 PolarHBondContact O-N 3.23Å; E142-P167 HydrophobicContact CB-CB 4.5Å; E142-P167 HydrophobicContact CG-CB 3.78Å; E142-C171 HydrophobicContact CB-CB 3.82Å; E142-C171 HydrophobicContact CG-CB 3.73Å
143E87.9Confident85.2Confident132 Ų13263.1 Ų63.162%0.61730%0.3SS*.Hα-helixtrans-60.4-42.6173.2-76175.4177.900111.9R139 L145 L146 A147R139-E143 WeakPolarHBondContact O-CG 3.35Å; R139-E143 PolarHBondContact O-N 3.1Å; E143-L145 VanDerWaalsContact C-N 3.35Å; E143-L146 PolarHBondContact O-N 2.94Å; E143-A147 WeakPolarHBondContact O-CB 3.29Å; E143-A147 PolarHBondContact O-N 3.11Å
144L89.1Confident85.5Confident95 Ų9563.1 Ų63.150%0.49730%0.3SS..Hα-helixtrans-64.9-38.1174.4-71.9171.9000111.9K140 L141 E142 A147 A148 L160K140-L144 VanDerWaalsContact O-CG 3.28Å; K140-L144 WeakPolarHBondContact O-CG 3.27Å; K140-L144 PolarHBondContact O-N 3.23Å; L141-L144 PolarHBondContact O-N 3.29Å; E142-L144 VanDerWaalsContact C-N 3.35Å; E142-L144 PolarHBondContact O-N 2.62Å; L144-A147 PolarHBondContact O-N 2.98Å; L144-A148 VanDerWaalsContact O-CB 3.3Å; L144-A148 WeakPolarHBondContact O-CB 3.2Å; L144-A148 PolarHBondContact O-N 3.02Å; L144-L160 HydrophobicContact CB-CD1 3.92Å; L144-L160 HydrophobicContact CB-CD2 4.39Å
145L91.3Very high85.8Confident0 Ų066.5 Ų66.50%032%0.324CS..Hα-helixtrans-64.7-45.9176.1-177.868.2000111.3L141 E142 E143 A148 A149 L157 L160 L161 P167 P179 L195L141-L145 WeakPolarHBondContact O-CB 3.47Å; L141-L145 PolarHBondContact O-N 2.87Å; E142-L145 WeakPolarHBondContact O-CB 3.33Å; E142-L145 PolarHBondContact O-N 3.06Å; E143-L145 VanDerWaalsContact C-N 3.35Å; L145-A148 PolarHBondContact O-N 3.11Å; L145-A149 WeakPolarHBondContact O-CB 3.23Å; L145-A149 PolarHBondContact O-N 3.18Å; L145-L157 HydrophobicContact CD1-CD1 4.39Å; L145-L157 HydrophobicContact CD1-CG 3.99Å; L145-L160 HydrophobicContact CB-CD1 4.4Å; L145-L160 HydrophobicContact CD1-CB 4.46Å; L145-L161 HydrophobicContact CD1-CD1 4.37Å; L145-L161 HydrophobicContact CD1-CD2 3.89Å; L145-L161 HydrophobicContact CD1-CG 3.94Å; L145-L161 HydrophobicContact CD2-CD2 4.1Å; L145-P167 HydrophobicContact CB-CG 4.07Å; L145-P167 HydrophobicContact CD2-CB 4.35Å; L145-P167 HydrophobicContact CD2-CG 4.05Å; L145-P167 HydrophobicContact CG-CG 4.47Å; L145-P179 HydrophobicContact CD2-CG 3.88Å; L145-P179 HydrophobicContact CG-CB 4.41Å; L145-P179 HydrophobicContact CG-CG 3.98Å; L145-L195 HydrophobicContact CD1-CD2 4.42Å
146L90.7Very high86.2Confident14 Ų1465.2 Ų65.27%0.07332%0.323CS..Hα-helixtrans-59.8-44.8175.2-80.1162.1000111.5E142 E143 A149 R150 D173 P179E142-L146 WeakPolarHBondContact O-CB 3.46Å; E142-L146 WeakPolarHBondContact O-CG 3.17Å; E142-L146 PolarHBondContact O-N 3.23Å; E143-L146 PolarHBondContact O-N 2.94Å; L146-A149 PolarHBondContact O-N 3.08Å; L146-R150 VanDerWaalsContact O-CB 3.27Å; L146-R150 WeakPolarHBondContact O-CB 3.38Å; L146-R150 PolarHBondContact O-N 3.42Å; L146-D173 HydrophobicContact CD1-CB 4.31Å; L146-P179 HydrophobicContact CD2-CG 3.85Å; L146-P179 HydrophobicContact CG-CG 4.11Å
147A89.7Confident86.9Confident35 Ų3561.8 Ų61.829%0.28930%0.302SS..Hα-helixtrans-63.9-47.2177.100000111.9E143 L144 A149 R150 E151E143-A147 WeakPolarHBondContact O-CB 3.29Å; E143-A147 PolarHBondContact O-N 3.11Å; L144-A147 PolarHBondContact O-N 2.98Å; A147-A149 VanDerWaalsContact C-N 3.3Å; A147-A149 PolarHBondContact O-N 3.19Å; A147-R150 PolarHBondContact O-N 2.98Å; A147-E151 WeakPolarHBondContact O-CB 3.37Å; A147-E151 WeakPolarHBondContact O-CG 3.38Å; A147-E151 PolarHBondContact O-N 3.5Å
148A92.1Very high87Confident1 Ų159 Ų591%0.00829%0.292CS..Hα-helixtrans-61.5-38.4178.200000112.1L144 L145 G152 K153 E156 L157L144-A148 VanDerWaalsContact O-CB 3.3Å; L144-A148 WeakPolarHBondContact O-CB 3.2Å; L144-A148 PolarHBondContact O-N 3.02Å; L145-A148 PolarHBondContact O-N 3.11Å; A148-G152 PolarHBondContact O-N 2.99Å; A148-K153 HydrophobicContact CB-CB 4.3Å; A148-K153 PolarHBondContact O-N 3.16Å; A148-E156 HydrophobicContact CB-CB 4.31Å; A148-L157 HydrophobicContact CB-CB 4.02Å
149A92.4Very high87Confident0 Ų059.1 Ų59.10%030%0.303CS..Hα-helixtrans-68.4-39.817500000112.7L145 L146 A147 L157 P179 H188 L195L145-A149 WeakPolarHBondContact O-CB 3.23Å; L145-A149 PolarHBondContact O-N 3.18Å; L146-A149 PolarHBondContact O-N 3.08Å; A147-A149 VanDerWaalsContact C-N 3.3Å; A147-A149 PolarHBondContact O-N 3.19Å; A149-L157 HydrophobicContact CB-CD1 3.93Å; A149-P179 HydrophobicContact CB-CB 3.75Å; A149-P179 WeakPolarHBondContact CB-O 3.46Å; A149-H188 PolarHBondContact O-CD2 2.83Å; A149-L195 HydrophobicContact CB-CD1 4.14Å
150R92Very high86.9Confident101 Ų10153.5 Ų53.538%0.38128%0.284SS..Hα-helixtrans-70.4-33.5178.4-174.7-173.8-65167.3-2.3113.4L146 A147 D173 C182 R186 H188L146-R150 VanDerWaalsContact O-CB 3.27Å; L146-R150 WeakPolarHBondContact O-CB 3.38Å; L146-R150 PolarHBondContact O-N 3.42Å; A147-R150 PolarHBondContact O-N 2.98Å; R150-D173 IonicContact NH2-OD2 2.59Å; R150-D173 PolarHBondContact NH2-OD2 2.67Å; R150-C182 HydrophobicContact CB-CB 4.06Å; R150-R186 WeakPolarHBondContact O-CD 3.34Å; R150-R186 PolarHBondContact O-NH1 3.12Å; R150-H188 PolarHBondContact O-NE2 2.91Å
151E90.7Very high86.8Confident105 Ų10549.7 Ų49.749%0.49127%0.268SS..Hα-helixtrans-92.5-6.8-179.9-65.9179.5177.500112.8A147 K153A147-E151 WeakPolarHBondContact O-CB 3.37Å; A147-E151 WeakPolarHBondContact O-CG 3.38Å; A147-E151 PolarHBondContact O-N 3.5Å; E151-K153 VanDerWaalsContact C-N 3.34Å; E151-K153 HydrophobicContact CB-CD 4.32Å; E151-K153 HydrophobicContact CB-CG 4.05Å; E151-K153 WeakPolarHBondContact OE2-CE 3.23Å; E151-K153 IonicContact OE2-NZ 3.77Å; E151-K153 PolarHBondContact OE2-NZ 3.46Å
152G88.8Confident86.4Confident19 Ų1954 Ų5420%0.19629%0.291CS..THydrogen-bonded Turntrans75.219.8-179.500000114.1A148 T154A148-G152 PolarHBondContact O-N 2.99Å; G152-T154 PolarHBondContact O-N 3.05Å; G152-T154 PolarHBondContact O-OG1 3.38Å
153K90.9Very high85.6Confident80 Ų8057.4 Ų57.435%0.34830%0.302SS..  trans-78.281.4-178.4-65.9-179.2173.6163.10111.6A148 E151 T155 E156 L157A148-K153 HydrophobicContact CB-CB 4.3Å; A148-K153 PolarHBondContact O-N 3.16Å; E151-K153 VanDerWaalsContact C-N 3.34Å; E151-K153 HydrophobicContact CB-CD 4.32Å; E151-K153 HydrophobicContact CB-CG 4.05Å; E151-K153 WeakPolarHBondContact OE2-CE 3.23Å; E151-K153 IonicContact OE2-NZ 3.77Å; E151-K153 PolarHBondContact OE2-NZ 3.46Å; K153-T155 VanDerWaalsContact C-N 3.33Å; K153-T155 PolarHBondContact O-N 2.92Å; K153-E156 HydrophobicContact CB-CB 4.23Å; K153-E156 WeakPolarHBondContact CD-OE2 3.49Å; K153-E156 IonicContact NZ-OE2 3.28Å; K153-E156 PolarHBondContact O-N 2.94Å; K153-L157 WeakPolarHBondContact O-CB 3.24Å; K153-L157 PolarHBondContact O-N 3.17Å
154T85.8Confident83.9Confident50 Ų5057.2 Ų57.231%0.30731%0.312SS..Hα-helixtrans-63.6-33.1-173.4-44.20000113.9G152 T158 Q190G152-T154 PolarHBondContact O-N 3.05Å; G152-T154 PolarHBondContact O-OG1 3.38Å; T154-T158 VanDerWaalsContact O-CB 3.31Å; T154-T158 WeakPolarHBondContact O-CB 3.4Å; T154-T158 PolarHBondContact O-N 2.97Å; T154-T158 PolarHBondContact O-OG1 2.79Å; T154-Q190 HydrophobicContact CG2-CB 3.97Å
155T82.6Confident82.5Confident115 Ų11557.5 Ų57.571%0.70631%0.314SS*.Hα-helixtrans-69.1-47.4179.446.40000112.1K153 T158 A159K153-T155 VanDerWaalsContact C-N 3.33Å; K153-T155 PolarHBondContact O-N 2.92Å; T155-T158 PolarHBondContact O-N 3.31Å; T155-A159 WeakPolarHBondContact O-CB 3.31Å; T155-A159 PolarHBondContact O-N 3.1Å
156E84.2Confident81.6Confident94 Ų9460.5 Ų60.544%0.43933%0.333SS..Hα-helixtrans-64.1-44.9175.7-69.2177.6-162.300111.2A148 K153 T158 A159 L160A148-E156 HydrophobicContact CB-CB 4.31Å; K153-E156 HydrophobicContact CB-CB 4.23Å; K153-E156 WeakPolarHBondContact CD-OE2 3.49Å; K153-E156 IonicContact NZ-OE2 3.28Å; K153-E156 PolarHBondContact O-N 2.94Å; E156-T158 VanDerWaalsContact C-N 3.32Å; E156-T158 PolarHBondContact O-N 3.2Å; E156-A159 PolarHBondContact O-N 2.95Å; E156-L160 VanDerWaalsContact O-CG 3.3Å; E156-L160 WeakPolarHBondContact O-CG 3.27Å; E156-L160 PolarHBondContact O-N 2.84Å
157L88.5Confident81.2Confident0 Ų060 Ų600%033%0.332CS..Hα-helixtrans-58.4-43175.5-177146.8000111.9L145 A148 A149 K153 L160 L161 C191 K194 L195L145-L157 HydrophobicContact CD1-CD1 4.39Å; L145-L157 HydrophobicContact CD1-CG 3.99Å; A148-L157 HydrophobicContact CB-CB 4.02Å; A149-L157 HydrophobicContact CB-CD1 3.93Å; K153-L157 WeakPolarHBondContact O-CB 3.24Å; K153-L157 PolarHBondContact O-N 3.17Å; L157-L160 PolarHBondContact O-N 2.86Å; L157-L161 HydrophobicContact CD2-CD1 3.53Å; L157-L161 HydrophobicContact CG-CD1 4.14Å; L157-L161 WeakPolarHBondContact O-CG 3.28Å; L157-L161 PolarHBondContact O-N 3.02Å; L157-C191 HydrophobicContact CD1-CB 3.97Å; L157-K194 HydrophobicContact CD2-CB 3.86Å; L157-K194 HydrophobicContact CD2-CG 3.51Å; L157-L195 HydrophobicContact CD1-CD1 4.24Å; L157-L195 HydrophobicContact CD1-CD2 4.16Å; L157-L195 HydrophobicContact CD1-CG 4.09Å; L157-L195 HydrophobicContact CD2-CG 4.49Å
158T79.1Confident80.9Confident41 Ų4162 Ų6225%0.25234%0.337SS..Hα-helixtrans-67.4-40.7176.9-60.20000111.6T154 T155 E156 L160 L161 N162T154-T158 VanDerWaalsContact O-CB 3.31Å; T154-T158 WeakPolarHBondContact O-CB 3.4Å; T154-T158 PolarHBondContact O-N 2.97Å; T154-T158 PolarHBondContact O-OG1 2.79Å; T155-T158 PolarHBondContact O-N 3.31Å; E156-T158 VanDerWaalsContact C-N 3.32Å; E156-T158 PolarHBondContact O-N 3.2Å; T158-L160 VanDerWaalsContact C-N 3.3Å; T158-L160 PolarHBondContact O-N 3.02Å; T158-L161 PolarHBondContact O-N 2.9Å; T158-N162 VanDerWaalsContact O-CB 3.31Å; T158-N162 WeakPolarHBondContact O-CB 3.28Å; T158-N162 PolarHBondContact O-N 2.97Å; T158-N162 VanDerWaalsContact O-N 3.07Å
159A76.8Confident80.5Confident65 Ų6562.7 Ų62.754%0.53734%0.341SS..Hα-helixtrans-64-35.8176.700000112.2T155 E156 R163T155-A159 WeakPolarHBondContact O-CB 3.31Å; T155-A159 PolarHBondContact O-N 3.1Å; E156-A159 PolarHBondContact O-N 2.95Å; A159-R163 VanDerWaalsContact O-CG 3.3Å; A159-R163 WeakPolarHBondContact O-CG 3.32Å
160L79.3Confident80.3Confident19 Ų1964.6 Ų64.610%0.09935%0.351CS..Hα-helixtrans-70.4-44.5176.8-71.9167.6000112.4L141 L144 L145 E156 L157 T158 N162 R163 P167L141-L160 HydrophobicContact CD2-CD2 4.03Å; L144-L160 HydrophobicContact CB-CD1 3.92Å; L144-L160 HydrophobicContact CB-CD2 4.39Å; L145-L160 HydrophobicContact CB-CD1 4.4Å; L145-L160 HydrophobicContact CD1-CB 4.46Å; E156-L160 VanDerWaalsContact O-CG 3.3Å; E156-L160 WeakPolarHBondContact O-CG 3.27Å; E156-L160 PolarHBondContact O-N 2.84Å; L157-L160 PolarHBondContact O-N 2.86Å; T158-L160 VanDerWaalsContact C-N 3.3Å; T158-L160 PolarHBondContact O-N 3.02Å; L160-N162 VanDerWaalsContact C-N 3.32Å; L160-N162 PolarHBondContact O-N 3.4Å; L160-R163 WeakPolarHBondContact O-CD 3.41Å; L160-R163 VanDerWaalsContact O-CG 3.25Å; L160-R163 WeakPolarHBondContact O-CG 3.27Å; L160-R163 PolarHBondContact O-N 2.83Å; L160-P167 HydrophobicContact CB-CG 4.41Å; L160-P167 WeakPolarHBondContact O-CD 3.31Å
161L78.4Confident80.1Confident19 Ų1960.2 Ų60.210%0.09934%0.336CS..Hα-helixtrans-74.4-20.7-178.7-66.9172.3000113.7L145 L157 T158 V169 K194 L195L145-L161 HydrophobicContact CD1-CD1 4.37Å; L145-L161 HydrophobicContact CD1-CD2 3.89Å; L145-L161 HydrophobicContact CD1-CG 3.94Å; L145-L161 HydrophobicContact CD2-CD2 4.1Å; L157-L161 HydrophobicContact CD2-CD1 3.53Å; L157-L161 HydrophobicContact CG-CD1 4.14Å; L157-L161 WeakPolarHBondContact O-CG 3.28Å; L157-L161 PolarHBondContact O-N 3.02Å; T158-L161 PolarHBondContact O-N 2.9Å; L161-V169 HydrophobicContact CD2-CB 4.44Å; L161-V169 HydrophobicContact CD2-CG2 4.19Å; L161-K194 HydrophobicContact CD1-CG 4.11Å; L161-L195 HydrophobicContact CD1-CD2 4.23Å
162N76Confident80Confident106 Ų10658.7 Ų58.757%0.56734%0.337SS*.THydrogen-bonded Turntrans-93.510.3177.8-67.3-3.5000113T158 L160 K194T158-N162 VanDerWaalsContact O-CB 3.31Å; T158-N162 WeakPolarHBondContact O-CB 3.28Å; T158-N162 PolarHBondContact O-N 2.97Å; T158-N162 VanDerWaalsContact O-N 3.07Å; L160-N162 VanDerWaalsContact C-N 3.32Å; L160-N162 PolarHBondContact O-N 3.4Å; N162-K194 PolarHBondContact OD1-NZ 2.86Å
163R72Confident80Confident114 Ų11459.3 Ų59.343%0.4334%0.336SS..SBendtrans-69.3154.6176.5-66174.670.287.81.6110.4A159 L160 N165 P166A159-R163 VanDerWaalsContact O-CG 3.3Å; A159-R163 WeakPolarHBondContact O-CG 3.32Å; L160-R163 WeakPolarHBondContact O-CD 3.41Å; L160-R163 VanDerWaalsContact O-CG 3.25Å; L160-R163 WeakPolarHBondContact O-CG 3.27Å; L160-R163 PolarHBondContact O-N 2.83Å; R163-N165 PolarHBondContact O-N 2.94Å; R163-P166 WeakPolarHBondContact O-CD 3.27Å
164P50.8Low79.7Confident129 Ų12963.9 Ų63.984%0.83836%0.359SS*.SBendtrans-54.3-38.9173.1-24.333.2000112.7
165N60.2Low79.6Confident101 Ų10166.4 Ų66.454%0.5437%0.37SS..SBendtrans-11992.5170.2-67.6-17.1000108.4R163R163-N165 PolarHBondContact O-N 2.94Å
166P73.3Confident79.8Confident62 Ų6261.4 Ų61.440%0.40334%0.341SS..PPolyproline II helixtrans-76.4150.8-179.630.4-32.3000111.6Q138 R163Q138-P166 PolarHBondContact NE2-O 2.69Å; R163-P166 WeakPolarHBondContact O-CD 3.27Å
167P81.4Confident80.1Confident5 Ų558 Ų583%0.03233%0.326CS..PPolyproline II helixtrans-62.1154.2169.524.4-29.9000111.3L141 E142 L145 L160 V169L141-P167 HydrophobicContact CB-CB 3.86Å; L141-P167 HydrophobicContact CB-CG 4.17Å; E142-P167 HydrophobicContact CB-CB 4.5Å; E142-P167 HydrophobicContact CG-CB 3.78Å; L145-P167 HydrophobicContact CB-CG 4.07Å; L145-P167 HydrophobicContact CD2-CB 4.35Å; L145-P167 HydrophobicContact CD2-CG 4.05Å; L145-P167 HydrophobicContact CG-CG 4.47Å; L160-P167 HydrophobicContact CB-CG 4.41Å; L160-P167 WeakPolarHBondContact O-CD 3.31Å; P167-V169 PolarHBondContact O-N 2.7Å; P167-V169 VanDerWaalsContact O-N 3.14Å
168D82.8Confident80.4Confident76 Ų7658.2 Ų58.241%0.40633%0.327SS..PPolyproline II helixtrans-59.2120.7174.3177.712.7000110N170 C171D168-N170 PolarHBondContact O-N 2.82Å; D168-N170 PolarHBondContact OD1-N 2.78Å; D168-C171 HydrophobicContact CB-CB 4.31Å; D168-C171 WeakPolarHBondContact O-CB 3.31Å; D168-C171 PolarHBondContact O-N 3.06Å; D168-C171 VanDerWaalsContact O-N 3.17Å; D168-C171 PolarHBondContact O-SG 3.08Å; D168-C171 PolarHBondContact OD2-N 3.27Å
169V85.4Confident81.1Confident15 Ų1556.3 Ų56.39%0.09132%0.315CS..THydrogen-bonded Turntrans-65.3-23.5-179.873.30000112.2L161 P167 L195 A200L161-V169 HydrophobicContact CD2-CB 4.44Å; L161-V169 HydrophobicContact CD2-CG2 4.19Å; P167-V169 PolarHBondContact O-N 2.7Å; P167-V169 VanDerWaalsContact O-N 3.14Å; V169-L195 HydrophobicContact CG2-CD2 3.75Å; V169-A200 HydrophobicContact CG2-CB 3.92Å
170N87.3Confident81.9Confident41 Ų4153.2 Ų53.222%0.21929%0.29CS..THydrogen-bonded Turntrans-103.313.9178.8-67-52.5000113.2D168 G199 A200 D201 L204D168-N170 PolarHBondContact O-N 2.82Å; D168-N170 PolarHBondContact OD1-N 2.78Å; N170-G199 PolarHBondContact ND2-O 3.39Å; N170-A200 WeakPolarHBondContact OD1-CA 3.27Å; N170-D201 PolarHBondContact OD1-N 2.87Å; N170-L204 HydrophobicContact CB-CD1 3.79Å
171C88.1Confident82.5Confident8 Ų852.4 Ų52.45%0.05429%0.285CS..  trans-51.9156.1171.163.80000110.9E142 D168 T178 P179E142-C171 HydrophobicContact CB-CB 3.82Å; E142-C171 HydrophobicContact CG-CB 3.73Å; D168-C171 HydrophobicContact CB-CB 4.31Å; D168-C171 WeakPolarHBondContact O-CB 3.31Å; D168-C171 PolarHBondContact O-N 3.06Å; D168-C171 VanDerWaalsContact O-N 3.17Å; D168-C171 PolarHBondContact O-SG 3.08Å; D168-C171 PolarHBondContact OD2-N 3.27Å; C171-T178 VanDerWaalsContact O-CA 3.23Å; C171-T178 WeakPolarHBondContact O-CA 3.47Å; C171-P179 WeakPolarHBondContact O-CD 3.41Å
172S89.3Confident83.2Confident74 Ų7452 Ų5252%0.51728%0.284SS..  trans-133.4147.8-176.166.20000112.5N177S172-N177 WeakPolarHBondContact CA-O 3.44Å
173D87.3Confident84Confident32 Ų3246.9 Ų46.917%0.17126%0.257CS..  trans-79-178.1172.972.213.2000112.2L146 R150 L175 G176 N177L146-D173 HydrophobicContact CD1-CB 4.31Å; R150-D173 IonicContact NH2-OD2 2.59Å; R150-D173 PolarHBondContact NH2-OD2 2.67Å; D173-L175 PolarHBondContact O-N 3.2Å; D173-L175 WeakPolarHBondContact OD1-CA 3.38Å; D173-L175 WeakPolarHBondContact OD1-CB 3.42Å; D173-L175 PolarHBondContact OD1-N 3.46Å; D173-G176 PolarHBondContact O-N 3.14Å; D173-G176 PolarHBondContact OD1-N 2.99Å; D173-N177 PolarHBondContact N-O 3.47Å; D173-N177 WeakPolarHBondContact OD1-CB 3.31Å; D173-N177 PolarHBondContact OD1-N 2.67Å; D173-N177 PolarHBondContact OD1-ND2 3.26Å; D173-N177 PolarHBondContact OD2-ND2 2.65Å
174Q85Confident85Confident176 Ų17641.5 Ų41.582%0.82224%0.236SC*.THydrogen-bonded Turntrans-58.4-21.6-179.1-64.8178.72.500114K207Q174-K207 WeakPolarHBondContact O-CE 3.47Å; Q174-K207 PolarHBondContact O-NZ 3.44Å
175L84.8Confident86.9Confident103 Ų10341.2 Ų41.254%0.53922%0.219SC..THydrogen-bonded Turntrans-94.21.2177.4-61.4175.5000112.3D173 N177 K207D173-L175 PolarHBondContact O-N 3.2Å; D173-L175 WeakPolarHBondContact OD1-CA 3.38Å; D173-L175 WeakPolarHBondContact OD1-CB 3.42Å; D173-L175 PolarHBondContact OD1-N 3.46Å; L175-N177 VanDerWaalsContact C-N 3.32Å; L175-N177 WeakPolarHBondContact CB-ND2 3.03Å; L175-K207 WeakPolarHBondContact O-CB 3.23Å; L175-K207 WeakPolarHBondContact O-CG 3.46Å; L175-K207 PolarHBondContact O-N 2.8Å
176G85.8Confident88.3Confident10 Ų1042.6 Ų42.610%0.10322%0.217CC..SBendtrans78.113.5-174.900000113.4D173 N206D173-G176 PolarHBondContact O-N 3.14Å; D173-G176 PolarHBondContact OD1-N 2.99Å; G176-N206 WeakPolarHBondContact O-CA 3.49Å; G176-N206 WeakPolarHBondContact O-CB 3.1Å
177N90.7Very high89Confident23 Ų2341.9 Ų41.912%0.12322%0.216CC..  trans-80.4127.1177.5-60.1-56000110S172 D173 L175 H181 N206S172-N177 WeakPolarHBondContact CA-O 3.44Å; D173-N177 PolarHBondContact N-O 3.47Å; D173-N177 WeakPolarHBondContact OD1-CB 3.31Å; D173-N177 PolarHBondContact OD1-N 2.67Å; D173-N177 PolarHBondContact OD1-ND2 3.26Å; D173-N177 PolarHBondContact OD2-ND2 2.65Å; L175-N177 VanDerWaalsContact C-N 3.32Å; L175-N177 WeakPolarHBondContact CB-ND2 3.03Å; N177-H181 HydrophobicContact CB-CB 3.77Å; N177-N206 WeakPolarHBondContact OD1-CB 3.15Å; N177-N206 PolarHBondContact OD1-ND2 3.34Å
178T94Very high89.5Confident4 Ų444.1 Ų44.13%0.02523%0.226CC..  trans-78.8167.3172.571.20000112.2C171 L180 H181 C182 L204C171-T178 VanDerWaalsContact O-CA 3.23Å; C171-T178 WeakPolarHBondContact O-CA 3.47Å; T178-L180 PolarHBondContact O-N 3.08Å; T178-L180 VanDerWaalsContact O-N 3.12Å; T178-L180 PolarHBondContact OG1-N 3.13Å; T178-H181 PolarHBondContact N-ND1 3.02Å; T178-H181 VanDerWaalsContact N-ND1 3.13Å; T178-H181 WeakPolarHBondContact O-CB 3.2Å; T178-H181 PolarHBondContact O-N 3.24Å; T178-H181 PolarHBondContact OG1-N 3.46Å; T178-H181 PolarHBondContact OG1-ND1 3.33Å; T178-C182 PolarHBondContact O-N 3.36Å; T178-L204 HydrophobicContact CG2-CB 4.42Å; T178-L204 HydrophobicContact CG2-CD1 4.02Å
179P94.8Very high89.6Confident0 Ų044.5 Ų44.50%022%0.224CC..Hα-helixtrans-49.8-36168.5-30.435.4000112.4L145 L146 A149 C171 C182 A183 L195L145-P179 HydrophobicContact CD2-CG 3.88Å; L145-P179 HydrophobicContact CG-CB 4.41Å; L145-P179 HydrophobicContact CG-CG 3.98Å; L146-P179 HydrophobicContact CD2-CG 3.85Å; L146-P179 HydrophobicContact CG-CG 4.11Å; A149-P179 HydrophobicContact CB-CB 3.75Å; A149-P179 WeakPolarHBondContact CB-O 3.46Å; C171-P179 WeakPolarHBondContact O-CD 3.41Å; P179-C182 PolarHBondContact O-N 2.8Å; P179-A183 WeakPolarHBondContact O-CB 3.46Å; P179-A183 PolarHBondContact O-N 2.64Å; P179-L195 HydrophobicContact CB-CD1 3.76Å; P179-L195 HydrophobicContact CB-CD2 3.74Å; P179-L195 HydrophobicContact CB-CG 4.42Å
180L92.9Very high89.5Confident0 Ų049.2 Ų49.20%025%0.245CC..Hα-helixtrans-70.5-37.5178-170.761.1000112.6T178 A183 A184 A192 L195 L196 A200 P202 P212 L225T178-L180 PolarHBondContact O-N 3.08Å; T178-L180 VanDerWaalsContact O-N 3.12Å; T178-L180 PolarHBondContact OG1-N 3.13Å; L180-A183 PolarHBondContact O-N 3.09Å; L180-A184 WeakPolarHBondContact O-CB 3.29Å; L180-A184 PolarHBondContact O-N 3.5Å; L180-A192 HydrophobicContact CD1-CB 3.99Å; L180-L195 HydrophobicContact CD1-CB 4.34Å; L180-L196 HydrophobicContact CD1-CD2 4.41Å; L180-L196 HydrophobicContact CD1-CG 4.12Å; L180-L196 HydrophobicContact CD2-CD2 3.71Å; L180-L196 HydrophobicContact CD2-CG 4.31Å; L180-A200 HydrophobicContact CB-CB 4.26Å; L180-A200 HydrophobicContact CD2-CB 4Å; L180-P202 HydrophobicContact CD2-CB 4.08Å; L180-P212 HydrophobicContact CB-CG 4.39Å; L180-P212 HydrophobicContact CD2-CB 4.35Å; L180-P212 HydrophobicContact CD2-CG 4.14Å; L180-P212 HydrophobicContact CG-CB 4.02Å; L180-P212 HydrophobicContact CG-CG 4.09Å; L180-L225 HydrophobicContact CD1-CD2 3.92Å; L180-L225 HydrophobicContact CD2-CD2 4.09Å; L180-L225 HydrophobicContact CG-CD2 4.07Å
181H93.6Very high89.4Confident2 Ų247.3 Ų47.31%0.00924%0.235CC..Hα-helixtrans-60.1-45.9170.6-71.383.6000111.2N177 T178 A184 Y185 L204 Q210 P212 L215N177-H181 HydrophobicContact CB-CB 3.77Å; T178-H181 PolarHBondContact N-ND1 3.02Å; T178-H181 VanDerWaalsContact N-ND1 3.13Å; T178-H181 WeakPolarHBondContact O-CB 3.2Å; T178-H181 PolarHBondContact O-N 3.24Å; T178-H181 PolarHBondContact OG1-N 3.46Å; T178-H181 PolarHBondContact OG1-ND1 3.33Å; H181-A184 PolarHBondContact O-N 2.76Å; H181-Y185 VanDerWaalsContact O-CB 3.32Å; H181-Y185 WeakPolarHBondContact O-CB 3.37Å; H181-Y185 PolarHBondContact O-N 3.26Å; H181-L204 PolarHBondContact CE1-O 2.9Å; H181-L204 PolarHBondContact NE2-O 3.49Å; H181-Q210 PolarHBondContact NE2-O 2.87Å; H181-P212 WeakPolarHBondContact NE2-CD 3.45Å; H181-L215 HydrophobicContact CB-CD1 4.23Å
182C92.8Very high89.3Confident10 Ų1046.9 Ų46.97%0.06823%0.233CC..Hα-helixtrans-61.2-46.5178.9-68.20000111.9R150 T178 P179 R186R150-C182 HydrophobicContact CB-CB 4.06Å; T178-C182 PolarHBondContact O-N 3.36Å; P179-C182 PolarHBondContact O-N 2.8Å; C182-R186 PolarHBondContact O-N 2.99Å
183A93.1Very high88.9Confident0 Ų045.6 Ų45.60%022%0.22CC..Hα-helixtrans-66.3-39.8177.800000112.3P179 L180 A187 H188 C191 A192 L195P179-A183 WeakPolarHBondContact O-CB 3.46Å; P179-A183 PolarHBondContact O-N 2.64Å; L180-A183 PolarHBondContact O-N 3.09Å; A183-A187 PolarHBondContact O-N 3.26Å; A183-A187 VanDerWaalsContact O-N 3.17Å; A183-H188 HydrophobicContact CB-CB 4.33Å; A183-H188 PolarHBondContact O-N 2.67Å; A183-C191 HydrophobicContact CB-CB 4.16Å; A183-A192 HydrophobicContact CB-CB 4.23Å; A183-L195 HydrophobicContact CB-CD1 4.18Å
184A91.8Very high88.5Confident0 Ų046.3 Ų46.30%022%0.221CC..Hα-helixtrans-66.8-45.1178.500000112.2L180 H181 R186 A187 P212 A216 Q217 M221 L225L180-A184 WeakPolarHBondContact O-CB 3.29Å; L180-A184 PolarHBondContact O-N 3.5Å; H181-A184 PolarHBondContact O-N 2.76Å; A184-R186 VanDerWaalsContact C-N 3.27Å; A184-R186 PolarHBondContact O-N 2.81Å; A184-A187 PolarHBondContact O-N 3.33Å; A184-P212 HydrophobicContact CB-CB 4.12Å; A184-P212 VanDerWaalsContact CB-O 3.25Å; A184-P212 WeakPolarHBondContact CB-O 3.38Å; A184-A216 HydrophobicContact CB-CB 4.43Å; A184-A216 WeakPolarHBondContact O-CA 3.27Å; A184-Q217 PolarHBondContact O-N 3.48Å; A184-Q217 VanDerWaalsContact O-N 3.14Å; A184-M221 HydrophobicContact CB-CG 4.31Å; A184-M221 HydrophobicContact CB-SD 4.44Å; A184-L225 HydrophobicContact CB-CD1 3.74Å
185Y91.6Very high88.5Confident123 Ų12338 Ų3848%0.48218%0.182SC..Hα-helixtrans-59.7-35.7179.4178.9-109.3000113.2H181 L215 Q217H181-Y185 VanDerWaalsContact O-CB 3.32Å; H181-Y185 WeakPolarHBondContact O-CB 3.37Å; H181-Y185 PolarHBondContact O-N 3.26Å; Y185-L215 WeakPolarHBondContact CA-O 3.45Å; Y185-L215 HydrophobicContact CD2-CB 4.37Å; Y185-Q217 WeakPolarHBondContact O-CG 3.42Å; Y185-Q217 PolarHBondContact O-NE2 3.05Å; Y185-Q217 PolarHBondContact O-OE1 2.8Å
186R88.6Confident88.3Confident131 Ų13134 Ų3449%0.49416%0.161SC..THydrogen-bonded Turntrans-101.311.1-179.1-67.9-179.4166.8-138.6-3.3114.3R150 C182 A184 H188R150-R186 WeakPolarHBondContact O-CD 3.34Å; R150-R186 PolarHBondContact O-NH1 3.12Å; C182-R186 PolarHBondContact O-N 2.99Å; A184-R186 VanDerWaalsContact C-N 3.27Å; A184-R186 PolarHBondContact O-N 2.81Å; R186-H188 WeakPolarHBondContact CB-NE2 3.27Å; R186-H188 PolarHBondContact O-N 2.89Å
187A87.8Confident87.8Confident47 Ų4742.2 Ų42.239%0.38819%0.189SC..THydrogen-bonded Turntrans56.430.2-179.200000114.8A183 A184 K189 Q217 M221A183-A187 PolarHBondContact O-N 3.26Å; A183-A187 VanDerWaalsContact O-N 3.17Å; A184-A187 PolarHBondContact O-N 3.33Å; A187-K189 VanDerWaalsContact C-N 3.32Å; A187-K189 PolarHBondContact O-N 2.99Å; A187-Q217 HydrophobicContact CB-CB 4.29Å; A187-Q217 WeakPolarHBondContact CB-O 3.39Å; A187-M221 VanDerWaalsContact C-CE 3.45Å
188H91.7Very high87Confident52 Ų5243.2 Ų43.224%0.24120%0.198CC..  trans-77.477.5177.4-65.4-46.3000111.8A149 R150 A183 R186 Q190 C191 A192A149-H188 PolarHBondContact O-CD2 2.83Å; R150-H188 PolarHBondContact O-NE2 2.91Å; A183-H188 HydrophobicContact CB-CB 4.33Å; A183-H188 PolarHBondContact O-N 2.67Å; R186-H188 WeakPolarHBondContact CB-NE2 3.27Å; R186-H188 PolarHBondContact O-N 2.89Å; H188-Q190 PolarHBondContact O-N 2.86Å; H188-C191 HydrophobicContact CB-CB 4.15Å; H188-C191 PolarHBondContact O-N 3.13Å; H188-A192 PolarHBondContact O-N 3.45Å
189K86.4Confident86.1Confident84 Ų8445.2 Ų45.237%0.36522%0.219SC..Hα-helixtrans-49.5-50.5-175176.7170.5-175.6174.70114.9A187 A192 L193 E220 I224A187-K189 VanDerWaalsContact C-N 3.32Å; A187-K189 PolarHBondContact O-N 2.99Å; K189-A192 PolarHBondContact O-N 3.32Å; K189-L193 HydrophobicContact CG-CD1 4.17Å; K189-L193 WeakPolarHBondContact O-CG 3.32Å; K189-L193 PolarHBondContact O-N 2.77Å; K189-E220 IonicContact NZ-OE2 3.78Å; K189-E220 PolarHBondContact NZ-OE2 2.92Å; K189-I224 HydrophobicContact CB-CD1 4.5Å; K189-I224 HydrophobicContact CD-CD1 4.1Å; K189-I224 HydrophobicContact CG-CD1 3.61Å
190Q82.4Confident85.5Confident113 Ų11345.5 Ų45.553%0.52822%0.222SC..Hα-helixtrans-68.9-36.6-175-63.2-58.7-28.200112T154 H188 K194T154-Q190 HydrophobicContact CG2-CB 3.97Å; H188-Q190 PolarHBondContact O-N 2.86Å; Q190-K194 WeakPolarHBondContact O-CB 3.33Å; Q190-K194 PolarHBondContact O-N 3.38Å
191C86.1Confident84.9Confident1 Ų148.2 Ų48.21%0.00724%0.237CC..Hα-helixtrans-65.2-45.8172.8-63.40000111.2L157 A183 H188 L193 K194 L195L157-C191 HydrophobicContact CD1-CB 3.97Å; A183-C191 HydrophobicContact CB-CB 4.16Å; H188-C191 HydrophobicContact CB-CB 4.15Å; H188-C191 PolarHBondContact O-N 3.13Å; C191-L193 PolarHBondContact O-N 2.85Å; C191-K194 PolarHBondContact O-N 2.94Å; C191-L195 WeakPolarHBondContact O-CB 3.47Å; C191-L195 VanDerWaalsContact O-CG 3.22Å; C191-L195 WeakPolarHBondContact O-CG 3.27Å; C191-L195 PolarHBondContact O-N 3.39Å
192A86.1Confident84.4Confident0 Ų049.8 Ų49.80%025%0.247CC..Hα-helixtrans-60.3-43.717800000112.5L180 A183 H188 K189 L195 L196 M221L180-A192 HydrophobicContact CD1-CB 3.99Å; A183-A192 HydrophobicContact CB-CB 4.23Å; H188-A192 PolarHBondContact O-N 3.45Å; K189-A192 PolarHBondContact O-N 3.32Å; A192-L195 PolarHBondContact O-N 3.08Å; A192-L196 WeakPolarHBondContact O-CB 3.33Å; A192-L196 VanDerWaalsContact O-CG 3.25Å; A192-L196 WeakPolarHBondContact O-CG 3.37Å; A192-L196 PolarHBondContact O-N 3.37Å; A192-M221 HydrophobicContact CB-CE 3.85Å; A192-M221 HydrophobicContact CB-SD 3.79Å
193L79.5Confident84Confident47 Ų4753.7 Ų53.725%0.24627%0.267CS..Hα-helixtrans-63-42.4175.6-75.5169.8000112.5K189 C191 R197 I224K189-L193 HydrophobicContact CG-CD1 4.17Å; K189-L193 WeakPolarHBondContact O-CG 3.32Å; K189-L193 PolarHBondContact O-N 2.77Å; C191-L193 PolarHBondContact O-N 2.85Å; L193-R197 WeakPolarHBondContact O-CB 3.34Å; L193-R197 VanDerWaalsContact O-CG 3.24Å; L193-R197 WeakPolarHBondContact O-CG 3.48Å; L193-R197 PolarHBondContact O-N 2.97Å; L193-I224 HydrophobicContact CD1-CD1 4.49Å; L193-I224 HydrophobicContact CD2-CD1 4.44Å; L193-I224 HydrophobicContact CD2-CG1 4.37Å; L193-I224 HydrophobicContact CD2-CG2 3.77Å; L193-I224 HydrophobicContact CG-CD1 4.29Å; L193-I224 HydrophobicContact CG-CG2 4.22Å
194K80.3Confident83.6Confident47 Ų4756.8 Ų56.820%0.20428%0.283CS..Hα-helixtrans-67.5-42178.6-177.261.1179.7175.90111.5L157 L161 N162 Q190 C191 R197 S198L157-K194 HydrophobicContact CD2-CB 3.86Å; L157-K194 HydrophobicContact CD2-CG 3.51Å; L161-K194 HydrophobicContact CD1-CG 4.11Å; N162-K194 PolarHBondContact OD1-NZ 2.86Å; Q190-K194 WeakPolarHBondContact O-CB 3.33Å; Q190-K194 PolarHBondContact O-N 3.38Å; C191-K194 PolarHBondContact O-N 2.94Å; K194-R197 PolarHBondContact O-N 3.45Å; K194-S198 WeakPolarHBondContact O-CB 3.41Å; K194-S198 PolarHBondContact O-N 2.95Å; K194-S198 PolarHBondContact O-OG 2.94Å
195L83.4Confident83.5Confident0 Ų062.2 Ų62.20%031%0.307CS..Hα-helixtrans-61.1-46.6175.4-72.3167.2000111.8L145 A149 L157 L161 V169 P179 L180 A183 C191 A192 R197 S198 G199 A200L145-L195 HydrophobicContact CD1-CD2 4.42Å; A149-L195 HydrophobicContact CB-CD1 4.14Å; L157-L195 HydrophobicContact CD1-CD1 4.24Å; L157-L195 HydrophobicContact CD1-CD2 4.16Å; L157-L195 HydrophobicContact CD1-CG 4.09Å; L157-L195 HydrophobicContact CD2-CG 4.49Å; L161-L195 HydrophobicContact CD1-CD2 4.23Å; V169-L195 HydrophobicContact CG2-CD2 3.75Å; P179-L195 HydrophobicContact CB-CD1 3.76Å; P179-L195 HydrophobicContact CB-CD2 3.74Å; P179-L195 HydrophobicContact CB-CG 4.42Å; L180-L195 HydrophobicContact CD1-CB 4.34Å; A183-L195 HydrophobicContact CB-CD1 4.18Å; C191-L195 WeakPolarHBondContact O-CB 3.47Å; C191-L195 VanDerWaalsContact O-CG 3.22Å; C191-L195 WeakPolarHBondContact O-CG 3.27Å; C191-L195 PolarHBondContact O-N 3.39Å; A192-L195 PolarHBondContact O-N 3.08Å; L195-R197 PolarHBondContact O-N 2.87Å; L195-S198 CarbonylContact O-C 3.44Å; L195-S198 WeakPolarHBondContact O-CA 3.25Å; L195-S198 PolarHBondContact O-N 2.93Å; L195-S198 VanDerWaalsContact O-N 3.11Å; L195-G199 PolarHBondContact O-N 3.2Å; L195-A200 VanDerWaalsContact C-CB 3.49Å; L195-A200 HydrophobicContact CB-CB 3.9Å; L195-A200 WeakPolarHBondContact O-CB 3.36Å; L195-A200 PolarHBondContact O-N 3.4Å
196L80.8Confident83.4Confident19 Ų1956.9 Ų56.910%0.09929%0.286CS..Hα-helixtrans-62.3-41.4176.7-72.4168.3000112.4L180 A192 S198 G199 P202 I224 L225L180-L196 HydrophobicContact CD1-CD2 4.41Å; L180-L196 HydrophobicContact CD1-CG 4.12Å; L180-L196 HydrophobicContact CD2-CD2 3.71Å; L180-L196 HydrophobicContact CD2-CG 4.31Å; A192-L196 WeakPolarHBondContact O-CB 3.33Å; A192-L196 VanDerWaalsContact O-CG 3.25Å; A192-L196 WeakPolarHBondContact O-CG 3.37Å; A192-L196 PolarHBondContact O-N 3.37Å; L196-S198 PolarHBondContact O-N 2.83Å; L196-G199 PolarHBondContact O-N 2.62Å; L196-G199 VanDerWaalsContact O-N 3.17Å; L196-P202 HydrophobicContact CD2-CB 4.17Å; L196-P202 HydrophobicContact CD2-CG 4.29Å; L196-I224 HydrophobicContact CD1-CG2 3.66Å; L196-L225 HydrophobicContact CD1-CD2 4.41Å
197R75.1Confident83.5Confident183 Ų18357.9 Ų57.969%0.69130%0.295SS*.Hα-helixtrans-65.1-27.8174.3-74.1172.9-179.6179.9-1.5112.8L193 K194 L195 G199L193-R197 WeakPolarHBondContact O-CB 3.34Å; L193-R197 VanDerWaalsContact O-CG 3.24Å; L193-R197 WeakPolarHBondContact O-CG 3.48Å; L193-R197 PolarHBondContact O-N 2.97Å; K194-R197 PolarHBondContact O-N 3.45Å; L195-R197 PolarHBondContact O-N 2.87Å; R197-G199 VanDerWaalsContact C-N 3.32Å
198S75.1Confident83.5Confident44 Ų4460.9 Ų60.931%0.30830%0.304SS..THydrogen-bonded Turntrans-90.311.4175.9-68.50000113.4K194 L195 L196K194-S198 WeakPolarHBondContact O-CB 3.41Å; K194-S198 PolarHBondContact O-N 2.95Å; K194-S198 PolarHBondContact O-OG 2.94Å; L195-S198 CarbonylContact O-C 3.44Å; L195-S198 WeakPolarHBondContact O-CA 3.25Å; L195-S198 PolarHBondContact O-N 2.93Å; L195-S198 VanDerWaalsContact O-N 3.11Å; L196-S198 PolarHBondContact O-N 2.83Å
199G73.7Confident83.3Confident46 Ų4663.6 Ų63.647%0.47432%0.32SS..THydrogen-bonded Turntrans93.116.4172.500000116N170 L195 L196 R197 D201N170-G199 PolarHBondContact ND2-O 3.39Å; L195-G199 PolarHBondContact O-N 3.2Å; L196-G199 PolarHBondContact O-N 2.62Å; L196-G199 VanDerWaalsContact O-N 3.17Å; R197-G199 VanDerWaalsContact C-N 3.32Å; G199-D201 PolarHBondContact O-N 3.47Å
200A83.1Confident83.5Confident7 Ų762.9 Ų62.96%0.05832%0.318CS..  trans-63.6132.3173.700000111.7V169 N170 L180 L195 P202V169-A200 HydrophobicContact CG2-CB 3.92Å; N170-A200 WeakPolarHBondContact OD1-CA 3.27Å; L180-A200 HydrophobicContact CB-CB 4.26Å; L180-A200 HydrophobicContact CD2-CB 4Å; L195-A200 VanDerWaalsContact C-CB 3.49Å; L195-A200 HydrophobicContact CB-CB 3.9Å; L195-A200 WeakPolarHBondContact O-CB 3.36Å; L195-A200 PolarHBondContact O-N 3.4Å; A200-P202 WeakPolarHBondContact O-CD 3.31Å
201D79.3Confident83.9Confident57 Ų5760.7 Ų60.731%0.30531%0.307SS..  trans-84.5116178.2-178.33000110.8N170 G199 N203 L204N170-D201 PolarHBondContact OD1-N 2.87Å; G199-D201 PolarHBondContact O-N 3.47Å; D201-N203 PolarHBondContact O-N 3.36Å; D201-N203 WeakPolarHBondContact OD1-CB 3.47Å; D201-N203 PolarHBondContact OD1-N 3.18Å; D201-N203 PolarHBondContact OD1-ND2 2.95Å; D201-L204 HydrophobicContact CB-CD1 3.94Å; D201-L204 HydrophobicContact CB-CG 3.85Å
202P84.3Confident84Confident34 Ų3460.6 Ų60.622%0.22131%0.307CS..THydrogen-bonded Turntrans-74.4-3.5177.932.4-36.4000114L180 L196 A200 P212 L225L180-P202 HydrophobicContact CD2-CB 4.08Å; L196-P202 HydrophobicContact CD2-CB 4.17Å; L196-P202 HydrophobicContact CD2-CG 4.29Å; A200-P202 WeakPolarHBondContact O-CD 3.31Å; P202-P212 WeakPolarHBondContact O-CD 3.15Å; P202-L225 HydrophobicContact CB-CD2 4.47Å
203N83.9Confident84.1Confident93 Ų9363.1 Ų63.150%0.49732%0.32SS..THydrogen-bonded Turntrans-104-9.6-177-60.7-72000114.5D201D201-N203 PolarHBondContact O-N 3.36Å; D201-N203 WeakPolarHBondContact OD1-CB 3.47Å; D201-N203 PolarHBondContact OD1-N 3.18Å; D201-N203 PolarHBondContact OD1-ND2 2.95Å
204L85.2Confident84.5Confident64 Ų6465.7 Ų65.734%0.33533%0.333SS..  trans-58.2140.6176.7-73.3173.2000110.1N170 T178 H181 D201 P212N170-L204 HydrophobicContact CB-CD1 3.79Å; T178-L204 HydrophobicContact CG2-CB 4.42Å; T178-L204 HydrophobicContact CG2-CD1 4.02Å; H181-L204 PolarHBondContact CE1-O 2.9Å; H181-L204 PolarHBondContact NE2-O 3.49Å; D201-L204 HydrophobicContact CB-CD1 3.94Å; D201-L204 HydrophobicContact CB-CG 3.85Å; L204-P212 VanDerWaalsContact O-CD 3.3Å; L204-P212 WeakPolarHBondContact O-CD 3.36Å
205K89Confident84.9Confident115 Ų11564.8 Ų64.850%0.533%0.331SS..  trans-106.4138.8178.8-66.1179.6167.4-170.10110.1D209 Q210 K211K205-D209 VanDerWaalsContact CD-OD1 3.27Å; K205-D209 WeakPolarHBondContact CD-OD1 3.49Å; K205-D209 IonicContact NZ-OD1 2.81Å; K205-D209 PolarHBondContact NZ-OD1 2.85Å; K205-Q210 WeakPolarHBondContact CA-O 3.48Å; K205-K211 HydrophobicContact CG-CG 4.05Å
206N89.7Confident85.1Confident10 Ų1065.1 Ų65.15%0.05333%0.333CS..  trans-75.3179.916873.47.7000111.4G176 N177 N208 D209 Q210G176-N206 WeakPolarHBondContact O-CA 3.49Å; G176-N206 WeakPolarHBondContact O-CB 3.1Å; N177-N206 WeakPolarHBondContact OD1-CB 3.15Å; N177-N206 PolarHBondContact OD1-ND2 3.34Å; N206-N208 PolarHBondContact O-N 2.94Å; N206-N208 WeakPolarHBondContact OD1-CA 3.33Å; N206-N208 WeakPolarHBondContact OD1-CB 3.47Å; N206-N208 PolarHBondContact OD1-N 2.65Å; N206-D209 PolarHBondContact O-N 2.94Å; N206-D209 PolarHBondContact OD1-N 3.03Å; N206-Q210 PolarHBondContact N-O 3Å; N206-Q210 PolarHBondContact ND2-OE1 3.43Å; N206-Q210 WeakPolarHBondContact OD1-CB 3.4Å; N206-Q210 PolarHBondContact OD1-N 3.04Å; N206-Q210 PolarHBondContact OD1-O 2.78Å
207K90.3Very high85.2Confident153 Ų15369.1 Ų69.167%0.66535%0.352SS*.THydrogen-bonded Turntrans-63.7-12.9-179.5-67.9-178.9178.5175.90114.4Q174 L175Q174-K207 WeakPolarHBondContact O-CE 3.47Å; Q174-K207 PolarHBondContact O-NZ 3.44Å; L175-K207 WeakPolarHBondContact O-CB 3.23Å; L175-K207 WeakPolarHBondContact O-CG 3.46Å; L175-K207 PolarHBondContact O-N 2.8Å
208N89Confident85.3Confident109 Ų10962.8 Ų62.858%0.58334%0.343SS*.THydrogen-bonded Turntrans-97.315.7175-62.2-26.1000112.3N206 Q210N206-N208 PolarHBondContact O-N 2.94Å; N206-N208 WeakPolarHBondContact OD1-CA 3.33Å; N206-N208 WeakPolarHBondContact OD1-CB 3.47Å; N206-N208 PolarHBondContact OD1-N 2.65Å; N208-Q210 HydrophobicContact CB-CG 4Å; N208-Q210 WeakPolarHBondContact O-CG 3.35Å; N208-Q210 PolarHBondContact O-N 2.84Å
209D87.8Confident85.4Confident110 Ų11064.8 Ų64.859%0.58836%0.363SS*.SBendtrans63.916.1-177.3-96.1-53.2000114.7K205 N206K205-D209 VanDerWaalsContact CD-OD1 3.27Å; K205-D209 WeakPolarHBondContact CD-OD1 3.49Å; K205-D209 IonicContact NZ-OD1 2.81Å; K205-D209 PolarHBondContact NZ-OD1 2.85Å; N206-D209 PolarHBondContact O-N 2.94Å; N206-D209 PolarHBondContact OD1-N 3.03Å
210Q89.3Confident85.4Confident68 Ų6868.6 Ų68.632%0.31837%0.368SS..  trans-95137.1-176.6-53.7174.1-64.400111.1H181 K205 N206 N208 D214 L215H181-Q210 PolarHBondContact NE2-O 2.87Å; K205-Q210 WeakPolarHBondContact CA-O 3.48Å; N206-Q210 PolarHBondContact N-O 3Å; N206-Q210 PolarHBondContact ND2-OE1 3.43Å; N206-Q210 WeakPolarHBondContact OD1-CB 3.4Å; N206-Q210 PolarHBondContact OD1-N 3.04Å; N206-Q210 PolarHBondContact OD1-O 2.78Å; N208-Q210 HydrophobicContact CB-CG 4Å; N208-Q210 WeakPolarHBondContact O-CG 3.35Å; N208-Q210 PolarHBondContact O-N 2.84Å; Q210-D214 HydrophobicContact CB-CB 4.3Å; Q210-L215 HydrophobicContact CB-CD2 4.37Å; Q210-L215 HydrophobicContact CB-CG 4.35Å
211K90.2Very high85.3Confident67 Ų6768.6 Ų68.629%0.29137%0.367SS..  trans-86.9164.3171.2-63-178175.7-171.20111.5K205 L213 D214 L215K205-K211 HydrophobicContact CG-CG 4.05Å; K211-L213 PolarHBondContact O-N 2.78Å; K211-L213 VanDerWaalsContact O-N 3.14Å; K211-D214 WeakPolarHBondContact CB-OD2 3.42Å; K211-D214 PolarHBondContact N-OD2 2.94Å; K211-D214 WeakPolarHBondContact O-CB 3.16Å; K211-D214 PolarHBondContact O-N 3.04Å; K211-L215 PolarHBondContact O-N 3.28Å
212P89.3Confident85.4Confident0 Ų070.9 Ų70.90%037%0.374CS..Hα-helixtrans-52.4-35.8168.7-26.533.9000112.8L180 H181 A184 P202 L204 D214 L215 A216 L225L180-P212 HydrophobicContact CB-CG 4.39Å; L180-P212 HydrophobicContact CD2-CB 4.35Å; L180-P212 HydrophobicContact CD2-CG 4.14Å; L180-P212 HydrophobicContact CG-CB 4.02Å; L180-P212 HydrophobicContact CG-CG 4.09Å; H181-P212 WeakPolarHBondContact NE2-CD 3.45Å; A184-P212 HydrophobicContact CB-CB 4.12Å; A184-P212 VanDerWaalsContact CB-O 3.25Å; A184-P212 WeakPolarHBondContact CB-O 3.38Å; P202-P212 WeakPolarHBondContact O-CD 3.15Å; L204-P212 VanDerWaalsContact O-CD 3.3Å; L204-P212 WeakPolarHBondContact O-CD 3.36Å; P212-D214 VanDerWaalsContact C-N 3.35Å; P212-D214 PolarHBondContact O-N 3.04Å; P212-L215 PolarHBondContact O-N 3.45Å; P212-A216 PolarHBondContact O-N 3.1Å; P212-L225 HydrophobicContact CB-CD1 4.35Å; P212-L225 HydrophobicContact CB-CD2 4.23Å
213L88.3Confident85Confident53 Ų5375.2 Ų75.228%0.27739%0.391SS..Hα-helixtrans-64.4-36.9176.8-17960.6000113.1K211 L215 A216 K222 L225 V226K211-L213 PolarHBondContact O-N 2.78Å; K211-L213 VanDerWaalsContact O-N 3.14Å; L213-L215 VanDerWaalsContact C-N 3.29Å; L213-A216 VanDerWaalsContact O-CB 3.27Å; L213-A216 WeakPolarHBondContact O-CB 3.42Å; L213-A216 PolarHBondContact O-N 3.46Å; L213-K222 HydrophobicContact CD1-CB 4.05Å; L213-K222 HydrophobicContact CD1-CG 4.05Å; L213-L225 HydrophobicContact CB-CB 4.46Å; L213-L225 HydrophobicContact CD1-CB 4.05Å; L213-V226 HydrophobicContact CD1-CG2 3.59Å; L213-V226 HydrophobicContact CD2-CG2 3.63Å; L213-V226 HydrophobicContact CG-CG2 4.28Å
214D88.2Confident84.7Confident100 Ų10072 Ų7254%0.53537%0.373SS..Hα-helixtrans-71.3-31.4-178.6-57.8-39.8000111Q210 K211 P212Q210-D214 HydrophobicContact CB-CB 4.3Å; K211-D214 WeakPolarHBondContact CB-OD2 3.42Å; K211-D214 PolarHBondContact N-OD2 2.94Å; K211-D214 WeakPolarHBondContact O-CB 3.16Å; K211-D214 PolarHBondContact O-N 3.04Å; P212-D214 VanDerWaalsContact C-N 3.35Å; P212-D214 PolarHBondContact O-N 3.04Å
215L87.5Confident84.2Confident29 Ų2969.5 Ų69.515%0.15236%0.361CS..Hα-helixtrans-85.1-11.4175.5-61.5-177.4000113.5H181 Y185 Q210 K211 P212 L213 Q217H181-L215 HydrophobicContact CB-CD1 4.23Å; Y185-L215 WeakPolarHBondContact CA-O 3.45Å; Y185-L215 HydrophobicContact CD2-CB 4.37Å; Q210-L215 HydrophobicContact CB-CD2 4.37Å; Q210-L215 HydrophobicContact CB-CG 4.35Å; K211-L215 PolarHBondContact O-N 3.28Å; P212-L215 PolarHBondContact O-N 3.45Å; L213-L215 VanDerWaalsContact C-N 3.29Å; L215-Q217 PolarHBondContact O-N 3.36Å
216A88.1Confident83.2Confident6 Ų668.5 Ų68.55%0.0536%0.364CS..  trans-61.2120.2-171.500000113.2A184 P212 L213 M221 K222 L225A184-A216 HydrophobicContact CB-CB 4.43Å; A184-A216 WeakPolarHBondContact O-CA 3.27Å; P212-A216 PolarHBondContact O-N 3.1Å; L213-A216 VanDerWaalsContact O-CB 3.27Å; L213-A216 WeakPolarHBondContact O-CB 3.42Å; L213-A216 PolarHBondContact O-N 3.46Å; A216-M221 HydrophobicContact CB-CB 4.38Å; A216-M221 HydrophobicContact CB-CG 3.83Å; A216-K222 HydrophobicContact CB-CG 3.7Å; A216-K222 WeakPolarHBondContact O-CE 3.16Å; A216-L225 HydrophobicContact CB-CD1 3.74Å
217Q82.3Confident81.6Confident104 Ų10471.8 Ų71.849%0.48638%0.382SS..  trans-91.6123.8172.9-69.1-170.16.300111.1A184 Y185 A187 L215 M221A184-Q217 PolarHBondContact O-N 3.48Å; A184-Q217 VanDerWaalsContact O-N 3.14Å; Y185-Q217 WeakPolarHBondContact O-CG 3.42Å; Y185-Q217 PolarHBondContact O-NE2 3.05Å; Y185-Q217 PolarHBondContact O-OE1 2.8Å; A187-Q217 HydrophobicContact CB-CB 4.29Å; A187-Q217 WeakPolarHBondContact CB-O 3.39Å; L215-Q217 PolarHBondContact O-N 3.36Å; Q217-M221 WeakPolarHBondContact O-CB 3.4Å
218G78.7Confident79.6Confident50 Ų5073.1 Ų73.152%0.51539%0.387SS..SBendtrans93.8150.3177.700000115.1E220 M221 K222G218-E220 VanDerWaalsContact C-N 3.35Å; G218-E220 PolarHBondContact O-N 3.23Å; G218-M221 PolarHBondContact O-N 3.45Å; G218-K222 PolarHBondContact O-N 2.97Å
219A75.9Confident77.3Confident86 Ų8671.6 Ų71.671%0.71138%0.382SS*.Hα-helixtrans-65.6-35.8-177.700000112.8H223A219-H223 PolarHBondContact O-N 2.96Å; A219-H223 VanDerWaalsContact O-N 3.08Å
220E73.9Confident74.8Confident126 Ų12673.1 Ų73.159%0.58939%0.388SS*.Hα-helixtrans-66.3-40.8177.3-68.8-164.1178.500112.9K189 G218 H223 I224K189-E220 IonicContact NZ-OE2 3.78Å; K189-E220 PolarHBondContact NZ-OE2 2.92Å; G218-E220 VanDerWaalsContact C-N 3.35Å; G218-E220 PolarHBondContact O-N 3.23Å; E220-H223 PolarHBondContact O-N 3.42Å; E220-I224 WeakPolarHBondContact O-CG1 3.4Å; E220-I224 PolarHBondContact O-N 3.39Å; E220-I224 VanDerWaalsContact O-N 3.14Å
221M81.4Confident72.5Confident6 Ų677 Ų773%0.0340%0.401CS..Hα-helixtrans-66.1-42.1179.1-177.156.677.200111.1A184 A187 A192 A216 Q217 G218 H223 I224 L225A184-M221 HydrophobicContact CB-CG 4.31Å; A184-M221 HydrophobicContact CB-SD 4.44Å; A187-M221 VanDerWaalsContact C-CE 3.45Å; A192-M221 HydrophobicContact CB-CE 3.85Å; A192-M221 HydrophobicContact CB-SD 3.79Å; A216-M221 HydrophobicContact CB-CB 4.38Å; A216-M221 HydrophobicContact CB-CG 3.83Å; Q217-M221 WeakPolarHBondContact O-CB 3.4Å; G218-M221 PolarHBondContact O-N 3.45Å; M221-H223 VanDerWaalsContact C-N 3.3Å; M221-H223 PolarHBondContact O-N 3.05Å; M221-I224 PolarHBondContact O-N 3.47Å; M221-L225 HydrophobicContact CG-CD1 3.99Å; M221-L225 WeakPolarHBondContact O-CG 3.43Å; M221-L225 PolarHBondContact O-N 3.32Å; M221-L225 VanDerWaalsContact O-N 3.17Å; M221-L225 HydrophobicContact SD-CD1 4.14Å; M221-L225 HydrophobicContact SD-CG 4.38Å
222K81.4Confident70.1Confident105 Ų10581.8 Ų81.846%0.45742%0.422SS..Hα-helixtrans-60.1-40.9174-69.3-178178.3-171.10111.8L213 A216 G218 I224 L225 V226L213-K222 HydrophobicContact CD1-CB 4.05Å; L213-K222 HydrophobicContact CD1-CG 4.05Å; A216-K222 HydrophobicContact CB-CG 3.7Å; A216-K222 WeakPolarHBondContact O-CE 3.16Å; G218-K222 PolarHBondContact O-N 2.97Å; K222-I224 VanDerWaalsContact C-N 3.32Å; K222-I224 PolarHBondContact O-N 2.92Å; K222-L225 PolarHBondContact O-N 3.1Å; K222-V226 WeakPolarHBondContact O-CB 3.3Å; K222-V226 WeakPolarHBondContact O-CG2 3.36Å; K222-V226 PolarHBondContact O-N 3.19Å
223H76.3Confident67.9Low126 Ų12686.3 Ų86.358%0.58346%0.46SS*.Hα-helixtrans-63.8-35.2177.5-174.1-89.8000113.2A219 E220 M221 N227A219-H223 PolarHBondContact O-N 2.96Å; A219-H223 VanDerWaalsContact O-N 3.08Å; E220-H223 PolarHBondContact O-N 3.42Å; M221-H223 VanDerWaalsContact C-N 3.3Å; M221-H223 PolarHBondContact O-N 3.05Å; H223-N227 PolarHBondContact CE1-ND2 3.12Å; H223-N227 PolarHBondContact ND1-ND2 3.23Å; H223-N227 PolarHBondContact NE2-ND2 2.87Å; H223-N227 PolarHBondContact O-N 3.42Å; H223-N227 PolarHBondContact O-ND2 3.47Å
224I76.9Confident66.5Low24 Ų2485.6 Ų85.612%0.12346%0.456CS..Hα-helixtrans-69.6-36.5177.2-69.2165.4000111.7K189 L193 L196 E220 M221 K222K189-I224 HydrophobicContact CB-CD1 4.5Å; K189-I224 HydrophobicContact CD-CD1 4.1Å; K189-I224 HydrophobicContact CG-CD1 3.61Å; L193-I224 HydrophobicContact CD1-CD1 4.49Å; L193-I224 HydrophobicContact CD2-CD1 4.44Å; L193-I224 HydrophobicContact CD2-CG1 4.37Å; L193-I224 HydrophobicContact CD2-CG2 3.77Å; L193-I224 HydrophobicContact CG-CD1 4.29Å; L193-I224 HydrophobicContact CG-CG2 4.22Å; L196-I224 HydrophobicContact CD1-CG2 3.66Å; E220-I224 WeakPolarHBondContact O-CG1 3.4Å; E220-I224 PolarHBondContact O-N 3.39Å; E220-I224 VanDerWaalsContact O-N 3.14Å; M221-I224 PolarHBondContact O-N 3.47Å; K222-I224 VanDerWaalsContact C-N 3.32Å; K222-I224 PolarHBondContact O-N 2.92Å
225L74.5Confident65.3Low13 Ų1389 Ų897%0.06847%0.466CS..Hα-helixtrans-83.9-26.2-177.2-65.2166.7000113.4L180 A184 L196 P202 P212 L213 A216 M221 K222L180-L225 HydrophobicContact CD1-CD2 3.92Å; L180-L225 HydrophobicContact CD2-CD2 4.09Å; L180-L225 HydrophobicContact CG-CD2 4.07Å; A184-L225 HydrophobicContact CB-CD1 3.74Å; L196-L225 HydrophobicContact CD1-CD2 4.41Å; P202-L225 HydrophobicContact CB-CD2 4.47Å; P212-L225 HydrophobicContact CB-CD1 4.35Å; P212-L225 HydrophobicContact CB-CD2 4.23Å; L213-L225 HydrophobicContact CB-CB 4.46Å; L213-L225 HydrophobicContact CD1-CB 4.05Å; A216-L225 HydrophobicContact CB-CD1 3.74Å; M221-L225 HydrophobicContact CG-CD1 3.99Å; M221-L225 WeakPolarHBondContact O-CG 3.43Å; M221-L225 PolarHBondContact O-N 3.32Å; M221-L225 VanDerWaalsContact O-N 3.17Å; M221-L225 HydrophobicContact SD-CD1 4.14Å; M221-L225 HydrophobicContact SD-CG 4.38Å; K222-L225 PolarHBondContact O-N 3.1Å
226V69Low64.8Low93 Ų9392.2 Ų92.256%0.56448%0.476SS*.Hα-helixtrans-84.2-36.5-180171.40000112.5L213 K222 K228L213-V226 HydrophobicContact CD1-CG2 3.59Å; L213-V226 HydrophobicContact CD2-CG2 3.63Å; L213-V226 HydrophobicContact CG-CG2 4.28Å; K222-V226 WeakPolarHBondContact O-CB 3.3Å; K222-V226 WeakPolarHBondContact O-CG2 3.36Å; K222-V226 PolarHBondContact O-N 3.19Å; V226-K228 PolarHBondContact O-N 3.02Å; V226-K228 VanDerWaalsContact O-N 3.12Å
227N55.7Low64.6Low80 Ų8094.3 Ų94.343%0.42848%0.483SS..SBendtrans-74.2109.3172.8-75.2-56.4000107.9H223 V229H223-N227 PolarHBondContact CE1-ND2 3.12Å; H223-N227 PolarHBondContact ND1-ND2 3.23Å; H223-N227 PolarHBondContact NE2-ND2 2.87Å; H223-N227 PolarHBondContact O-N 3.42Å; H223-N227 PolarHBondContact O-ND2 3.47Å; N227-V229 PolarHBondContact O-N 2.9Å; N227-V229 VanDerWaalsContact O-N 3.15Å
228K48Very low64.8Low181 Ų18191.7 Ų91.779%0.78747%0.47SS*.  trans-43129.6156.2-78.4-173.9179.3-173.60106.1V226 I230V226-K228 PolarHBondContact O-N 3.02Å; V226-K228 VanDerWaalsContact O-N 3.12Å; K228-I230 PolarHBondContact O-N 3.43Å
229V41Very low65.1Low76 Ų7689.3 Ų89.346%0.46145%0.446SS..  trans-56.496155.61780000104.1N227 Y231N227-V229 PolarHBondContact O-N 2.9Å; N227-V229 VanDerWaalsContact O-N 3.15Å; V229-Y231 HydrophobicContact CB-CE2 4.49Å; V229-Y231 HydrophobicContact CG1-CD1 4.5Å; V229-Y231 HydrophobicContact CG1-CD2 4.42Å; V229-Y231 HydrophobicContact CG1-CE1 4.22Å; V229-Y231 HydrophobicContact CG1-CE2 4.15Å; V229-Y231 PolarHBondContact O-N 3.42Å
230I35.5Very low65.6Low142 Ų14287 Ų8773%0.72842%0.424SS*.  trans-66.996.1172.8-64171.8000102.7K228 K232K228-I230 PolarHBondContact O-N 3.43Å; I230-K232 PolarHBondContact O-N 3.47Å
231Y40.6Very low66.2Low149 Ų14981.1 Ų81.158%0.58440%0.396SS*.  trans-62.499.4160.6-69.2-76.2000105V229 A233V229-Y231 HydrophobicContact CB-CE2 4.49Å; V229-Y231 HydrophobicContact CG1-CD1 4.5Å; V229-Y231 HydrophobicContact CG1-CD2 4.42Å; V229-Y231 HydrophobicContact CG1-CE1 4.22Å; V229-Y231 HydrophobicContact CG1-CE2 4.15Å; V229-Y231 PolarHBondContact O-N 3.42Å; Y231-A233 PolarHBondContact O-N 2.89Å
232K39.4Very low66.2Low168 Ų16885.7 Ų85.773%0.7341%0.413SS*.  trans-46140.3166.8-104.3172.4171.9168.90107.1I230 L234I230-K232 PolarHBondContact O-N 3.47Å; K232-L234 PolarHBondContact O-N 3.46Å
233A43.6Very low66.3Low96 Ų9681.9 Ų81.979%0.79340%0.397SS*.  trans-43.9117.216400000108Y231 K235Y231-A233 PolarHBondContact O-N 2.89Å; A233-K235 PolarHBondContact O-N 2.94Å
234L57.8Low66.2Low38 Ų3877.7 Ų77.720%0.19938%0.381CS..PPolyproline II helixtrans-59.5124.5-172.8-87.8118.8000108.5K232 R236 E330 H331 Y334K232-L234 PolarHBondContact O-N 3.46Å; L234-R236 PolarHBondContact O-N 3.17Å; L234-E330 HydrophobicContact CD2-CB 4.05Å; L234-H331 HydrophobicContact CD2-CB 4.33Å; L234-H331 WeakPolarHBondContact CD2-CE1 3.25Å; L234-H331 WeakPolarHBondContact CD2-ND1 3.34Å; L234-Y334 HydrophobicContact CD1-CD1 4.11Å; L234-Y334 HydrophobicContact CD1-CD2 3.2Å; L234-Y334 HydrophobicContact CD1-CE2 3.84Å; L234-Y334 HydrophobicContact CD1-CG 3.36Å
235K62.9Low65.7Low171 Ų17179.3 Ų79.374%0.74340%0.395SS*.PPolyproline II helixtrans-76.8124.6175.8-75.4-175.6174.6-174.20107.8A233 Y237 H331A233-K235 PolarHBondContact O-N 2.94Å; K235-Y237 PolarHBondContact O-N 3.43Å; K235-H331 PolarHBondContact O-CE1 2.96Å
236R78.6Confident64.6Low97 Ų9789.6 Ų89.637%0.36643%0.433SS..PPolyproline II helixtrans-48.1125.4165.4174.8-179.7171.5148.4-6.9109.2L234 E238 V256 L257 E258 A271L234-R236 PolarHBondContact O-N 3.17Å; R236-E238 IonicContact CZ-OE2 3.26Å; R236-E238 VanDerWaalsContact CZ-OE2 3.26Å; R236-E238 IonicContact NE-OE2 3.36Å; R236-E238 PolarHBondContact NE-OE2 3.37Å; R236-E238 IonicContact NH2-OE2 2.75Å; R236-E238 PolarHBondContact NH2-OE2 2.78Å; R236-V256 HydrophobicContact CG-CG1 4.05Å; R236-L257 WeakPolarHBondContact CA-O 3.48Å; R236-E258 WeakPolarHBondContact CD-OE2 3.25Å; R236-E258 HydrophobicContact CG-CB 4.36Å; R236-E258 IonicContact CZ-OE2 2.92Å; R236-E258 IonicContact NE-OE2 3.63Å; R236-E258 IonicContact NH1-OE2 3.73Å; R236-E258 PolarHBondContact NH1-OE2 3.24Å; R236-A271 PolarHBondContact NH2-O 2.91Å
237Y83.6Confident63.8Low50 Ų5093.8 Ų93.820%0.19644%0.444CS..EExtended strand (participates in β ladder)trans-119125.3-179.9-166.4-106.8000109.5K235 L257 Q319 D323 W324 A327K235-Y237 PolarHBondContact O-N 3.43Å; Y237-L257 HydrophobicContact CD1-CD1 4.29Å; Y237-L257 PolarHBondContact N-O 2.94Å; Y237-L257 PolarHBondContact O-N 3.2Å; Y237-Q319 WeakPolarHBondContact OH-CG 3.41Å; Y237-D323 VanDerWaalsContact OH-CB 3.31Å; Y237-D323 WeakPolarHBondContact OH-CB 3.31Å; Y237-W324 AromaticContact CD1-CD2 3.99Å; Y237-W324 HydrophobicContact CD1-CD2 3.99Å; Y237-W324 AromaticContact CD1-CE3 3.85Å; Y237-W324 HydrophobicContact CD1-CE3 3.85Å; Y237-W324 HydrophobicContact CD1-CH2 4.02Å; Y237-W324 HydrophobicContact CD1-CZ2 4.13Å; Y237-W324 AromaticContact CD1-CZ3 3.88Å; Y237-W324 HydrophobicContact CD1-CZ3 3.88Å; Y237-W324 AromaticContact CE1-CD2 3.5Å; Y237-W324 HydrophobicContact CE1-CD2 3.5Å; Y237-W324 AromaticContact CE1-CE2 3.53Å; Y237-W324 AromaticContact CE1-CE3 3.86Å; Y237-W324 HydrophobicContact CE1-CE3 3.86Å; Y237-W324 AromaticContact CE1-CG 3.85Å; Y237-W324 HydrophobicContact CE1-CG 3.85Å; Y237-W324 HydrophobicContact CE1-CH2 4.26Å; Y237-W324 AromaticContact CE1-CZ2 3.92Å; Y237-W324 HydrophobicContact CE1-CZ2 3.92Å; Y237-W324 HydrophobicContact CE1-CZ3 4.23Å; Y237-W324 AromaticContact CE1-NE1 3.84Å; Y237-A327 HydrophobicContact CD1-CB 3.7Å; Y237-A327 HydrophobicContact CE1-CB 4.21Å; Y237-A327 HydrophobicContact CG-CB 3.89Å
238E86Confident63.8Low48 Ų4896.8 Ų96.822%0.22445%0.454CS..EExtended strand (participates in β ladder)trans-145.2152-174.561.7173.2-140.900113.4R236 V255 V256 Q319R236-E238 IonicContact CZ-OE2 3.26Å; R236-E238 VanDerWaalsContact CZ-OE2 3.26Å; R236-E238 IonicContact NE-OE2 3.36Å; R236-E238 PolarHBondContact NE-OE2 3.37Å; R236-E238 IonicContact NH2-OE2 2.75Å; R236-E238 PolarHBondContact NH2-OE2 2.78Å; E238-V255 CarbonylContact C-O 3.57Å; E238-V255 WeakPolarHBondContact CA-O 3.3Å; E238-V255 WeakPolarHBondContact CB-O 3.26Å; E238-V256 HydrophobicContact CB-CB 4.35Å; E238-V256 HydrophobicContact CB-CG1 4.38Å; E238-V256 HydrophobicContact CB-CG2 3.92Å; E238-Q319 PolarHBondContact O-NE2 3.16Å
239G85.6Confident64.8Low0 Ų090.1 Ų90.10%044%0.436CS..EExtended strand (participates in β ladder)trans171.2176.1177.400000114.2V255G239-V255 PolarHBondContact N-O 2.79Å; G239-V255 PolarHBondContact O-N 3.24Å
240P85.5Confident66.6Low38 Ų3891.1 Ų91.125%0.24743%0.432CS..EExtended strand (participates in β ladder)trans-81.7124.7-17631.5-32.7000112.1L252 F253 W254 P313P240-L252 HydrophobicContact CB-CD1 4.23Å; P240-F253 WeakPolarHBondContact CA-O 3.26Å; P240-W254 HydrophobicContact CB-CE3 4.12Å; P240-W254 HydrophobicContact CB-CZ3 4.17Å; P240-W254 HydrophobicContact CG-CZ3 4.14Å; P240-P313 WeakPolarHBondContact O-CD 3.24Å; P240-P313 WeakPolarHBondContact O-CG 3.28Å
241L86.1Confident68.8Low2 Ų290.2 Ų90.21%0.0142%0.419CS..EExtended strand (participates in β ladder)trans-130.2142175.3-67.3175.4000111.8F253 V255 F298 F310 V312 W324L241-F253 PolarHBondContact N-O 2.72Å; L241-F253 PolarHBondContact O-N 2.63Å; L241-V255 HydrophobicContact CB-CG2 3.83Å; L241-V255 HydrophobicContact CD1-CB 4.06Å; L241-V255 HydrophobicContact CD1-CG1 4.21Å; L241-V255 HydrophobicContact CD1-CG2 4.04Å; L241-V255 HydrophobicContact CG-CB 4.48Å; L241-V255 HydrophobicContact CG-CG2 4.27Å; L241-F298 HydrophobicContact CD1-CZ 3.99Å; L241-F298 HydrophobicContact CD2-CE1 4.35Å; L241-F310 HydrophobicContact CB-CD1 4.01Å; L241-F310 HydrophobicContact CD1-CB 4.33Å; L241-F310 HydrophobicContact CD1-CD1 4.06Å; L241-F310 HydrophobicContact CD1-CG 4.35Å; L241-V312 HydrophobicContact CD2-CB 4.42Å; L241-V312 HydrophobicContact CD2-CG2 3.91Å; L241-W324 HydrophobicContact CD1-CD2 3.85Å; L241-W324 HydrophobicContact CD1-CE3 3.87Å; L241-W324 HydrophobicContact CD1-CH2 4.02Å; L241-W324 HydrophobicContact CD1-CZ2 4Å; L241-W324 HydrophobicContact CD1-CZ3 3.94Å; L241-W324 HydrophobicContact CD2-CD2 4.42Å; L241-W324 HydrophobicContact CG-CD2 4.46Å; L241-W324 HydrophobicContact CG-CZ2 4.12Å
242W81.8Confident70.9Confident102 Ų10287 Ų8739%0.38641%0.411SS..EExtended strand (participates in β ladder)trans-80.2124169.2-69.689.2000109.3W250 R251 L252 F310 R311W242-W250 HydrophobicContact CB-CE3 3.96Å; W242-W250 HydrophobicContact CE3-CB 4.12Å; W242-W250 VanDerWaalsContact O-CZ3 3.27Å; W242-W250 WeakPolarHBondContact O-CZ3 3.27Å; W242-R251 CarbonylContact C-O 3.59Å; W242-R251 WeakPolarHBondContact CA-O 3.31Å; W242-R251 VanDerWaalsContact CE3-C 3.41Å; W242-L252 HydrophobicContact CD2-CB 4.1Å; W242-L252 HydrophobicContact CD2-CD1 3.99Å; W242-L252 HydrophobicContact CE3-CB 4.14Å; W242-L252 HydrophobicContact CG-CD1 3.94Å; W242-L252 HydrophobicContact CH2-CB 4.16Å; W242-L252 HydrophobicContact CZ2-CB 4.13Å; W242-L252 HydrophobicContact CZ2-CD1 4.35Å; W242-L252 HydrophobicContact CZ3-CB 4.18Å; W242-F310 CarbonylContact O-C 3.56Å; W242-F310 WeakPolarHBondContact O-CA 3.44Å; W242-R311 HydrophobicContact CB-CB 4.07Å; W242-R311 PolarHBondContact N-O 3.47Å; W242-R311 PolarHBondContact O-N 2.9Å
243K84.1Confident73Confident26 Ų2680.7 Ų80.711%0.11338%0.384CS..EExtended strand (participates in β ladder)trans-108.1135.6177.2-170.8175.2-171.7-81.60110.8W250 R251 F253 W264 H308 G309 F310K243-W250 WeakPolarHBondContact O-CA 3.32Å; K243-R251 PolarHBondContact N-O 2.8Å; K243-R251 PolarHBondContact O-N 2.74Å; K243-F253 HydrophobicContact CB-CD2 3.74Å; K243-F253 HydrophobicContact CB-CE2 4.06Å; K243-W264 HydrophobicContact CD-CD2 3.98Å; K243-W264 HydrophobicContact CD-CE3 4.44Å; K243-W264 HydrophobicContact CD-CG 4.26Å; K243-W264 HydrophobicContact CD-CZ2 4.35Å; K243-H308 PolarHBondContact NZ-ND1 3.23Å; K243-G309 WeakPolarHBondContact CA-O 3.48Å; K243-F310 HydrophobicContact CB-CD1 4.07Å; K243-F310 HydrophobicContact CB-CE1 3.9Å; K243-F310 HydrophobicContact CD-CE1 3.7Å; K243-F310 HydrophobicContact CD-CZ 3.91Å; K243-F310 HydrophobicContact CG-CD1 4.18Å; K243-F310 HydrophobicContact CG-CE1 3.71Å; K243-F310 HydrophobicContact CG-CZ 4.13Å
244S75Confident74.9Confident37 Ų3778.3 Ų78.326%0.25935%0.354SS..EExtended strand (participates in β ladder)trans-81.2130.5175.861.90000111.6G309S244-G309 PolarHBondContact N-O 2.97Å; S244-G309 PolarHBondContact OG-O 2.69Å
245S65.2Low76.3Confident59 Ų5976.5 Ų76.541%0.41335%0.345SS..EExtended strand (participates in β ladder)trans-112.6139.3171.3176.70000111.2F247 G249S245-F247 PolarHBondContact O-N 2.96Å; S245-G249 PolarHBondContact N-O 3.01Å; S245-G249 PolarHBondContact O-N 3.3Å
246R52.7Low77.3Confident229 Ų22968.6 Ų68.686%0.86431%0.311SS*.THydrogen-bonded Turntrans-60.8-24.3-177.6-66.9-173.1-175.4179.52.5113.5
247F51.3Low77.5Confident180 Ų18064 Ų6479%0.78929%0.294SS*.THydrogen-bonded Turntrans-113.6-19.4-174.9-64.9-77.2000115S245S245-F247 PolarHBondContact O-N 2.96Å
248F55.3Low77.2Confident144 Ų14464.9 Ų64.963%0.63230%0.3SS*.THydrogen-bonded Turntrans-132.812-170-68.8-76.2000115.2
249G69.7Low76.3Confident40 Ų4068.1 Ų68.141%0.41232%0.315SS..EExtended strand (participates in β ladder)trans73.4-155.3177.800000114S245S245-G249 PolarHBondContact N-O 3.01Å; S245-G249 PolarHBondContact O-N 3.3Å
250W79Confident75.5Confident98 Ų9868.1 Ų68.137%0.37132%0.315SS..EExtended strand (participates in β ladder)trans-84.9129.7-177.7-68.492.6000111.6W242 K243 L297 G309 R311W242-W250 HydrophobicContact CB-CE3 3.96Å; W242-W250 HydrophobicContact CE3-CB 4.12Å; W242-W250 VanDerWaalsContact O-CZ3 3.27Å; W242-W250 WeakPolarHBondContact O-CZ3 3.27Å; K243-W250 WeakPolarHBondContact O-CA 3.32Å; W250-L297 HydrophobicContact CH2-CD1 3.32Å; W250-L297 HydrophobicContact CZ2-CD1 3.74Å; W250-L297 HydrophobicContact CZ3-CD1 4.2Å; W250-G309 VanDerWaalsContact CZ3-O 3.32Å; W250-G309 WeakPolarHBondContact CZ3-O 3.4Å; W250-R311 HydrophobicContact CE3-CB 4.36Å; W250-R311 HydrophobicContact CH2-CB 4.5Å; W250-R311 HydrophobicContact CZ3-CB 4.03Å
251R81.4Confident75.1Confident123 Ų12367.8 Ų67.846%0.46431%0.312SS..EExtended strand (participates in β ladder)trans-132.9146175-68.6-174.7179.4-174.4-0.8111.4W242 K243 F253W242-R251 CarbonylContact C-O 3.59Å; W242-R251 WeakPolarHBondContact CA-O 3.31Å; W242-R251 VanDerWaalsContact CE3-C 3.41Å; K243-R251 PolarHBondContact N-O 2.8Å; K243-R251 PolarHBondContact O-N 2.74Å; R251-F253 HydrophobicContact CB-CD2 4.44Å; R251-F253 HydrophobicContact CB-CE2 3.7Å; R251-F253 HydrophobicContact CB-CZ 4.22Å; R251-F253 VanDerWaalsContact O-CD2 3.27Å; R251-F253 WeakPolarHBondContact O-CD2 3.21Å
252L84.2Confident75Confident81 Ų8167.8 Ų67.842%0.42431%0.312SS..EExtended strand (participates in β ladder)trans-82.2131.1-178.9-168.173.7000110.7P240 W242 P313P240-L252 HydrophobicContact CB-CD1 4.23Å; W242-L252 HydrophobicContact CD2-CB 4.1Å; W242-L252 HydrophobicContact CD2-CD1 3.99Å; W242-L252 HydrophobicContact CE3-CB 4.14Å; W242-L252 HydrophobicContact CG-CD1 3.94Å; W242-L252 HydrophobicContact CH2-CB 4.16Å; W242-L252 HydrophobicContact CZ2-CB 4.13Å; W242-L252 HydrophobicContact CZ2-CD1 4.35Å; W242-L252 HydrophobicContact CZ3-CB 4.18Å; L252-P313 HydrophobicContact CD1-CG 4.15Å
253F84.3Confident75.1Confident35 Ų3563.4 Ų63.415%0.15430%0.297CS..EExtended strand (participates in β ladder)trans-131.4153.5175.8-66.5-87.3000110.5P240 L241 K243 R251 V255 W264 Y265 Q278P240-F253 WeakPolarHBondContact CA-O 3.26Å; L241-F253 PolarHBondContact N-O 2.72Å; L241-F253 PolarHBondContact O-N 2.63Å; K243-F253 HydrophobicContact CB-CD2 3.74Å; K243-F253 HydrophobicContact CB-CE2 4.06Å; R251-F253 HydrophobicContact CB-CD2 4.44Å; R251-F253 HydrophobicContact CB-CE2 3.7Å; R251-F253 HydrophobicContact CB-CZ 4.22Å; R251-F253 VanDerWaalsContact O-CD2 3.27Å; R251-F253 WeakPolarHBondContact O-CD2 3.21Å; F253-V255 HydrophobicContact CB-CG2 4.4Å; F253-W264 HydrophobicContact CB-CB 4.07Å; F253-W264 AromaticContact CD1-CD1 3.89Å; F253-Y265 WeakPolarHBondContact CA-O 3.34Å; F253-Y265 WeakPolarHBondContact CB-O 3.36Å; F253-Y265 WeakPolarHBondContact CD1-O 3.21Å; F253-Q278 HydrophobicContact CE1-CB 4.28Å; F253-Q278 HydrophobicContact CE1-CG 4.2Å
254W83.6Confident75.2Confident46 Ų4663 Ų6317%0.17429%0.294CS..EExtended strand (participates in β ladder)trans-85.9116.7166.6-163.3-93.2000108.6P240 W264 Y265 Q268 A271P240-W254 HydrophobicContact CB-CE3 4.12Å; P240-W254 HydrophobicContact CB-CZ3 4.17Å; P240-W254 HydrophobicContact CG-CZ3 4.14Å; W254-W264 CarbonylContact O-C 3.4Å; W254-W264 WeakPolarHBondContact O-CA 3.22Å; W254-Y265 PolarHBondContact N-O 3.39Å; W254-Y265 PolarHBondContact O-N 2.91Å; W254-Q268 HydrophobicContact CD2-CB 3.69Å; W254-Q268 HydrophobicContact CD2-CG 3.94Å; W254-Q268 HydrophobicContact CE3-CB 3.94Å; W254-Q268 HydrophobicContact CE3-CG 4.41Å; W254-Q268 HydrophobicContact CG-CB 4.06Å; W254-Q268 HydrophobicContact CG-CG 4.45Å; W254-Q268 HydrophobicContact CH2-CB 4.46Å; W254-Q268 HydrophobicContact CH2-CG 4.15Å; W254-Q268 HydrophobicContact CZ2-CB 4.26Å; W254-Q268 VanDerWaalsContact CZ2-CD 3.41Å; W254-Q268 HydrophobicContact CZ2-CG 3.67Å; W254-Q268 VanDerWaalsContact CZ2-NE2 3.34Å; W254-Q268 HydrophobicContact CZ3-CB 4.31Å; W254-Q268 HydrophobicContact CZ3-CG 4.5Å; W254-A271 HydrophobicContact CG-CB 4.43Å
255V87.2Confident75.6Confident0 Ų061.8 Ų61.80%028%0.284CS..EExtended strand (participates in β ladder)trans-108.4137.1-173-177.80000109.3E238 G239 L241 F253 L262 S263 W264 F310 W324E238-V255 CarbonylContact C-O 3.57Å; E238-V255 WeakPolarHBondContact CA-O 3.3Å; E238-V255 WeakPolarHBondContact CB-O 3.26Å; G239-V255 PolarHBondContact N-O 2.79Å; G239-V255 PolarHBondContact O-N 3.24Å; L241-V255 HydrophobicContact CB-CG2 3.83Å; L241-V255 HydrophobicContact CD1-CB 4.06Å; L241-V255 HydrophobicContact CD1-CG1 4.21Å; L241-V255 HydrophobicContact CD1-CG2 4.04Å; L241-V255 HydrophobicContact CG-CB 4.48Å; L241-V255 HydrophobicContact CG-CG2 4.27Å; F253-V255 HydrophobicContact CB-CG2 4.4Å; V255-L262 HydrophobicContact CG1-CD1 3.36Å; V255-L262 HydrophobicContact CG1-CG 4.2Å; V255-S263 CarbonylContact C-O 3.49Å; V255-S263 WeakPolarHBondContact CA-O 3.36Å; V255-W264 HydrophobicContact CG2-CB 3.98Å; V255-F310 HydrophobicContact CG2-CE1 4.2Å; V255-W324 HydrophobicContact CB-CH2 4.05Å; V255-W324 HydrophobicContact CB-CZ3 4.45Å; V255-W324 HydrophobicContact CG1-CH2 4.12Å; V255-W324 HydrophobicContact CG1-CZ3 4.05Å
256V84.3Confident76.2Confident6 Ų666.9 Ų66.94%0.03629%0.294CS..EExtended strand (participates in β ladder)trans-127.6129.8-179.2-1760000109.1R236 E238 E258 S263 Y265 A271R236-V256 HydrophobicContact CG-CG1 4.05Å; E238-V256 HydrophobicContact CB-CB 4.35Å; E238-V256 HydrophobicContact CB-CG1 4.38Å; E238-V256 HydrophobicContact CB-CG2 3.92Å; V256-E258 HydrophobicContact CG1-CB 4.25Å; V256-S263 PolarHBondContact N-O 3.32Å; V256-S263 PolarHBondContact O-N 3.45Å; V256-Y265 HydrophobicContact CB-CE2 4.45Å; V256-Y265 HydrophobicContact CG2-CD2 4.32Å; V256-Y265 HydrophobicContact CG2-CE2 4.06Å; V256-A271 HydrophobicContact CG2-CB 3.91Å
257L81.8Confident77.3Confident0 Ų062.7 Ų62.70%028%0.282CS..EExtended strand (participates in β ladder)trans-108.5117.5170-80.4157.7000108.6R236 Y237 V261 L262 L283 W324 A327 I328 H331R236-L257 WeakPolarHBondContact CA-O 3.48Å; Y237-L257 HydrophobicContact CD1-CD1 4.29Å; Y237-L257 PolarHBondContact N-O 2.94Å; Y237-L257 PolarHBondContact O-N 3.2Å; L257-V261 WeakPolarHBondContact CA-O 3.35Å; L257-L262 HydrophobicContact CD1-CD1 4.33Å; L257-L262 HydrophobicContact CD2-CB 4.15Å; L257-L262 HydrophobicContact CD2-CD1 3.63Å; L257-L262 HydrophobicContact CG-CD1 3.66Å; L257-L283 HydrophobicContact CD2-CD1 3.29Å; L257-W324 HydrophobicContact CD1-CE3 3.63Å; L257-W324 HydrophobicContact CD1-CZ3 3.41Å; L257-W324 VanDerWaalsContact CD1-CZ3 3.41Å; L257-W324 HydrophobicContact CG-CZ3 4.14Å; L257-A327 HydrophobicContact CD1-CB 4.24Å; L257-I328 HydrophobicContact CD1-CD1 4.42Å; L257-I328 HydrophobicContact CD1-CG1 3.48Å; L257-I328 VanDerWaalsContact CD1-CG1 3.48Å; L257-I328 HydrophobicContact CD2-CG1 4.06Å; L257-I328 HydrophobicContact CG-CG1 4.4Å; L257-H331 HydrophobicContact CD2-CB 4.28Å
258E77.9Confident78.5Confident69 Ų6958.4 Ų58.432%0.32227%0.265SS..EExtended strand (participates in β ladder)trans-153.1128.9-177.2-178.1157-150.600109.2R236 V256 G260 V261R236-E258 WeakPolarHBondContact CD-OE2 3.25Å; R236-E258 HydrophobicContact CG-CB 4.36Å; R236-E258 IonicContact CZ-OE2 2.92Å; R236-E258 IonicContact NE-OE2 3.63Å; R236-E258 IonicContact NH1-OE2 3.73Å; R236-E258 PolarHBondContact NH1-OE2 3.24Å; V256-E258 HydrophobicContact CG1-CB 4.25Å; E258-G260 VanDerWaalsContact C-N 3.29Å; E258-G260 PolarHBondContact O-N 3.12Å; E258-G260 VanDerWaalsContact O-N 3.14Å; E258-V261 PolarHBondContact N-O 3.03Å; E258-V261 VanDerWaalsContact N-O 3.1Å; E258-V261 PolarHBondContact O-N 3.39Å
259H65.5Low79.2Confident116 Ų11655.2 Ų55.254%0.53726%0.259SS..THydrogen-bonded Turntrans4939.6177.5-53.1104.6000115.7V261H259-V261 VanDerWaalsContact C-N 3.33Å
260G69.9Low79.3Confident0 Ų055.2 Ų55.20%025%0.249CC..THydrogen-bonded Turntrans82.74.918000000115.4E258 L283 H331E258-G260 VanDerWaalsContact C-N 3.29Å; E258-G260 PolarHBondContact O-N 3.12Å; E258-G260 VanDerWaalsContact O-N 3.14Å; G260-L283 WeakPolarHBondContact O-CB 3.48Å; G260-L283 PolarHBondContact O-N 2.89Å; G260-H331 WeakPolarHBondContact CA-O 3.38Å
261V76.6Confident78.9Confident30 Ų3050.7 Ų50.718%0.18223%0.233CC..EExtended strand (participates in β ladder)trans-113.2131.5179.6-173.10000110.9L257 E258 H259 C280 H282L257-V261 WeakPolarHBondContact CA-O 3.35Å; E258-V261 PolarHBondContact N-O 3.03Å; E258-V261 VanDerWaalsContact N-O 3.1Å; E258-V261 PolarHBondContact O-N 3.39Å; H259-V261 VanDerWaalsContact C-N 3.33Å; V261-C280 HydrophobicContact CG1-CB 4.2Å; V261-H282 VanDerWaalsContact CG2-CE1 3.41Å; V261-H282 WeakPolarHBondContact CG2-CE1 3.43Å
262L85.1Confident78.2Confident2 Ų248.9 Ų48.91%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-99.3114.5171.7-178.373.7000109.7V255 L257 C280 K281 L283 I300 F310V255-L262 HydrophobicContact CG1-CD1 3.36Å; V255-L262 HydrophobicContact CG1-CG 4.2Å; L257-L262 HydrophobicContact CD1-CD1 4.33Å; L257-L262 HydrophobicContact CD2-CB 4.15Å; L257-L262 HydrophobicContact CD2-CD1 3.63Å; L257-L262 HydrophobicContact CG-CD1 3.66Å; L262-C280 CarbonylContact O-C 3.56Å; L262-C280 WeakPolarHBondContact O-CA 3.37Å; L262-K281 PolarHBondContact N-O 2.93Å; L262-K281 PolarHBondContact O-N 3.01Å; L262-L283 HydrophobicContact CB-CD1 4.22Å; L262-L283 HydrophobicContact CB-CD2 4.01Å; L262-L283 HydrophobicContact CB-CG 4.14Å; L262-L283 HydrophobicContact CD2-CD2 4.46Å; L262-I300 HydrophobicContact CD2-CD1 3.57Å; L262-F310 HydrophobicContact CD2-CE2 3.93Å; L262-F310 HydrophobicContact CD2-CZ 3.93Å
263S83.3Confident76.8Confident10 Ų1051.2 Ų51.27%0.0724%0.243CC..EExtended strand (participates in β ladder)trans-119.3147.5178.8-64.10000111.7V255 V256 C280V255-S263 CarbonylContact C-O 3.49Å; V255-S263 WeakPolarHBondContact CA-O 3.36Å; V256-S263 PolarHBondContact N-O 3.32Å; V256-S263 PolarHBondContact O-N 3.45Å; S263-C280 WeakPolarHBondContact OG-CB 3.08Å
264W86.7Confident75.7Confident18 Ų1854.1 Ų54.17%0.06826%0.261CS..EExtended strand (participates in β ladder)trans-132.6140.5175.862.984.1000113.9K243 F253 W254 V255 Q278 G279 K281K243-W264 HydrophobicContact CD-CD2 3.98Å; K243-W264 HydrophobicContact CD-CE3 4.44Å; K243-W264 HydrophobicContact CD-CG 4.26Å; K243-W264 HydrophobicContact CD-CZ2 4.35Å; F253-W264 HydrophobicContact CB-CB 4.07Å; F253-W264 AromaticContact CD1-CD1 3.89Å; W254-W264 CarbonylContact O-C 3.4Å; W254-W264 WeakPolarHBondContact O-CA 3.22Å; V255-W264 HydrophobicContact CG2-CB 3.98Å; W264-Q278 PolarHBondContact NE1-O 3.04Å; W264-Q278 WeakPolarHBondContact O-CB 3.45Å; W264-Q278 PolarHBondContact O-N 3.19Å; W264-G279 PolarHBondContact N-O 2.74Å; W264-K281 HydrophobicContact CH2-CG 4.07Å; W264-K281 HydrophobicContact CZ3-CG 4.14Å
265Y83.6Confident74Confident11 Ų1156 Ų564%0.04327%0.273CS..EExtended strand (participates in β ladder)trans-129.3157.8-172.3-55-96.1000110.6F253 W254 V256 D270 A271 N274 R277F253-Y265 WeakPolarHBondContact CA-O 3.34Å; F253-Y265 WeakPolarHBondContact CB-O 3.36Å; F253-Y265 WeakPolarHBondContact CD1-O 3.21Å; W254-Y265 PolarHBondContact N-O 3.39Å; W254-Y265 PolarHBondContact O-N 2.91Å; V256-Y265 HydrophobicContact CB-CE2 4.45Å; V256-Y265 HydrophobicContact CG2-CD2 4.32Å; V256-Y265 HydrophobicContact CG2-CE2 4.06Å; Y265-D270 HydrophobicContact CD1-CB 4.39Å; Y265-A271 HydrophobicContact CD1-CB 4.29Å; Y265-A271 HydrophobicContact CD2-CB 3.33Å; Y265-A271 HydrophobicContact CE2-CB 3.79Å; Y265-A271 HydrophobicContact CG-CB 3.64Å; Y265-N274 PolarHBondContact OH-OD1 3.49Å; Y265-R277 HydrophobicContact CD1-CB 4.18Å; Y265-R277 HydrophobicContact CD1-CG 4.41Å; Y265-R277 HydrophobicContact CE1-CB 3.64Å; Y265-R277 HydrophobicContact CE1-CG 3.76Å
266R76.7Confident72.6Confident166 Ų16664.4 Ų64.463%0.62631%0.306SS*.SBendtrans-70.2-35.1177.9-71.6-164-179.6-171.41.4112.5Q278R266-Q278 HydrophobicContact CG-CG 3.69Å
267K75.3Confident72Confident141 Ų14169.5 Ų69.561%0.61333%0.325SS*.SBendtrans-139.9156.6-177.7-55.5178.6-178.5175.10110.6D270 A271K267-D270 PolarHBondContact N-OD2 2.81Å; K267-D270 WeakPolarHBondContact O-CB 3.29Å; K267-D270 PolarHBondContact O-N 2.92Å; K267-A271 PolarHBondContact O-N 3.07Å
268Q77.1Confident71.7Confident91 Ų9173.3 Ų73.343%0.42534%0.343SS..Hα-helixtrans-59.4-41.6177.9-177178.115.100114.2W254 D270 A271 V272W254-Q268 HydrophobicContact CD2-CB 3.69Å; W254-Q268 HydrophobicContact CD2-CG 3.94Å; W254-Q268 HydrophobicContact CE3-CB 3.94Å; W254-Q268 HydrophobicContact CE3-CG 4.41Å; W254-Q268 HydrophobicContact CG-CB 4.06Å; W254-Q268 HydrophobicContact CG-CG 4.45Å; W254-Q268 HydrophobicContact CH2-CB 4.46Å; W254-Q268 HydrophobicContact CH2-CG 4.15Å; W254-Q268 HydrophobicContact CZ2-CB 4.26Å; W254-Q268 VanDerWaalsContact CZ2-CD 3.41Å; W254-Q268 HydrophobicContact CZ2-CG 3.67Å; W254-Q268 VanDerWaalsContact CZ2-NE2 3.34Å; W254-Q268 HydrophobicContact CZ3-CB 4.31Å; W254-Q268 HydrophobicContact CZ3-CG 4.5Å; Q268-D270 PolarHBondContact O-N 3.21Å; Q268-A271 WeakPolarHBondContact O-CB 3.49Å; Q268-A271 PolarHBondContact O-N 2.86Å; Q268-A271 VanDerWaalsContact O-N 3.1Å; Q268-V272 WeakPolarHBondContact O-CG2 3.48Å; Q268-V272 PolarHBondContact O-N 3.03Å; Q268-V272 VanDerWaalsContact O-N 3.1Å
269P70.2Confident71.3Confident77 Ų7771 Ų7150%0.534%0.337SS..Hα-helixtrans-62.3-31.4178.9-2335000113.3A271 V272 H273P269-A271 VanDerWaalsContact C-N 3.33Å; P269-V272 PolarHBondContact O-N 3.45Å; P269-H273 PolarHBondContact O-N 3.16Å; P269-H273 PolarHBondContact O-ND1 2.93Å
270D72.9Confident71.9Confident40 Ų4067.7 Ų67.721%0.21433%0.327CS..Hα-helixtrans-67.6-36177.2-57.5-20.5000110.8Y265 K267 Q268 N274 I275Y265-D270 HydrophobicContact CD1-CB 4.39Å; K267-D270 PolarHBondContact N-OD2 2.81Å; K267-D270 WeakPolarHBondContact O-CB 3.29Å; K267-D270 PolarHBondContact O-N 2.92Å; Q268-D270 PolarHBondContact O-N 3.21Å; D270-N274 CarbonylContact O-C 3.6Å; D270-N274 VanDerWaalsContact O-CA 3.3Å; D270-N274 WeakPolarHBondContact O-CA 3.36Å; D270-N274 PolarHBondContact O-N 3.43Å; D270-I275 WeakPolarHBondContact CB-O 2.87Å; D270-I275 PolarHBondContact O-N 3.41Å
271A69.9Low72.3Confident3 Ų370.4 Ų70.43%0.02534%0.338CS..Hα-helixtrans-74.3-30.2176.500000113.5R236 W254 V256 Y265 K267 Q268 P269R236-A271 PolarHBondContact NH2-O 2.91Å; W254-A271 HydrophobicContact CG-CB 4.43Å; V256-A271 HydrophobicContact CG2-CB 3.91Å; Y265-A271 HydrophobicContact CD1-CB 4.29Å; Y265-A271 HydrophobicContact CD2-CB 3.33Å; Y265-A271 HydrophobicContact CE2-CB 3.79Å; Y265-A271 HydrophobicContact CG-CB 3.64Å; K267-A271 PolarHBondContact O-N 3.07Å; Q268-A271 WeakPolarHBondContact O-CB 3.49Å; Q268-A271 PolarHBondContact O-N 2.86Å; Q268-A271 VanDerWaalsContact O-N 3.1Å; P269-A271 VanDerWaalsContact C-N 3.33Å
272V66.5Low72.1Confident84 Ų8473.4 Ų73.451%0.50935%0.35SS..Hα-helixtrans-72.9-38.6177.4172.90000111.2Q268 P269Q268-V272 WeakPolarHBondContact O-CG2 3.48Å; Q268-V272 PolarHBondContact O-N 3.03Å; Q268-V272 VanDerWaalsContact O-N 3.1Å; P269-V272 PolarHBondContact O-N 3.45Å
273H55Low71.6Confident130 Ų13073.3 Ų73.360%0.60235%0.35SS*.THydrogen-bonded Turntrans-95.70.2179.5-57.289.4000113.3P269 I275P269-H273 PolarHBondContact O-N 3.16Å; P269-H273 PolarHBondContact O-ND1 2.93Å; H273-I275 VanDerWaalsContact C-N 3.34Å; H273-I275 HydrophobicContact CB-CD1 3.54Å; H273-I275 HydrophobicContact CB-CG1 3.59Å; H273-I275 WeakPolarHBondContact O-CG1 3.46Å; H273-I275 PolarHBondContact O-N 2.87Å
274N60.2Low70.9Confident97 Ų9774 Ų7452%0.51935%0.353SS..THydrogen-bonded Turntrans51.645.1-176-165.923.1000114.1Y265 D270Y265-N274 PolarHBondContact OH-OD1 3.49Å; D270-N274 CarbonylContact O-C 3.6Å; D270-N274 VanDerWaalsContact O-CA 3.3Å; D270-N274 WeakPolarHBondContact O-CA 3.36Å; D270-N274 PolarHBondContact O-N 3.43Å
275I49.3Very low69.9Low84 Ų8478.6 Ų78.643%0.43138%0.376SS..  trans-114.7143.6-177.8-32.4175.4000108.6D270 H273 R277D270-I275 WeakPolarHBondContact CB-O 2.87Å; D270-I275 PolarHBondContact O-N 3.41Å; H273-I275 VanDerWaalsContact C-N 3.34Å; H273-I275 HydrophobicContact CB-CD1 3.54Å; H273-I275 HydrophobicContact CB-CG1 3.59Å; H273-I275 WeakPolarHBondContact O-CG1 3.46Å; H273-I275 PolarHBondContact O-N 2.87Å; I275-R277 PolarHBondContact O-N 3.33Å
276Y56Low69.5Low177 Ų17778.6 Ų78.669%0.69438%0.378SS*.SBendtrans59.537.9176.9-51-72.3000115.4Q278Y276-Q278 PolarHBondContact O-N 2.91Å; Y276-Q278 PolarHBondContact O-NE2 2.99Å
277R72.4Confident69.3Low114 Ų11474.8 Ų74.843%0.4337%0.373SS..  trans-53.9126.5175.1-169.4165.469.2-176.3-0.6111Y265 I275 C280Y265-R277 HydrophobicContact CD1-CB 4.18Å; Y265-R277 HydrophobicContact CD1-CG 4.41Å; Y265-R277 HydrophobicContact CE1-CB 3.64Å; Y265-R277 HydrophobicContact CE1-CG 3.76Å; I275-R277 PolarHBondContact O-N 3.33Å; R277-C280 VanDerWaalsContact CZ-SG 3.55Å
278Q75Confident69.5Low80 Ų8070.1 Ų70.137%0.37436%0.358SS..  trans-90.6-11.8-176.9-58.9-67.2-79.400112.6F253 W264 R266 Y276F253-Q278 HydrophobicContact CE1-CB 4.28Å; F253-Q278 HydrophobicContact CE1-CG 4.2Å; W264-Q278 PolarHBondContact NE1-O 3.04Å; W264-Q278 WeakPolarHBondContact O-CB 3.45Å; W264-Q278 PolarHBondContact O-N 3.19Å; R266-Q278 HydrophobicContact CG-CG 3.69Å; Y276-Q278 PolarHBondContact O-N 2.91Å; Y276-Q278 PolarHBondContact O-NE2 2.99Å
279G71.1Confident69.5Low20 Ų2069.2 Ų69.221%0.20636%0.358CS..EExtended strand (participates in β ladder)trans164.1156.2172.700000111.4W264W264-G279 PolarHBondContact N-O 2.74Å
280C77.6Confident69.9Low47 Ų4769.3 Ų69.332%0.31836%0.358SS..EExtended strand (participates in β ladder)trans-142.8155.3175.357.80000110.5V261 L262 S263 R277V261-C280 HydrophobicContact CG1-CB 4.2Å; L262-C280 CarbonylContact O-C 3.56Å; L262-C280 WeakPolarHBondContact O-CA 3.37Å; S263-C280 WeakPolarHBondContact OG-CB 3.08Å; R277-C280 VanDerWaalsContact CZ-SG 3.55Å
281K77Confident69.6Low56 Ų5673.3 Ų73.324%0.24337%0.373CS..EExtended strand (participates in β ladder)trans-142.5134.1174.8-71.1-64179.1-175.80110.7L262 W264 D304 H308L262-K281 PolarHBondContact N-O 2.93Å; L262-K281 PolarHBondContact O-N 3.01Å; W264-K281 HydrophobicContact CH2-CG 4.07Å; W264-K281 HydrophobicContact CZ3-CG 4.14Å; K281-D304 IonicContact NZ-OD2 3.64Å; K281-D304 PolarHBondContact NZ-OD2 3.19Å; K281-H308 WeakPolarHBondContact CE-NE2 3.49Å
282H72.6Confident68.9Low94 Ų9479.5 Ų79.544%0.43542%0.416SS..EExtended strand (participates in β ladder)trans-69.7142167.1-89.5-91.4000110.1V261V261-H282 VanDerWaalsContact CG2-CE1 3.41Å; V261-H282 WeakPolarHBondContact CG2-CE1 3.43Å
283L75.9Confident68.4Low0 Ų081.8 Ų81.80%043%0.431CS..  trans-97.611-178.9-63.5177.2000113.2L257 G260 L262 Q285 A286 I300 I328 H331 S332L257-L283 HydrophobicContact CD2-CD1 3.29Å; G260-L283 WeakPolarHBondContact O-CB 3.48Å; G260-L283 PolarHBondContact O-N 2.89Å; L262-L283 HydrophobicContact CB-CD1 4.22Å; L262-L283 HydrophobicContact CB-CD2 4.01Å; L262-L283 HydrophobicContact CB-CG 4.14Å; L262-L283 HydrophobicContact CD2-CD2 4.46Å; L283-Q285 PolarHBondContact O-N 3.45Å; L283-Q285 VanDerWaalsContact O-N 3.12Å; L283-A286 HydrophobicContact CB-CB 4.05Å; L283-A286 HydrophobicContact CD2-CB 3.82Å; L283-A286 VanDerWaalsContact O-CB 3.29Å; L283-A286 WeakPolarHBondContact O-CB 3.42Å; L283-A286 PolarHBondContact O-N 2.87Å; L283-I300 HydrophobicContact CD2-CG2 4.11Å; L283-I328 HydrophobicContact CD1-CG2 4.09Å; L283-I328 HydrophobicContact CD2-CG2 4.39Å; L283-H331 HydrophobicContact CD1-CB 4.03Å; L283-S332 WeakPolarHBondContact O-CA 3.46Å; L283-S332 VanDerWaalsContact O-CB 3.28Å; L283-S332 WeakPolarHBondContact O-CB 3.24Å; L283-S332 PolarHBondContact O-OG 3.37Å
284T68.6Low69Low23 Ų2377.1 Ų77.114%0.14141%0.41CS..THydrogen-bonded Turntrans-50119.6170.7-570000109.1A286 F303 S335 C339T284-A286 PolarHBondContact O-N 2.82Å; T284-A286 VanDerWaalsContact O-N 3.07Å; T284-F303 WeakPolarHBondContact O-CB 3.34Å; T284-S335 PolarHBondContact N-OG 2.98Å; T284-S335 PolarHBondContact OG1-OG 3.48Å; T284-C339 HydrophobicContact CG2-CB 4.04Å
285Q65.2Low69.4Low115 Ų11576.4 Ų76.454%0.53741%0.413SS..THydrogen-bonded Turntrans53.123.9-176.4-57.4179.4-3.100115.5L283 V287 F303 T336L283-Q285 PolarHBondContact O-N 3.45Å; L283-Q285 VanDerWaalsContact O-N 3.12Å; Q285-V287 PolarHBondContact O-N 3.46Å; Q285-F303 HydrophobicContact CB-CD2 4.44Å; Q285-T336 HydrophobicContact CG-CG2 3.7Å; Q285-T336 PolarHBondContact N-OG1 3.11Å
286A74.1Confident70.5Confident12 Ų1273.5 Ų73.510%0.09940%0.4CS..  trans-69.8132.9179.800000112L283 T284 I300 K301 S332L283-A286 HydrophobicContact CB-CB 4.05Å; L283-A286 HydrophobicContact CD2-CB 3.82Å; L283-A286 VanDerWaalsContact O-CB 3.29Å; L283-A286 WeakPolarHBondContact O-CB 3.42Å; L283-A286 PolarHBondContact O-N 2.87Å; T284-A286 PolarHBondContact O-N 2.82Å; T284-A286 VanDerWaalsContact O-N 3.07Å; A286-I300 HydrophobicContact CB-CG2 4.1Å; A286-K301 CarbonylContact C-O 3.44Å; A286-K301 VanDerWaalsContact CA-O 3.26Å; A286-K301 WeakPolarHBondContact CA-O 3.49Å; A286-S332 PolarHBondContact N-OG 2.61Å; A286-S332 PolarHBondContact O-OG 3.09Å
287V73Confident71.7Confident85 Ų8566 Ų6652%0.51537%0.372SS..EExtended strand (participates in β ladder)trans-109.3122.1-178.8-177.90000110.2Q285 T289 K301Q285-V287 PolarHBondContact O-N 3.46Å; V287-T289 HydrophobicContact CG1-CG2 4.4Å; V287-K301 PolarHBondContact N-O 2.97Å; V287-K301 PolarHBondContact O-N 3.12Å
288C79.9Confident72.2Confident44 Ų4460.6 Ų60.630%0.29735%0.351SS..EExtended strand (participates in β ladder)trans-86.4131.2173-71.70000111F299 L325 I328C288-F299 CarbonylContact C-O 3.51Å; C288-F299 WeakPolarHBondContact CA-O 3.44Å; C288-L325 HydrophobicContact CB-CD2 3.71Å; C288-I328 WeakPolarHBondContact SG-CG2 3.46Å
289T76.9Confident72.5Confident71 Ų7158.8 Ų58.844%0.43634%0.342SS..EExtended strand (participates in β ladder)trans-123.2135.117556.30000110.7V287 F299V287-T289 HydrophobicContact CG1-CG2 4.4Å; T289-F299 PolarHBondContact N-O 3.28Å; T289-F299 PolarHBondContact O-N 3.26Å; T289-F299 WeakPolarHBondContact OG1-CB 3.4Å
290V79.9Confident73Confident80 Ų8057.9 Ų57.949%0.48533%0.332SS..EExtended strand (participates in β ladder)trans-119.4142.9179.6-77.10000110.5F298 L325V290-F298 HydrophobicContact CG1-CB 3.92Å; V290-L325 HydrophobicContact CG1-CD1 3.58Å; V290-L325 HydrophobicContact CG1-CD2 4.26Å
291K66.6Low73.1Confident123 Ų12359.9 Ų59.954%0.53534%0.336SS..  trans-96.2129.9171-71.2-173.2176.3-176.20109.2T293 D294 F299K291-T293 PolarHBondContact O-N 3.42Å; K291-T293 VanDerWaalsContact O-N 3.12Å; K291-D294 PolarHBondContact O-N 2.82Å; K291-F299 HydrophobicContact CD-CE2 4.34Å; K291-F299 HydrophobicContact CG-CE2 4.49Å
292S53.4Low73Confident134 Ų13457.4 Ų57.494%0.93733%0.326SS*.THydrogen-bonded Turntrans-65.2-12.6-175.236.60000114.9
293T56.9Low72.7Confident132 Ų13259.8 Ų59.881%0.8134%0.335SS*.THydrogen-bonded Turntrans-95.6-10.7-17752.20000115K291K291-T293 PolarHBondContact O-N 3.42Å; K291-T293 VanDerWaalsContact O-N 3.12Å
294D68.3Low72.2Confident32 Ų3263.5 Ų63.517%0.17136%0.355CS..  trans-136.4107.3-179-171.5-16.7000111.2K291 C296 L297 R311 R321K291-D294 PolarHBondContact O-N 2.82Å; D294-C296 PolarHBondContact O-N 3.21Å; D294-C296 VanDerWaalsContact O-N 3.12Å; D294-C296 PolarHBondContact OD1-N 3.11Å; D294-L297 HydrophobicContact CB-CB 4.14Å; D294-L297 PolarHBondContact O-N 2.78Å; D294-R311 IonicContact OD2-CZ 3.4Å; D294-R311 IonicContact OD2-NE 3.04Å; D294-R311 PolarHBondContact OD2-NE 3.09Å; D294-R311 IonicContact OD2-NH2 3.68Å; D294-R311 PolarHBondContact OD2-NH2 3.4Å; D294-R321 PolarHBondContact O-NH1 3.02Å
295S66.8Low71.9Confident82 Ų8267.6 Ų67.657%0.57338%0.376SS*.THydrogen-bonded Turntrans-68.9-5.1-176.661.20000114.4R321S295-R321 WeakPolarHBondContact O-CB 3.28Å; S295-R321 WeakPolarHBondContact O-CD 3.34Å; S295-R321 PolarHBondContact O-NE 2.92Å
296C73.9Confident72.2Confident23 Ų2363.8 Ų63.816%0.15536%0.36CS..THydrogen-bonded Turntrans-112.3-5.7-177.7-60.80000113.7D294 R311 V312D294-C296 PolarHBondContact O-N 3.21Å; D294-C296 VanDerWaalsContact O-N 3.12Å; D294-C296 PolarHBondContact OD1-N 3.11Å; C296-R311 HydrophobicContact CB-CG 4.11Å; C296-R311 CarbonylContact O-C 3.6Å; C296-R311 VanDerWaalsContact O-CA 3.26Å; C296-R311 WeakPolarHBondContact O-CA 3.38Å; C296-R311 WeakPolarHBondContact O-CG 3.4Å; C296-V312 PolarHBondContact O-N 2.85Å
297L80Confident72.4Confident20 Ų2067.8 Ų67.811%0.10538%0.379CS..EExtended strand (participates in β ladder)trans-110.4135.3-171.9-177.571.5000111.8W250 D294 F299 R311W250-L297 HydrophobicContact CH2-CD1 3.32Å; W250-L297 HydrophobicContact CZ2-CD1 3.74Å; W250-L297 HydrophobicContact CZ3-CD1 4.2Å; D294-L297 HydrophobicContact CB-CB 4.14Å; D294-L297 PolarHBondContact O-N 2.78Å; L297-F299 HydrophobicContact CD1-CE2 4.47Å; L297-F299 HydrophobicContact CD1-CZ 4.26Å; L297-F299 HydrophobicContact CD2-CE2 3.81Å; L297-F299 HydrophobicContact CD2-CZ 3.87Å; L297-F299 HydrophobicContact CG-CE2 3.92Å; L297-F299 HydrophobicContact CG-CZ 4.14Å; L297-R311 HydrophobicContact CB-CG 4.4Å; L297-R311 HydrophobicContact CD1-CB 4.09Å; L297-R311 HydrophobicContact CD1-CG 4.27Å
298F83.3Confident72.7Confident0 Ų064.9 Ų64.90%036%0.36CS..EExtended strand (participates in β ladder)trans-145.5158.9172.565-82.5000111.1L241 V290 I300 F310 V312 R321 W324 L325 I328L241-F298 HydrophobicContact CD1-CZ 3.99Å; L241-F298 HydrophobicContact CD2-CE1 4.35Å; V290-F298 HydrophobicContact CG1-CB 3.92Å; F298-I300 HydrophobicContact CD2-CG1 4.15Å; F298-I300 HydrophobicContact CE2-CD1 4.08Å; F298-I300 HydrophobicContact CE2-CG1 4.09Å; F298-F310 HydrophobicContact CD1-CB 4.27Å; F298-F310 HydrophobicContact CD2-CB 4.25Å; F298-F310 HydrophobicContact CE1-CB 3.76Å; F298-F310 HydrophobicContact CE2-CB 3.73Å; F298-F310 HydrophobicContact CE2-CD2 4.14Å; F298-F310 HydrophobicContact CE2-CG 4.26Å; F298-F310 HydrophobicContact CZ-CB 3.48Å; F298-F310 VanDerWaalsContact CZ-CB 3.48Å; F298-F310 HydrophobicContact CZ-CG 4.24Å; F298-F310 PolarHBondContact N-O 3.23Å; F298-F310 PolarHBondContact O-N 3.15Å; F298-V312 HydrophobicContact CE1-CG2 4.01Å; F298-R321 HydrophobicContact CD1-CG 3.98Å; F298-W324 HydrophobicContact CE1-CB 4.33Å; F298-W324 HydrophobicContact CZ-CB 4.09Å; F298-W324 HydrophobicContact CZ-CG 4.48Å; F298-L325 HydrophobicContact CB-CD2 3.97Å; F298-L325 HydrophobicContact CD2-CD2 4.02Å; F298-L325 HydrophobicContact CG-CD2 4.11Å; F298-I328 HydrophobicContact CD2-CD1 4.45Å; F298-I328 HydrophobicContact CE2-CD1 3.62Å; F298-I328 HydrophobicContact CZ-CD1 4.24Å
299F81.8Confident72.8Confident42 Ų4262.8 Ų62.818%0.18435%0.346CS..EExtended strand (participates in β ladder)trans-126.5138.4178-58.9-94.5000109.8C288 T289 K291 L297 I307 H308C288-F299 CarbonylContact C-O 3.51Å; C288-F299 WeakPolarHBondContact CA-O 3.44Å; T289-F299 PolarHBondContact N-O 3.28Å; T289-F299 PolarHBondContact O-N 3.26Å; T289-F299 WeakPolarHBondContact OG1-CB 3.4Å; K291-F299 HydrophobicContact CD-CE2 4.34Å; K291-F299 HydrophobicContact CG-CE2 4.49Å; L297-F299 HydrophobicContact CD1-CE2 4.47Å; L297-F299 HydrophobicContact CD1-CZ 4.26Å; L297-F299 HydrophobicContact CD2-CE2 3.81Å; L297-F299 HydrophobicContact CD2-CZ 3.87Å; L297-F299 HydrophobicContact CG-CE2 3.92Å; L297-F299 HydrophobicContact CG-CZ 4.14Å; F299-I307 HydrophobicContact CB-CG2 4.2Å; F299-I307 HydrophobicContact CD1-CG2 4.19Å; F299-H308 WeakPolarHBondContact CA-O 3.32Å
300I81.9Confident73.2Confident1 Ų159.5 Ų59.51%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-108.6121.5174.3-51.7174.9000106.9L262 L283 A286 F298 I307 H308 F310 I328L262-I300 HydrophobicContact CD2-CD1 3.57Å; L283-I300 HydrophobicContact CD2-CG2 4.11Å; A286-I300 HydrophobicContact CB-CG2 4.1Å; F298-I300 HydrophobicContact CD2-CG1 4.15Å; F298-I300 HydrophobicContact CE2-CD1 4.08Å; F298-I300 HydrophobicContact CE2-CG1 4.09Å; I300-I307 WeakPolarHBondContact O-CA 3.46Å; I300-H308 PolarHBondContact N-O 3.06Å; I300-H308 PolarHBondContact O-N 2.88Å; I300-F310 HydrophobicContact CD1-CD2 3.82Å; I300-F310 HydrophobicContact CD1-CE2 3.7Å; I300-F310 HydrophobicContact CG1-CD2 4.12Å; I300-F310 HydrophobicContact CG1-CE2 4.27Å; I300-I328 HydrophobicContact CD1-CD1 3.6Å; I300-I328 HydrophobicContact CD1-CG1 4.41Å; I300-I328 HydrophobicContact CD1-CG2 4.39Å; I300-I328 HydrophobicContact CG1-CD1 4.29Å
301K78.8Confident73.5Confident88 Ų8859.9 Ų59.938%0.38332%0.318SS..EExtended strand (participates in β ladder)trans-98.1112.7168.6-174.1-177.5-177.8-159.70107.7A286 V287 D305 T306 I307A286-K301 CarbonylContact C-O 3.44Å; A286-K301 VanDerWaalsContact CA-O 3.26Å; A286-K301 WeakPolarHBondContact CA-O 3.49Å; V287-K301 PolarHBondContact N-O 2.97Å; V287-K301 PolarHBondContact O-N 3.12Å; K301-D305 WeakPolarHBondContact CE-OD1 3.31Å; K301-D305 IonicContact NZ-OD1 2.67Å; K301-D305 PolarHBondContact NZ-OD1 2.9Å; K301-T306 WeakPolarHBondContact CA-O 3.44Å; K301-I307 HydrophobicContact CB-CG1 4.31Å; K301-I307 HydrophobicContact CG-CG1 4.05Å
302C75.3Confident74.3Confident5 Ų554.6 Ų54.63%0.03430%0.296CS..  trans-81.8166.2176.9-66.40000110.9D304 D305 T306C302-D304 VanDerWaalsContact CB-OD1 3.24Å; C302-D304 WeakPolarHBondContact CB-OD1 3.41Å; C302-D304 PolarHBondContact O-N 3.25Å; C302-D305 PolarHBondContact O-N 3.36Å; C302-T306 PolarHBondContact N-O 3.34Å
303F67Low75.6Confident144 Ų14449.6 Ų49.663%0.63226%0.261SS*.THydrogen-bonded Turntrans-58-31.1-179.8173-97.3000113.8T284 Q285 D305T284-F303 WeakPolarHBondContact O-CB 3.34Å; Q285-F303 HydrophobicContact CB-CD2 4.44Å; F303-D305 PolarHBondContact O-N 3.47Å
304D63.6Low75.9Confident78 Ų7851.3 Ų51.342%0.41726%0.257SS..THydrogen-bonded Turntrans-76.519.3175.466.5-7.7000113.6K281 C302 T306K281-D304 IonicContact NZ-OD2 3.64Å; K281-D304 PolarHBondContact NZ-OD2 3.19Å; C302-D304 VanDerWaalsContact CB-OD1 3.24Å; C302-D304 WeakPolarHBondContact CB-OD1 3.41Å; C302-D304 PolarHBondContact O-N 3.25Å; D304-T306 VanDerWaalsContact CG-OG1 3.3Å; D304-T306 PolarHBondContact O-N 3.07Å; D304-T306 VanDerWaalsContact OD1-CB 3.29Å; D304-T306 WeakPolarHBondContact OD1-CB 3.27Å; D304-T306 WeakPolarHBondContact OD1-CG2 3.47Å; D304-T306 PolarHBondContact OD1-N 3.18Å; D304-T306 PolarHBondContact OD1-OG1 2.91Å; D304-T306 WeakPolarHBondContact OD2-CG2 3.22Å; D304-T306 PolarHBondContact OD2-OG1 2.78Å
305D63.3Low75.4Confident109 Ų10957.3 Ų57.358%0.58329%0.289SS*.SBendtrans56.79.5-173.6-80.6-35.5000115.3K301 C302 F303 I307K301-D305 WeakPolarHBondContact CE-OD1 3.31Å; K301-D305 IonicContact NZ-OD1 2.67Å; K301-D305 PolarHBondContact NZ-OD1 2.9Å; C302-D305 PolarHBondContact O-N 3.36Å; F303-D305 PolarHBondContact O-N 3.47Å; D305-I307 PolarHBondContact O-N 3.07Å
306T72.3Confident74.9Confident35 Ų3555.4 Ų55.422%0.21528%0.276CS..  trans-73.1129.3175.864.80000110.7K301 C302 D304 H308K301-T306 WeakPolarHBondContact CA-O 3.44Å; C302-T306 PolarHBondContact N-O 3.34Å; D304-T306 VanDerWaalsContact CG-OG1 3.3Å; D304-T306 PolarHBondContact O-N 3.07Å; D304-T306 VanDerWaalsContact OD1-CB 3.29Å; D304-T306 WeakPolarHBondContact OD1-CB 3.27Å; D304-T306 WeakPolarHBondContact OD1-CG2 3.47Å; D304-T306 PolarHBondContact OD1-N 3.18Å; D304-T306 PolarHBondContact OD1-OG1 2.91Å; D304-T306 WeakPolarHBondContact OD2-CG2 3.22Å; D304-T306 PolarHBondContact OD2-OG1 2.78Å; T306-H308 PolarHBondContact OG1-NE2 3.31Å
307I77.1Confident73.8Confident96 Ų9662.9 Ų62.949%0.49231%0.314SS..EExtended strand (participates in β ladder)trans-105.1122.8177.9-57.6174.1000109.3F299 I300 K301 D305F299-I307 HydrophobicContact CB-CG2 4.2Å; F299-I307 HydrophobicContact CD1-CG2 4.19Å; I300-I307 WeakPolarHBondContact O-CA 3.46Å; K301-I307 HydrophobicContact CB-CG1 4.31Å; K301-I307 HydrophobicContact CG-CG1 4.05Å; D305-I307 PolarHBondContact O-N 3.07Å
308H79.6Confident72.5Confident23 Ų2370.8 Ų70.811%0.10635%0.35CS..EExtended strand (participates in β ladder)trans-117.9112.9177.9-65-51000110.5K243 K281 F299 I300 T306 F310K243-H308 PolarHBondContact NZ-ND1 3.23Å; K281-H308 WeakPolarHBondContact CE-NE2 3.49Å; F299-H308 WeakPolarHBondContact CA-O 3.32Å; I300-H308 PolarHBondContact N-O 3.06Å; I300-H308 PolarHBondContact O-N 2.88Å; T306-H308 PolarHBondContact OG1-NE2 3.31Å; H308-F310 HydrophobicContact CB-CD2 4.32Å; H308-F310 HydrophobicContact CB-CE2 3.55Å; H308-F310 HydrophobicContact CB-CZ 4.12Å; H308-F310 WeakPolarHBondContact O-CD2 3.46Å
309G83.1Confident71.6Confident1 Ų172.9 Ų72.91%0.0136%0.359CS..EExtended strand (participates in β ladder)trans-84.3130.417400000111.7K243 S244 W250K243-G309 WeakPolarHBondContact CA-O 3.48Å; S244-G309 PolarHBondContact N-O 2.97Å; S244-G309 PolarHBondContact OG-O 2.69Å; W250-G309 VanDerWaalsContact CZ3-O 3.32Å; W250-G309 WeakPolarHBondContact CZ3-O 3.4Å
310F85.5Confident71.1Confident1 Ų172.8 Ų72.80%0.00436%0.364CS..EExtended strand (participates in β ladder)trans-126.1140.9177.8-66.9-82000111.6L241 W242 K243 V255 L262 F298 I300 H308L241-F310 HydrophobicContact CB-CD1 4.01Å; L241-F310 HydrophobicContact CD1-CB 4.33Å; L241-F310 HydrophobicContact CD1-CD1 4.06Å; L241-F310 HydrophobicContact CD1-CG 4.35Å; W242-F310 CarbonylContact O-C 3.56Å; W242-F310 WeakPolarHBondContact O-CA 3.44Å; K243-F310 HydrophobicContact CB-CD1 4.07Å; K243-F310 HydrophobicContact CB-CE1 3.9Å; K243-F310 HydrophobicContact CD-CE1 3.7Å; K243-F310 HydrophobicContact CD-CZ 3.91Å; K243-F310 HydrophobicContact CG-CD1 4.18Å; K243-F310 HydrophobicContact CG-CE1 3.71Å; K243-F310 HydrophobicContact CG-CZ 4.13Å; V255-F310 HydrophobicContact CG2-CE1 4.2Å; L262-F310 HydrophobicContact CD2-CE2 3.93Å; L262-F310 HydrophobicContact CD2-CZ 3.93Å; F298-F310 HydrophobicContact CD1-CB 4.27Å; F298-F310 HydrophobicContact CD2-CB 4.25Å; F298-F310 HydrophobicContact CE1-CB 3.76Å; F298-F310 HydrophobicContact CE2-CB 3.73Å; F298-F310 HydrophobicContact CE2-CD2 4.14Å; F298-F310 HydrophobicContact CE2-CG 4.26Å; F298-F310 HydrophobicContact CZ-CB 3.48Å; F298-F310 VanDerWaalsContact CZ-CB 3.48Å; F298-F310 HydrophobicContact CZ-CG 4.24Å; F298-F310 PolarHBondContact N-O 3.23Å; F298-F310 PolarHBondContact O-N 3.15Å; I300-F310 HydrophobicContact CD1-CD2 3.82Å; I300-F310 HydrophobicContact CD1-CE2 3.7Å; I300-F310 HydrophobicContact CG1-CD2 4.12Å; I300-F310 HydrophobicContact CG1-CE2 4.27Å; H308-F310 HydrophobicContact CB-CD2 4.32Å; H308-F310 HydrophobicContact CB-CE2 3.55Å; H308-F310 HydrophobicContact CB-CZ 4.12Å; H308-F310 WeakPolarHBondContact O-CD2 3.46Å
311R84.4Confident70.9Confident88 Ų8874.6 Ų74.633%0.33237%0.371SS..EExtended strand (participates in β ladder)trans-128.5128.3176.5-158.7-175.7-154.9174.75111.4W242 W250 D294 C296 L297W242-R311 HydrophobicContact CB-CB 4.07Å; W242-R311 PolarHBondContact N-O 3.47Å; W242-R311 PolarHBondContact O-N 2.9Å; W250-R311 HydrophobicContact CE3-CB 4.36Å; W250-R311 HydrophobicContact CH2-CB 4.5Å; W250-R311 HydrophobicContact CZ3-CB 4.03Å; D294-R311 IonicContact OD2-CZ 3.4Å; D294-R311 IonicContact OD2-NE 3.04Å; D294-R311 PolarHBondContact OD2-NE 3.09Å; D294-R311 IonicContact OD2-NH2 3.68Å; D294-R311 PolarHBondContact OD2-NH2 3.4Å; C296-R311 HydrophobicContact CB-CG 4.11Å; C296-R311 CarbonylContact O-C 3.6Å; C296-R311 VanDerWaalsContact O-CA 3.26Å; C296-R311 WeakPolarHBondContact O-CA 3.38Å; C296-R311 WeakPolarHBondContact O-CG 3.4Å; L297-R311 HydrophobicContact CB-CG 4.4Å; L297-R311 HydrophobicContact CD1-CB 4.09Å; L297-R311 HydrophobicContact CD1-CG 4.27Å
312V84.4Confident70.8Confident12 Ų1275 Ų757%0.07337%0.374CS..  trans-75132.1177.7-172.30000109.7L241 C296 F298 R321L241-V312 HydrophobicContact CD2-CB 4.42Å; L241-V312 HydrophobicContact CD2-CG2 3.91Å; C296-V312 PolarHBondContact O-N 2.85Å; F298-V312 HydrophobicContact CE1-CG2 4.01Å; V312-R321 HydrophobicContact CG2-CB 4.03Å
313P80.6Confident71Confident30 Ų3077.8 Ų77.820%0.19539%0.389CS..  trans-62.2135.9175.9-19.630.6000112.1P240 L252 N315 S316P240-P313 WeakPolarHBondContact O-CD 3.24Å; P240-P313 WeakPolarHBondContact O-CG 3.28Å; L252-P313 HydrophobicContact CD1-CG 4.15Å; P313-N315 PolarHBondContact O-N 3.37Å; P313-N315 VanDerWaalsContact O-N 3.13Å; P313-S316 PolarHBondContact O-N 3.07Å; P313-S316 PolarHBondContact O-OG 2.82Å; P313-S316 VanDerWaalsContact O-OG 3.06Å
314K62.8Low71.8Confident167 Ų16771 Ų7173%0.72636%0.359SS*.THydrogen-bonded Turntrans-67.9-11-173.2-68.4-173175.8-173.20115.7
315N57.5Low72.6Confident158 Ų15868.8 Ų68.885%0.84535%0.347SS*.THydrogen-bonded Turntrans-10913.3-178.1-71.52.3000113.4P313 L317P313-N315 PolarHBondContact O-N 3.37Å; P313-N315 VanDerWaalsContact O-N 3.13Å; N315-L317 PolarHBondContact O-N 3.15Å
316S56Low73.3Confident43 Ų4369.3 Ų69.330%0.30135%0.346SS..  trans-80.9101-179.4-51.90000110.7P313 Q318P313-S316 PolarHBondContact O-N 3.07Å; P313-S316 PolarHBondContact O-OG 2.82Å; P313-S316 VanDerWaalsContact O-OG 3.06Å; S316-Q318 PolarHBondContact O-N 3.22Å
317L51.7Low73.7Confident180 Ų18068.1 Ų68.194%0.94234%0.34SS*.SBendtrans-74.5-6.2179.1-82.1159.8000114.5N315N315-L317 PolarHBondContact O-N 3.15Å
318Q52.6Low73.8Confident185 Ų18563.6 Ų63.686%0.86432%0.317SS*.SBendtrans-117.8-9.6-171.2-78.3-179.4-21.200115.6S316S316-Q318 PolarHBondContact O-N 3.22Å
319Q63.6Low73.7Confident44 Ų4469.2 Ų69.221%0.20634%0.343CS..  trans-147.4117.6-174.7-63.8177.7-10.400110.6Y237 E238Y237-Q319 WeakPolarHBondContact OH-CG 3.41Å; E238-Q319 PolarHBondContact O-NE2 3.16Å
320S71.2Confident73.2Confident41 Ų4174.4 Ų74.429%0.28737%0.367SS..  trans-91.7168176.371.50000111.8E322 D323 W324S320-E322 PolarHBondContact O-N 2.79Å; S320-E322 PolarHBondContact OG-N 2.85Å; S320-D323 WeakPolarHBondContact CB-OD2 3.42Å; S320-D323 PolarHBondContact N-OD2 2.87Å; S320-D323 PolarHBondContact O-N 2.81Å; S320-D323 PolarHBondContact OG-N 3.06Å; S320-D323 VanDerWaalsContact OG-N 3.16Å; S320-D323 PolarHBondContact OG-OD1 3.45Å; S320-D323 PolarHBondContact OG-OD2 3.12Å; S320-W324 PolarHBondContact O-N 2.87Å
321R79.4Confident72.8Confident38 Ų3874.4 Ų74.414%0.14337%0.367CS..Hα-helixtrans-63.1-38.2173.2177.4-169.561.8173.6-1.5110.4D294 S295 F298 V312 D323 W324 L325D294-R321 PolarHBondContact O-NH1 3.02Å; S295-R321 WeakPolarHBondContact O-CB 3.28Å; S295-R321 WeakPolarHBondContact O-CD 3.34Å; S295-R321 PolarHBondContact O-NE 2.92Å; F298-R321 HydrophobicContact CD1-CG 3.98Å; V312-R321 HydrophobicContact CG2-CB 4.03Å; R321-D323 VanDerWaalsContact C-N 3.34Å; R321-W324 PolarHBondContact O-N 2.85Å; R321-L325 HydrophobicContact CG-CD1 4.01Å; R321-L325 HydrophobicContact CG-CG 4.46Å; R321-L325 WeakPolarHBondContact O-CG 3.31Å; R321-L325 PolarHBondContact O-N 3.34Å
322E76.7Confident72.3Confident96 Ų9670.9 Ų70.945%0.44936%0.356SS..Hα-helixtrans-62-42.1179.1-67.367.7-14800111S320 W324 L325 E326S320-E322 PolarHBondContact O-N 2.79Å; S320-E322 PolarHBondContact OG-N 2.85Å; E322-W324 VanDerWaalsContact C-N 3.33Å; E322-W324 PolarHBondContact O-N 2.78Å; E322-L325 PolarHBondContact O-N 2.67Å; E322-E326 PolarHBondContact O-N 3.5Å
323D78.6Confident71.3Confident64 Ų6472.7 Ų72.734%0.34237%0.372SS..Hα-helixtrans-63.5-37.5176.8-55.2-43.6000112.4Y237 S320 R321 A327Y237-D323 VanDerWaalsContact OH-CB 3.31Å; Y237-D323 WeakPolarHBondContact OH-CB 3.31Å; S320-D323 WeakPolarHBondContact CB-OD2 3.42Å; S320-D323 PolarHBondContact N-OD2 2.87Å; S320-D323 PolarHBondContact O-N 2.81Å; S320-D323 PolarHBondContact OG-N 3.06Å; S320-D323 VanDerWaalsContact OG-N 3.16Å; S320-D323 PolarHBondContact OG-OD1 3.45Å; S320-D323 PolarHBondContact OG-OD2 3.12Å; R321-D323 VanDerWaalsContact C-N 3.34Å; D323-A327 WeakPolarHBondContact O-CB 3.4Å; D323-A327 PolarHBondContact O-N 3.22Å; D323-A327 VanDerWaalsContact O-N 3.07Å
324W83Confident70.6Confident1 Ų175 Ų750%0.00438%0.377CS..Hα-helixtrans-68-40.5175.4-87.197000112.1Y237 L241 V255 L257 F298 S320 R321 E322 A327 I328Y237-W324 AromaticContact CD1-CD2 3.99Å; Y237-W324 HydrophobicContact CD1-CD2 3.99Å; Y237-W324 AromaticContact CD1-CE3 3.85Å; Y237-W324 HydrophobicContact CD1-CE3 3.85Å; Y237-W324 HydrophobicContact CD1-CH2 4.02Å; Y237-W324 HydrophobicContact CD1-CZ2 4.13Å; Y237-W324 AromaticContact CD1-CZ3 3.88Å; Y237-W324 HydrophobicContact CD1-CZ3 3.88Å; Y237-W324 AromaticContact CE1-CD2 3.5Å; Y237-W324 HydrophobicContact CE1-CD2 3.5Å; Y237-W324 AromaticContact CE1-CE2 3.53Å; Y237-W324 AromaticContact CE1-CE3 3.86Å; Y237-W324 HydrophobicContact CE1-CE3 3.86Å; Y237-W324 AromaticContact CE1-CG 3.85Å; Y237-W324 HydrophobicContact CE1-CG 3.85Å; Y237-W324 HydrophobicContact CE1-CH2 4.26Å; Y237-W324 AromaticContact CE1-CZ2 3.92Å; Y237-W324 HydrophobicContact CE1-CZ2 3.92Å; Y237-W324 HydrophobicContact CE1-CZ3 4.23Å; Y237-W324 AromaticContact CE1-NE1 3.84Å; L241-W324 HydrophobicContact CD1-CD2 3.85Å; L241-W324 HydrophobicContact CD1-CE3 3.87Å; L241-W324 HydrophobicContact CD1-CH2 4.02Å; L241-W324 HydrophobicContact CD1-CZ2 4Å; L241-W324 HydrophobicContact CD1-CZ3 3.94Å; L241-W324 HydrophobicContact CD2-CD2 4.42Å; L241-W324 HydrophobicContact CG-CD2 4.46Å; L241-W324 HydrophobicContact CG-CZ2 4.12Å; V255-W324 HydrophobicContact CB-CH2 4.05Å; V255-W324 HydrophobicContact CB-CZ3 4.45Å; V255-W324 HydrophobicContact CG1-CH2 4.12Å; V255-W324 HydrophobicContact CG1-CZ3 4.05Å; L257-W324 HydrophobicContact CD1-CE3 3.63Å; L257-W324 HydrophobicContact CD1-CZ3 3.41Å; L257-W324 VanDerWaalsContact CD1-CZ3 3.41Å; L257-W324 HydrophobicContact CG-CZ3 4.14Å; F298-W324 HydrophobicContact CE1-CB 4.33Å; F298-W324 HydrophobicContact CZ-CB 4.09Å; F298-W324 HydrophobicContact CZ-CG 4.48Å; S320-W324 PolarHBondContact O-N 2.87Å; R321-W324 PolarHBondContact O-N 2.85Å; E322-W324 VanDerWaalsContact C-N 3.33Å; E322-W324 PolarHBondContact O-N 2.78Å; W324-A327 PolarHBondContact O-N 2.84Å; W324-I328 HydrophobicContact CE3-CD1 4.41Å; W324-I328 WeakPolarHBondContact O-CB 3.2Å; W324-I328 VanDerWaalsContact O-CD1 3.25Å; W324-I328 WeakPolarHBondContact O-CD1 3.5Å; W324-I328 WeakPolarHBondContact O-CG1 3.23Å; W324-I328 PolarHBondContact O-N 3.18Å
325L80.2Confident70.5Confident32 Ų3267.5 Ų67.517%0.16835%0.346CS..Hα-helixtrans-66.1-42.9179-69.8168.7000111.5C288 V290 F298 R321 E322 I328 E329C288-L325 HydrophobicContact CB-CD2 3.71Å; V290-L325 HydrophobicContact CG1-CD1 3.58Å; V290-L325 HydrophobicContact CG1-CD2 4.26Å; F298-L325 HydrophobicContact CB-CD2 3.97Å; F298-L325 HydrophobicContact CD2-CD2 4.02Å; F298-L325 HydrophobicContact CG-CD2 4.11Å; R321-L325 HydrophobicContact CG-CD1 4.01Å; R321-L325 HydrophobicContact CG-CG 4.46Å; R321-L325 WeakPolarHBondContact O-CG 3.31Å; R321-L325 PolarHBondContact O-N 3.34Å; E322-L325 PolarHBondContact O-N 2.67Å; L325-I328 PolarHBondContact O-N 3.38Å; L325-E329 WeakPolarHBondContact O-CB 3.5Å; L325-E329 PolarHBondContact O-N 3.01Å
326E78.8Confident70.6Confident121 Ų12161.6 Ų61.657%0.56532%0.316SS*.Hα-helixtrans-62-47.2175.9-172171.8-16000111E322 I328 E329 E330E322-E326 PolarHBondContact O-N 3.5Å; E326-I328 VanDerWaalsContact C-N 3.35Å; E326-I328 PolarHBondContact O-N 2.7Å; E326-E329 PolarHBondContact O-N 2.84Å; E326-E330 WeakPolarHBondContact O-CG 3.46Å; E326-E330 PolarHBondContact O-N 2.6Å
327A80.1Confident70.6Confident10 Ų1064.6 Ų64.68%0.08333%0.325CS..Hα-helixtrans-62.7-38.217800000113.2Y237 L257 D323 W324 H331Y237-A327 HydrophobicContact CD1-CB 3.7Å; Y237-A327 HydrophobicContact CE1-CB 4.21Å; Y237-A327 HydrophobicContact CG-CB 3.89Å; L257-A327 HydrophobicContact CD1-CB 4.24Å; D323-A327 WeakPolarHBondContact O-CB 3.4Å; D323-A327 PolarHBondContact O-N 3.22Å; D323-A327 VanDerWaalsContact O-N 3.07Å; W324-A327 PolarHBondContact O-N 2.84Å; A327-H331 WeakPolarHBondContact O-CB 3.33Å; A327-H331 PolarHBondContact O-N 2.83Å; A327-H331 VanDerWaalsContact O-N 3.08Å; A327-H331 PolarHBondContact O-ND1 2.8Å
328I80.7Confident70.5Confident1 Ų161.4 Ų61.41%0.00530%0.301CS..Hα-helixtrans-70.1-40.4177.8-67.6160.9000111L257 L283 C288 F298 I300 W324 L325 E326 H331 S332L257-I328 HydrophobicContact CD1-CD1 4.42Å; L257-I328 HydrophobicContact CD1-CG1 3.48Å; L257-I328 VanDerWaalsContact CD1-CG1 3.48Å; L257-I328 HydrophobicContact CD2-CG1 4.06Å; L257-I328 HydrophobicContact CG-CG1 4.4Å; L283-I328 HydrophobicContact CD1-CG2 4.09Å; L283-I328 HydrophobicContact CD2-CG2 4.39Å; C288-I328 WeakPolarHBondContact SG-CG2 3.46Å; F298-I328 HydrophobicContact CD2-CD1 4.45Å; F298-I328 HydrophobicContact CE2-CD1 3.62Å; F298-I328 HydrophobicContact CZ-CD1 4.24Å; I300-I328 HydrophobicContact CD1-CD1 3.6Å; I300-I328 HydrophobicContact CD1-CG1 4.41Å; I300-I328 HydrophobicContact CD1-CG2 4.39Å; I300-I328 HydrophobicContact CG1-CD1 4.29Å; W324-I328 HydrophobicContact CE3-CD1 4.41Å; W324-I328 WeakPolarHBondContact O-CB 3.2Å; W324-I328 VanDerWaalsContact O-CD1 3.25Å; W324-I328 WeakPolarHBondContact O-CD1 3.5Å; W324-I328 WeakPolarHBondContact O-CG1 3.23Å; W324-I328 PolarHBondContact O-N 3.18Å; L325-I328 PolarHBondContact O-N 3.38Å; E326-I328 VanDerWaalsContact C-N 3.35Å; E326-I328 PolarHBondContact O-N 2.7Å; I328-H331 PolarHBondContact O-N 2.83Å; I328-S332 WeakPolarHBondContact O-CB 3.18Å; I328-S332 PolarHBondContact O-N 3.13Å
329E76.4Confident70.1Confident140 Ų14056 Ų5665%0.65428%0.283SS*.Hα-helixtrans-63.8-43177.2-169.6173.2-175.200110.9L325 E326 S332 A333L325-E329 WeakPolarHBondContact O-CB 3.5Å; L325-E329 PolarHBondContact O-N 3.01Å; E326-E329 PolarHBondContact O-N 2.84Å; E329-S332 PolarHBondContact O-N 2.9Å; E329-A333 WeakPolarHBondContact O-CB 3.23Å; E329-A333 PolarHBondContact O-N 3.2Å
330E73.9Confident69.1Low110 Ų11058.3 Ų58.351%0.51430%0.304SS..Hα-helixtrans-61-45.7174.1-72.7-173.6164.300112.5L234 E326 Y334L234-E330 HydrophobicContact CD2-CB 4.05Å; E326-E330 WeakPolarHBondContact O-CG 3.46Å; E326-E330 PolarHBondContact O-N 2.6Å; E330-Y334 WeakPolarHBondContact O-CB 3.48Å; E330-Y334 PolarHBondContact O-N 2.84Å; E330-Y334 VanDerWaalsContact O-N 3.09Å
331H75.6Confident67.5Low2 Ų263.4 Ų63.41%0.00932%0.323CS..Hα-helixtrans-71.5-31.6179.7-76.970.6000112.5L234 K235 L257 G260 L283 A327 I328 S335L234-H331 HydrophobicContact CD2-CB 4.33Å; L234-H331 WeakPolarHBondContact CD2-CE1 3.25Å; L234-H331 WeakPolarHBondContact CD2-ND1 3.34Å; K235-H331 PolarHBondContact O-CE1 2.96Å; L257-H331 HydrophobicContact CD2-CB 4.28Å; G260-H331 WeakPolarHBondContact CA-O 3.38Å; L283-H331 HydrophobicContact CD1-CB 4.03Å; A327-H331 WeakPolarHBondContact O-CB 3.33Å; A327-H331 PolarHBondContact O-N 2.83Å; A327-H331 VanDerWaalsContact O-N 3.08Å; A327-H331 PolarHBondContact O-ND1 2.8Å; I328-H331 PolarHBondContact O-N 2.83Å; H331-S335 WeakPolarHBondContact O-CB 3.28Å; H331-S335 PolarHBondContact O-N 2.79Å
332S74.1Confident65.1Low13 Ų1366.3 Ų66.39%0.09134%0.341CS..Hα-helixtrans-69.6-44.1175-179.70000112L283 A286 I328 E329 Y334 S335 T336L283-S332 WeakPolarHBondContact O-CA 3.46Å; L283-S332 VanDerWaalsContact O-CB 3.28Å; L283-S332 WeakPolarHBondContact O-CB 3.24Å; L283-S332 PolarHBondContact O-OG 3.37Å; A286-S332 PolarHBondContact N-OG 2.61Å; A286-S332 PolarHBondContact O-OG 3.09Å; I328-S332 WeakPolarHBondContact O-CB 3.18Å; I328-S332 PolarHBondContact O-N 3.13Å; E329-S332 PolarHBondContact O-N 2.9Å; S332-Y334 VanDerWaalsContact C-N 3.3Å; S332-Y334 PolarHBondContact O-N 3.09Å; S332-S335 PolarHBondContact O-N 2.71Å; S332-T336 WeakPolarHBondContact O-CB 3.42Å; S332-T336 PolarHBondContact O-N 3.49Å; S332-T336 PolarHBondContact O-OG1 2.83Å
333A64.4Low63Low51 Ų5170.6 Ų70.642%0.42136%0.361SS..Hα-helixtrans-61.2-41174.900000111.4E329 H337E329-A333 WeakPolarHBondContact O-CB 3.23Å; E329-A333 PolarHBondContact O-N 3.2Å; A333-H337 PolarHBondContact O-N 3.33Å
334Y64.8Low60.6Low78 Ų7875.4 Ų75.431%0.30639%0.387SS..Hα-helixtrans-60-53.9173.2-178.4-96.4000112L234 E330 S332 T336 H337 Y338L234-Y334 HydrophobicContact CD1-CD1 4.11Å; L234-Y334 HydrophobicContact CD1-CD2 3.2Å; L234-Y334 HydrophobicContact CD1-CE2 3.84Å; L234-Y334 HydrophobicContact CD1-CG 3.36Å; E330-Y334 WeakPolarHBondContact O-CB 3.48Å; E330-Y334 PolarHBondContact O-N 2.84Å; E330-Y334 VanDerWaalsContact O-N 3.09Å; S332-Y334 VanDerWaalsContact C-N 3.3Å; S332-Y334 PolarHBondContact O-N 3.09Å; Y334-T336 VanDerWaalsContact C-N 3.27Å; Y334-T336 PolarHBondContact O-N 2.95Å; Y334-H337 PolarHBondContact O-N 2.59Å; Y334-Y338 HydrophobicContact CD2-CD2 4.18Å; Y334-Y338 AromaticContact CD2-CE2 3.75Å; Y334-Y338 HydrophobicContact CD2-CE2 3.75Å; Y334-Y338 HydrophobicContact CE1-CD2 4.35Å; Y334-Y338 HydrophobicContact CE1-CE2 4.49Å; Y334-Y338 AromaticContact CE2-CD2 3.98Å; Y334-Y338 HydrophobicContact CE2-CD2 3.98Å; Y334-Y338 AromaticContact CE2-CE2 3.35Å; Y334-Y338 HydrophobicContact CE2-CE2 3.35Å; Y334-Y338 HydrophobicContact CG-CD2 4.47Å; Y334-Y338 HydrophobicContact CG-CE2 4.47Å; Y334-Y338 AromaticContact CZ-CE2 3.77Å; Y334-Y338 WeakPolarHBondContact O-CD2 3.09Å
335S61.3Low58.1Low9 Ų981.6 Ų81.66%0.06342%0.424CS..Hα-helixtrans-59.4-37.3-179.2-161.50000112.7T284 H331 S332 C339T284-S335 PolarHBondContact N-OG 2.98Å; T284-S335 PolarHBondContact OG1-OG 3.48Å; H331-S335 WeakPolarHBondContact O-CB 3.28Å; H331-S335 PolarHBondContact O-N 2.79Å; S332-S335 PolarHBondContact O-N 2.71Å; S335-C339 PolarHBondContact O-N 3.48Å
336T60Low55.8Low35 Ų3587.1 Ų87.122%0.21545%0.454CS..Hα-helixtrans-71.2-41.1-177.5-51.50000112.6Q285 S332 Y334 Y338 C339 S340Q285-T336 HydrophobicContact CG-CG2 3.7Å; Q285-T336 PolarHBondContact N-OG1 3.11Å; S332-T336 WeakPolarHBondContact O-CB 3.42Å; S332-T336 PolarHBondContact O-N 3.49Å; S332-T336 PolarHBondContact O-OG1 2.83Å; Y334-T336 VanDerWaalsContact C-N 3.27Å; Y334-T336 PolarHBondContact O-N 2.95Å; T336-Y338 VanDerWaalsContact C-N 3.34Å; T336-Y338 PolarHBondContact O-N 3.22Å; T336-C339 PolarHBondContact O-N 3.29Å; T336-S340 PolarHBondContact O-N 2.67Å; T336-S340 PolarHBondContact O-OG 3.1Å
337H55.5Low53.5Low106 Ų10690.3 Ų90.349%0.49147%0.469SS..Hα-helixtrans-62.5-37.8-179.8177-82000113A333 Y334 S340A333-H337 PolarHBondContact O-N 3.33Å; Y334-H337 PolarHBondContact O-N 2.59Å; H337-S340 PolarHBondContact O-OG 3.13Å
338Y49.8Very low51.2Low112 Ų11299.1 Ų99.144%0.43951%0.508SS..Hα-helixtrans-84-24.8-177.8-74.2-82000113.8Y334 T336Y334-Y338 HydrophobicContact CD2-CD2 4.18Å; Y334-Y338 AromaticContact CD2-CE2 3.75Å; Y334-Y338 HydrophobicContact CD2-CE2 3.75Å; Y334-Y338 HydrophobicContact CE1-CD2 4.35Å; Y334-Y338 HydrophobicContact CE1-CE2 4.49Å; Y334-Y338 AromaticContact CE2-CD2 3.98Å; Y334-Y338 HydrophobicContact CE2-CD2 3.98Å; Y334-Y338 AromaticContact CE2-CE2 3.35Å; Y334-Y338 HydrophobicContact CE2-CE2 3.35Å; Y334-Y338 HydrophobicContact CG-CD2 4.47Å; Y334-Y338 HydrophobicContact CG-CE2 4.47Å; Y334-Y338 AromaticContact CZ-CE2 3.77Å; Y334-Y338 WeakPolarHBondContact O-CD2 3.09Å; T336-Y338 VanDerWaalsContact C-N 3.34Å; T336-Y338 PolarHBondContact O-N 3.22Å
339C44.4Very low48.9Very low73 Ų73108.2 Ų108.249%0.49355%0.551SS.*Hα-helixtrans-77.2-20.4174.2-83.30000114.2T284 S335 T336T284-C339 HydrophobicContact CG2-CB 4.04Å; S335-C339 PolarHBondContact O-N 3.48Å; T336-C339 PolarHBondContact O-N 3.29Å
340S41.7Very low46.8Very low91 Ų91110.2 Ų110.264%0.63656%0.56SS**THydrogen-bonded Turntrans-88.75.9-174460000115.5T336 H337T336-S340 PolarHBondContact O-N 2.67Å; T336-S340 PolarHBondContact O-OG 3.1Å; H337-S340 PolarHBondContact O-OG 3.13Å
341Q38.5Very low45.1Very low148 Ų148112.8 Ų112.869%0.69258%0.577SS**THydrogen-bonded Turntrans-101.513.7-177.7-108.3-175.90.300114.9
342D28.7Very low43.4Very low99 Ų99118.4 Ų118.453%0.52961%0.605SS.*  trans-95.299.6177.8-73.1-26.8000111.6K438D342-K438 IonicContact OD1-NZ 2.67Å; D342-K438 PolarHBondContact OD1-NZ 3.5Å
343Q33.2Very low42.3Very low186 Ų186122.6 Ų122.687%0.86963%0.63SS**  trans-176.397.3138-101.9176.836.600108.1
344L28.2Very low41.7Very low166 Ų166122.2 Ų122.287%0.86962%0.624SS**SBendtrans-170.797.9148.5-98165.1000108.4
345T30.9Very low41.4Very low130 Ų130118.8 Ų118.880%0.79861%0.612SS**  trans14.8118.2153.751.20000119.3
346D30.5Very low41.3Very low148 Ų148123.3 Ų123.379%0.79164%0.639SS**  trans-66.7131.1150.4-70.7-42.4000110.3
347E31.1Very low41.4Very low188 Ų188125.6 Ų125.688%0.87965%0.65SS**  trans-169.1150.6136.3-104176.5-150.700108.7
348E30.7Very low41.7Very low195 Ų195123.8 Ų123.891%0.91164%0.644SS**  trans96.975.3177.3-51.5-174.817600117
349E33Very low42.8Very low192 Ų192124 Ų12490%0.89765%0.647SS**  trans-90.3121.5143.3-80-169.8151.200109.4
350E33.6Very low44.1Very low183 Ų183126.4 Ų126.486%0.85565%0.649SS**  177.2156112.7-98.5-172.9163.200112.3
351D37.7Very low45.4Very low163 Ų163125.5 Ų125.587%0.87264%0.643SS**  trans74.674.4178.7-73-14.5000118.2
352M40.3Very low47.1Very low120 Ų120119.2 Ų119.259%0.59161%0.614SS**  trans-122.4118.5164-146.3-174.4165.800112.2K428M352-K428 PolarHBondContact SD-NZ 3.34Å
353V49.2Very low49.4Very low101 Ų101119.5 Ų119.561%0.61261%0.612SS**  trans-61.6131.1172.8178.70000109.9D357 L358V353-D357 HydrophobicContact CG1-CB 4.14Å; V353-L358 HydrophobicContact CG1-CG 4.49Å
354S53Low51.5Low43 Ų43117.1 Ų117.130%0.30160%0.599SS.*  trans-66.4145.1-176.288.90000112.3V356 D357 L358S354-V356 PolarHBondContact O-N 3.05Å; S354-V356 VanDerWaalsContact O-N 3.1Å; S354-V356 PolarHBondContact OG-N 2.94Å; S354-D357 PolarHBondContact O-N 3.3Å; S354-D357 PolarHBondContact OG-N 2.83Å; S354-D357 PolarHBondContact OG-OD2 3.15Å; S354-L358 PolarHBondContact O-N 2.98Å
355A57.7Low53.5Low7 Ų7110.8 Ų110.86%0.05857%0.57CS.*Hα-helixtrans-65.4-16.9177.700000112.7K359 T422 E425A355-K359 WeakPolarHBondContact O-CB 3.29Å; A355-K359 PolarHBondContact O-N 3.03Å; A355-T422 HydrophobicContact CB-CG2 3.96Å; A355-E425 VanDerWaalsContact CB-CD 3.45Å; A355-E425 WeakPolarHBondContact CB-OE1 3.31Å; A355-E425 WeakPolarHBondContact CB-OE2 3.47Å; A355-E425 PolarHBondContact N-OE1 3.27Å; A355-E425 VanDerWaalsContact N-OE1 3.16Å
356V59.1Low55.7Low103 Ų103107.8 Ų107.862%0.62455%0.547SS*.Hα-helixtrans-65.7-40.7173.5-176.80000110.8S354 K359 K360S354-V356 PolarHBondContact O-N 3.05Å; S354-V356 VanDerWaalsContact O-N 3.1Å; S354-V356 PolarHBondContact OG-N 2.94Å; V356-K359 PolarHBondContact O-N 3.42Å; V356-K360 PolarHBondContact O-N 3.13Å; V356-K360 VanDerWaalsContact O-N 3.11Å
357D62.1Low57.9Low84 Ų84104.2 Ų104.245%0.44953%0.534SS..Hα-helixtrans-72.4-35.1179.2-63.5-53.2000112.2V353 S354 S361V353-D357 HydrophobicContact CG1-CB 4.14Å; S354-D357 PolarHBondContact O-N 3.3Å; S354-D357 PolarHBondContact OG-N 2.83Å; S354-D357 PolarHBondContact OG-OD2 3.15Å; D357-S361 WeakPolarHBondContact O-CB 3.45Å; D357-S361 PolarHBondContact O-N 3.2Å; D357-S361 PolarHBondContact O-OG 3.16Å
358L62.4Low59.9Low68 Ų6898.8 Ų98.836%0.35652%0.516SS..Hα-helixtrans-67.8-40.6173.3-75.7163.7000111.8V353 S354 S361 L362 L418 F421V353-L358 HydrophobicContact CG1-CG 4.49Å; S354-L358 PolarHBondContact O-N 2.98Å; L358-S361 PolarHBondContact O-N 2.92Å; L358-L362 PolarHBondContact O-N 3.48Å; L358-L418 HydrophobicContact CB-CD1 3.65Å; L358-F421 HydrophobicContact CD1-CD2 4.42Å
359K71.9Confident62.1Low115 Ų11590.5 Ų90.550%0.548%0.477SS..Hα-helixtrans-62.3-43.9175.4-174.9173.8179.2-174.40112A355 V356 S361 L362 E363 L418A355-K359 WeakPolarHBondContact O-CB 3.29Å; A355-K359 PolarHBondContact O-N 3.03Å; V356-K359 PolarHBondContact O-N 3.42Å; K359-S361 VanDerWaalsContact C-N 3.29Å; K359-S361 PolarHBondContact O-N 3.21Å; K359-L362 PolarHBondContact O-N 2.9Å; K359-E363 WeakPolarHBondContact CE-OE1 3.08Å; K359-E363 WeakPolarHBondContact O-CG 3.37Å; K359-E363 PolarHBondContact O-N 2.84Å; K359-L418 HydrophobicContact CB-CD1 4.18Å; K359-L418 HydrophobicContact CB-CD2 3.82Å; K359-L418 HydrophobicContact CG-CD2 3.9Å
360K73.4Confident64.3Low125 Ų12587.4 Ų87.454%0.54346%0.463SS..Hα-helixtrans-64.8-34.3176.8-165.8176-175.5177.20112.3V356 K364V356-K360 PolarHBondContact O-N 3.13Å; V356-K360 VanDerWaalsContact O-N 3.11Å; K360-K364 WeakPolarHBondContact O-CG 3.49Å; K360-K364 PolarHBondContact O-N 3.3Å
361S68.8Low66.4Low72 Ų7286.2 Ų86.250%0.50345%0.45SS..Hα-helixtrans-71.3-37.4175.7-60.30000112D357 L358 K359 K364 A365D357-S361 WeakPolarHBondContact O-CB 3.45Å; D357-S361 PolarHBondContact O-N 3.2Å; D357-S361 PolarHBondContact O-OG 3.16Å; L358-S361 PolarHBondContact O-N 2.92Å; K359-S361 VanDerWaalsContact C-N 3.29Å; K359-S361 PolarHBondContact O-N 3.21Å; S361-K364 PolarHBondContact O-N 3.16Å; S361-A365 PolarHBondContact O-N 3.25Å
362L74.6Confident68.2Low16 Ų1681.7 Ų81.78%0.08443%0.426CS..Hα-helixtrans-65-45172.7-178.769.9000112L358 K359 K364 A365 Q366 L414 L418L358-L362 PolarHBondContact O-N 3.48Å; K359-L362 PolarHBondContact O-N 2.9Å; L362-K364 VanDerWaalsContact C-N 3.28Å; L362-K364 PolarHBondContact O-N 3.06Å; L362-A365 WeakPolarHBondContact O-CB 3.35Å; L362-A365 PolarHBondContact O-N 2.96Å; L362-A365 VanDerWaalsContact O-N 3.09Å; L362-Q366 HydrophobicContact CG-CG 4.46Å; L362-Q366 WeakPolarHBondContact O-CG 3.43Å; L362-Q366 PolarHBondContact O-N 3.04Å; L362-L414 HydrophobicContact CD1-CB 3.52Å; L362-L418 HydrophobicContact CB-CD2 4.36Å; L362-L418 HydrophobicContact CD2-CB 4.15Å; L362-L418 HydrophobicContact CD2-CD2 3.47Å; L362-L418 VanDerWaalsContact CD2-CD2 3.47Å; L362-L418 HydrophobicContact CD2-CG 4.46Å
363E77Confident69.8Low105 Ų10578 Ų7849%0.49141%0.408SS..Hα-helixtrans-60.2-39.1177.2-74.4171.6-177.100111.5K359 S367K359-E363 WeakPolarHBondContact CE-OE1 3.08Å; K359-E363 WeakPolarHBondContact O-CG 3.37Å; K359-E363 PolarHBondContact O-N 2.84Å; E363-S367 WeakPolarHBondContact O-CB 3.42Å; E363-S367 PolarHBondContact O-N 3.33Å
364K76.4Confident71.2Confident135 Ų13579.9 Ų79.959%0.58740%0.404SS*.Hα-helixtrans-63.5-43.6172-75.4177.6-179.6179.90112.3K360 S361 L362 S367 C368K360-K364 WeakPolarHBondContact O-CG 3.49Å; K360-K364 PolarHBondContact O-N 3.3Å; S361-K364 PolarHBondContact O-N 3.16Å; L362-K364 VanDerWaalsContact C-N 3.28Å; L362-K364 PolarHBondContact O-N 3.06Å; K364-S367 PolarHBondContact O-N 3.3Å; K364-C368 PolarHBondContact O-N 3.3Å; K364-C368 PolarHBondContact O-SG 2.98Å; K364-C368 VanDerWaalsContact O-SG 3.41Å
365A69.9Low72.3Confident33 Ų3382 Ų8227%0.27341%0.41SS..Hα-helixtrans-63.6-42.6178.200000112S361 L362 C368 Q369S361-A365 PolarHBondContact O-N 3.25Å; L362-A365 WeakPolarHBondContact O-CB 3.35Å; L362-A365 PolarHBondContact O-N 2.96Å; L362-A365 VanDerWaalsContact O-N 3.09Å; A365-C368 WeakPolarHBondContact O-CB 3.44Å; A365-C368 PolarHBondContact O-N 3.38Å; A365-Q369 WeakPolarHBondContact O-CB 3.28Å; A365-Q369 PolarHBondContact O-N 3.2Å
366Q77.2Confident73Confident68 Ų6882.8 Ų82.832%0.31841%0.412SS..Hα-helixtrans-64.5-40.4175.3-71.9175.8-13.500112L362 C368 Q369 Q370 C411L362-Q366 HydrophobicContact CG-CG 4.46Å; L362-Q366 WeakPolarHBondContact O-CG 3.43Å; L362-Q366 PolarHBondContact O-N 3.04Å; Q366-C368 VanDerWaalsContact C-N 3.35Å; Q366-C368 PolarHBondContact O-N 3.35Å; Q366-Q369 PolarHBondContact O-N 3.45Å; Q366-Q370 WeakPolarHBondContact O-CG 3.47Å; Q366-Q370 PolarHBondContact O-N 3.36Å; Q366-C411 HydrophobicContact CG-CB 4.47Å
367S77.2Confident73.7Confident73 Ų7381.2 Ų81.251%0.5141%0.406SS..Hα-helixtrans-63.7-40.2174.9-169.60000112.2E363 K364 R371E363-S367 WeakPolarHBondContact O-CB 3.42Å; E363-S367 PolarHBondContact O-N 3.33Å; K364-S367 PolarHBondContact O-N 3.3Å; S367-R371 WeakPolarHBondContact O-CB 3.46Å; S367-R371 PolarHBondContact O-N 3.18Å
368C73.5Confident74.4Confident73 Ų7380.8 Ų80.849%0.49340%0.404SS..Hα-helixtrans-63.5-40.2173.6-75.10000112.2K364 A365 Q366 R371 L372K364-C368 PolarHBondContact O-N 3.3Å; K364-C368 PolarHBondContact O-SG 2.98Å; K364-C368 VanDerWaalsContact O-SG 3.41Å; A365-C368 WeakPolarHBondContact O-CB 3.44Å; A365-C368 PolarHBondContact O-N 3.38Å; Q366-C368 VanDerWaalsContact C-N 3.35Å; Q366-C368 PolarHBondContact O-N 3.35Å; C368-R371 PolarHBondContact O-N 3.35Å; C368-L372 WeakPolarHBondContact O-CB 3.45Å; C368-L372 PolarHBondContact O-N 3.5Å
369Q76.7Confident74.8Confident22 Ų2282.5 Ų82.510%0.10341%0.408CS..Hα-helixtrans-65.1-45.2177.6-175.3-86-19.400111.6A365 Q366 R371 L372 D373A365-Q369 WeakPolarHBondContact O-CB 3.28Å; A365-Q369 PolarHBondContact O-N 3.2Å; Q366-Q369 PolarHBondContact O-N 3.45Å; Q369-R371 VanDerWaalsContact C-N 3.32Å; Q369-R371 PolarHBondContact O-N 3.42Å; Q369-L372 WeakPolarHBondContact O-CB 3.05Å; Q369-L372 PolarHBondContact O-N 3.3Å; Q369-D373 PolarHBondContact NE2-OD2 3.28Å; Q369-D373 PolarHBondContact O-N 3.08Å
370Q78.2Confident74.6Confident127 Ų12779 Ų7959%0.59340%0.395SS*.Hα-helixtrans-63-37.9175.2-71.7177.5-1.400112.6Q366 R374Q366-Q370 WeakPolarHBondContact O-CG 3.47Å; Q366-Q370 PolarHBondContact O-N 3.36Å; Q370-R374 WeakPolarHBondContact O-CB 3.47Å; Q370-R374 PolarHBondContact O-N 3.01Å; Q370-R374 VanDerWaalsContact O-N 3.07Å
371R78.4Confident74.5Confident158 Ų15879.2 Ų79.260%0.59640%0.396SS*.Hα-helixtrans-65.2-42.3175.4-164.717574.9-172.24110.8S367 C368 Q369 R374 E375S367-R371 WeakPolarHBondContact O-CB 3.46Å; S367-R371 PolarHBondContact O-N 3.18Å; C368-R371 PolarHBondContact O-N 3.35Å; Q369-R371 VanDerWaalsContact C-N 3.32Å; Q369-R371 PolarHBondContact O-N 3.42Å; R371-R374 PolarHBondContact O-N 2.94Å; R371-E375 WeakPolarHBondContact O-CG 3.36Å; R371-E375 PolarHBondContact O-N 3.41Å
372L74.2Confident74.5Confident68 Ų6881.7 Ų81.736%0.35640%0.401SS..Hα-helixtrans-60.9-47.9176.3-178.364.5000111.4C368 Q369 R374 E375 I376C368-L372 WeakPolarHBondContact O-CB 3.45Å; C368-L372 PolarHBondContact O-N 3.5Å; Q369-L372 WeakPolarHBondContact O-CB 3.05Å; Q369-L372 PolarHBondContact O-N 3.3Å; L372-R374 VanDerWaalsContact C-N 3.27Å; L372-R374 PolarHBondContact O-N 3.24Å; L372-E375 PolarHBondContact O-N 3.3Å; L372-I376 HydrophobicContact CD1-CD1 4Å; L372-I376 HydrophobicContact CD1-CG1 4.3Å; L372-I376 HydrophobicContact CG-CD1 3.8Å; L372-I376 HydrophobicContact CG-CG1 4.46Å; L372-I376 WeakPolarHBondContact O-CB 3.27Å; L372-I376 VanDerWaalsContact O-CG1 3.27Å; L372-I376 WeakPolarHBondContact O-CG1 3.16Å; L372-I376 PolarHBondContact O-N 2.97Å
373D74.3Confident74Confident41 Ų4182.6 Ų82.622%0.21941%0.406CS..Hα-helixtrans-61-36.9178-75.4-12.6000112.4Q369 S377 S404Q369-D373 PolarHBondContact NE2-OD2 3.28Å; Q369-D373 PolarHBondContact O-N 3.08Å; D373-S377 VanDerWaalsContact O-CB 3.29Å; D373-S377 WeakPolarHBondContact O-CB 3.34Å; D373-S377 PolarHBondContact O-N 3.1Å; D373-S377 PolarHBondContact O-OG 3.04Å; D373-S404 PolarHBondContact OD1-OG 3.32Å
374R78.8Confident73.5Confident141 Ų14186.4 Ų86.453%0.53242%0.421SS..Hα-helixtrans-68.7-45.7176.4-169.8-172.168.5-1772.1112.1Q370 R371 L372 S377 N378Q370-R374 WeakPolarHBondContact O-CB 3.47Å; Q370-R374 PolarHBondContact O-N 3.01Å; Q370-R374 VanDerWaalsContact O-N 3.07Å; R371-R374 PolarHBondContact O-N 2.94Å; L372-R374 VanDerWaalsContact C-N 3.27Å; L372-R374 PolarHBondContact O-N 3.24Å; R374-S377 PolarHBondContact O-N 3.27Å; R374-N378 WeakPolarHBondContact O-CB 3.27Å; R374-N378 VanDerWaalsContact O-CG 3.26Å; R374-N378 PolarHBondContact O-N 3.43Å; R374-N378 PolarHBondContact O-ND2 2.83Å
375E75.8Confident72.8Confident89 Ų8986.5 Ų86.542%0.41642%0.423SS..Hα-helixtrans-66.4-38.5177.2-64.2-45.9138.800111.5R371 L372 N378 F379R371-E375 WeakPolarHBondContact O-CG 3.36Å; R371-E375 PolarHBondContact O-N 3.41Å; L372-E375 PolarHBondContact O-N 3.3Å; E375-N378 PolarHBondContact O-N 3.28Å; E375-F379 WeakPolarHBondContact O-CB 3.38Å; E375-F379 PolarHBondContact O-N 2.83Å
376I72.9Confident72.2Confident22 Ų2289.1 Ų89.111%0.11344%0.438CS..Hα-helixtrans-60.4-46.8171.9-71.6172.1000110L372 N378 F379 L380 V400L372-I376 HydrophobicContact CD1-CD1 4Å; L372-I376 HydrophobicContact CD1-CG1 4.3Å; L372-I376 HydrophobicContact CG-CD1 3.8Å; L372-I376 HydrophobicContact CG-CG1 4.46Å; L372-I376 WeakPolarHBondContact O-CB 3.27Å; L372-I376 VanDerWaalsContact O-CG1 3.27Å; L372-I376 WeakPolarHBondContact O-CG1 3.16Å; L372-I376 PolarHBondContact O-N 2.97Å; I376-N378 PolarHBondContact O-N 3.14Å; I376-F379 PolarHBondContact O-N 3.14Å; I376-L380 HydrophobicContact CG2-CD1 3.8Å; I376-L380 HydrophobicContact CG2-CG 4.23Å; I376-L380 WeakPolarHBondContact O-CB 3.49Å; I376-L380 WeakPolarHBondContact O-CG 3.48Å; I376-L380 PolarHBondContact O-N 2.99Å; I376-V400 HydrophobicContact CB-CG1 4.39Å; I376-V400 HydrophobicContact CD1-CG1 4.03Å; I376-V400 HydrophobicContact CG1-CG1 3.96Å; I376-V400 HydrophobicContact CG2-CG1 3.59Å
377S74.8Confident71.2Confident70 Ų7093.4 Ų93.449%0.4946%0.464SS..Hα-helixtrans-62.6-41.2178.1-63.70000112.7D373 R374 K381D373-S377 VanDerWaalsContact O-CB 3.29Å; D373-S377 WeakPolarHBondContact O-CB 3.34Å; D373-S377 PolarHBondContact O-N 3.1Å; D373-S377 PolarHBondContact O-OG 3.04Å; R374-S377 PolarHBondContact O-N 3.27Å; S377-K381 WeakPolarHBondContact O-CB 3.17Å; S377-K381 PolarHBondContact O-N 3.44Å
378N76.7Confident70.1Confident75 Ų7598.3 Ų98.340%0.40148%0.481SS..Hα-helixtrans-65.9-42.8175.9-73.4-18.7000111.6R374 E375 I376 K381 M382R374-N378 WeakPolarHBondContact O-CB 3.27Å; R374-N378 VanDerWaalsContact O-CG 3.26Å; R374-N378 PolarHBondContact O-N 3.43Å; R374-N378 PolarHBondContact O-ND2 2.83Å; E375-N378 PolarHBondContact O-N 3.28Å; I376-N378 PolarHBondContact O-N 3.14Å; N378-K381 WeakPolarHBondContact O-CB 3.46Å; N378-K381 PolarHBondContact O-N 3.46Å; N378-M382 PolarHBondContact O-N 3.28Å
379F70.4Confident69.1Low104 Ų10497.1 Ų97.146%0.45648%0.476SS..Hα-helixtrans-65.1-41.7177.3-171.5-105.5000111.7E375 I376 K381 M382 I383 F396E375-F379 WeakPolarHBondContact O-CB 3.38Å; E375-F379 PolarHBondContact O-N 2.83Å; I376-F379 PolarHBondContact O-N 3.14Å; F379-K381 VanDerWaalsContact C-N 3.27Å; F379-K381 PolarHBondContact O-N 3.42Å; F379-M382 PolarHBondContact O-N 3.47Å; F379-I383 HydrophobicContact CD1-CD1 3.59Å; F379-I383 HydrophobicContact CD1-CG1 4.44Å; F379-I383 HydrophobicContact CE1-CD1 3.24Å; F379-I383 HydrophobicContact CE1-CG1 4.24Å; F379-I383 HydrophobicContact CG-CD1 4.4Å; F379-I383 HydrophobicContact CZ-CD1 3.81Å; F379-I383 HydrophobicContact CZ-CG1 4.46Å; F379-I383 WeakPolarHBondContact O-CB 3.39Å; F379-I383 VanDerWaalsContact O-CG1 3.32Å; F379-I383 WeakPolarHBondContact O-CG1 3.45Å; F379-I383 PolarHBondContact O-N 2.84Å; F379-F396 HydrophobicContact CE1-CE1 4.04Å
380L68.4Low68.2Low43 Ų43105.7 Ų105.723%0.22551%0.513CS..Hα-helixtrans-60.9-35.9172-72.1173.2000112.1I376 K384 L397I376-L380 HydrophobicContact CG2-CD1 3.8Å; I376-L380 HydrophobicContact CG2-CG 4.23Å; I376-L380 WeakPolarHBondContact O-CB 3.49Å; I376-L380 WeakPolarHBondContact O-CG 3.48Å; I376-L380 PolarHBondContact O-N 2.99Å; L380-K384 VanDerWaalsContact O-CG 3.3Å; L380-K384 WeakPolarHBondContact O-CG 3.06Å; L380-K384 PolarHBondContact O-N 3.15Å; L380-K384 VanDerWaalsContact O-N 3.13Å; L380-L397 HydrophobicContact CD2-CD2 3.12Å
381K71.3Confident67.1Low129 Ų129108.2 Ų108.256%0.56153%0.525SS*.Hα-helixtrans-72.2-44176.5-165.7179177.6-174.30112S377 N378 F379 I383 K384 E385S377-K381 WeakPolarHBondContact O-CB 3.17Å; S377-K381 PolarHBondContact O-N 3.44Å; N378-K381 WeakPolarHBondContact O-CB 3.46Å; N378-K381 PolarHBondContact O-N 3.46Å; F379-K381 VanDerWaalsContact C-N 3.27Å; F379-K381 PolarHBondContact O-N 3.42Å; K381-I383 VanDerWaalsContact C-N 3.33Å; K381-I383 PolarHBondContact O-N 2.61Å; K381-K384 WeakPolarHBondContact O-CB 3.03Å; K381-K384 PolarHBondContact O-N 2.85Å; K381-K384 VanDerWaalsContact O-N 3.16Å; K381-E385 WeakPolarHBondContact CE-OE1 3.43Å; K381-E385 WeakPolarHBondContact O-CG 3.25Å; K381-E385 PolarHBondContact O-N 3.16Å
382M67.8Low65.9Low123 Ų123108.1 Ų108.161%0.60653%0.533SS*.Hα-helixtrans-60.9-40.3173.5-76.4-179.666.800112.3N378 F379 K384 E385 C386N378-M382 PolarHBondContact O-N 3.28Å; F379-M382 PolarHBondContact O-N 3.47Å; M382-K384 VanDerWaalsContact C-N 3.32Å; M382-K384 PolarHBondContact O-N 2.8Å; M382-E385 PolarHBondContact O-N 3.08Å; M382-C386 PolarHBondContact O-N 3.16Å
383I65.1Low65.2Low36 Ų36107.4 Ų107.419%0.18553%0.529CS..Hα-helixtrans-63.6-38.4175-76.2174.9000111.5F379 K381 E385 L393F379-I383 HydrophobicContact CD1-CD1 3.59Å; F379-I383 HydrophobicContact CD1-CG1 4.44Å; F379-I383 HydrophobicContact CE1-CD1 3.24Å; F379-I383 HydrophobicContact CE1-CG1 4.24Å; F379-I383 HydrophobicContact CG-CD1 4.4Å; F379-I383 HydrophobicContact CZ-CD1 3.81Å; F379-I383 HydrophobicContact CZ-CG1 4.46Å; F379-I383 WeakPolarHBondContact O-CB 3.39Å; F379-I383 VanDerWaalsContact O-CG1 3.32Å; F379-I383 WeakPolarHBondContact O-CG1 3.45Å; F379-I383 PolarHBondContact O-N 2.84Å; K381-I383 VanDerWaalsContact C-N 3.33Å; K381-I383 PolarHBondContact O-N 2.61Å; I383-E385 VanDerWaalsContact C-N 3.27Å; I383-E385 PolarHBondContact O-N 3.21Å; I383-L393 HydrophobicContact CG2-CD1 3.76Å; I383-L393 HydrophobicContact CG2-CD2 4.03Å; I383-L393 HydrophobicContact CG2-CG 4.36Å
384K64.9Low64.6Low184 Ų184110.3 Ų110.380%0.855%0.55SS**Hα-helixtrans-69.1-25.1175.6-76.7175-178.9179.60112.9L380 K381 M382L380-K384 VanDerWaalsContact O-CG 3.3Å; L380-K384 WeakPolarHBondContact O-CG 3.06Å; L380-K384 PolarHBondContact O-N 3.15Å; L380-K384 VanDerWaalsContact O-N 3.13Å; K381-K384 WeakPolarHBondContact O-CB 3.03Å; K381-K384 PolarHBondContact O-N 2.85Å; K381-K384 VanDerWaalsContact O-N 3.16Å; M382-K384 VanDerWaalsContact C-N 3.32Å; M382-K384 PolarHBondContact O-N 2.8Å
385E62.8Low63.7Low137 Ų137107.1 Ų107.164%0.6455%0.549SS*.Hα-helixtrans-88.5-21.1178.9-71.4172.8-172.100113.1K381 M382 I383 D387K381-E385 WeakPolarHBondContact CE-OE1 3.43Å; K381-E385 WeakPolarHBondContact O-CG 3.25Å; K381-E385 PolarHBondContact O-N 3.16Å; M382-E385 PolarHBondContact O-N 3.08Å; I383-E385 VanDerWaalsContact C-N 3.27Å; I383-E385 PolarHBondContact O-N 3.21Å; E385-D387 PolarHBondContact O-N 3.07Å
386C57Low63.2Low88 Ų88108 Ų10860%0.59555%0.552SS**  trans-84.4108.9171.9-81.80000111.7M382 M388M382-C386 PolarHBondContact O-N 3.16Å; C386-M388 PolarHBondContact O-N 2.8Å
387D55.3Low62.9Low158 Ų158109.2 Ų109.285%0.84556%0.559SS**SBendtrans-71.123.1-178.3-137.5-4.7000114.8E385E385-D387 PolarHBondContact O-N 3.07Å
388M55.5Low62.5Low176 Ų176112.1 Ų112.187%0.86756%0.564SS**  trans-139.865.6-173.7-71.4-69.4-66.600112C386C386-M388 PolarHBondContact O-N 2.8Å
389A52.3Low62.3Low48 Ų48115.9 Ų115.940%0.39758%0.577SS.*  trans-15965.3162.600000112.3L393A389-L393 HydrophobicContact CB-CD1 3.8Å
390K56.4Low62.2Low203 Ų203112.3 Ų112.388%0.88356%0.564SS**SBendtrans-87.8-1.4-177.9-98.3178.8179.8170.20116.5
391E55.2Low62.2Low180 Ų180116.4 Ų116.484%0.84158%0.582SS**SBendtrans-130.2-4.9-172.6-72.7-173.3161.200117.8
392M54.6Low62.3Low156 Ų156114.6 Ų114.677%0.76858%0.581SS**SBendtrans-121.15177.3-77.7-75.3134.400114.4
393L58.6Low62.6Low53 Ų53112.9 Ų112.928%0.27758%0.578SS.*Hα-helixtrans-80.9-40.7-159.8-142.773.7000116.5I383 A389 S395 F396 L397I383-L393 HydrophobicContact CG2-CD1 3.76Å; I383-L393 HydrophobicContact CG2-CD2 4.03Å; I383-L393 HydrophobicContact CG2-CG 4.36Å; A389-L393 HydrophobicContact CB-CD1 3.8Å; L393-S395 PolarHBondContact O-N 3.01Å; L393-F396 PolarHBondContact O-N 3Å; L393-L397 HydrophobicContact CB-CD1 4.45Å; L393-L397 HydrophobicContact CD2-CD1 3.89Å; L393-L397 HydrophobicContact CG-CD1 3.7Å; L393-L397 HydrophobicContact CG-CG 4.13Å; L393-L397 WeakPolarHBondContact O-CB 3.27Å; L393-L397 WeakPolarHBondContact O-CG 3.29Å; L393-L397 PolarHBondContact O-N 3.16Å
394P61.7Low63Low101 Ų101112.4 Ų112.466%0.65658%0.577SS**Hα-helixtrans-67.1-42.2-169.9-21.332.3000113.7Q398P394-Q398 WeakPolarHBondContact O-CB 3.46Å; P394-Q398 PolarHBondContact O-N 3.11Å; P394-Q398 VanDerWaalsContact O-N 3.11Å
395S60.7Low63.5Low74 Ų74108.1 Ų108.152%0.51756%0.56SS.*Hα-helixtrans-73.2-30.2-177.857.50000113.1L393 K399L393-S395 PolarHBondContact O-N 3.01Å; S395-K399 WeakPolarHBondContact O-CG 2.97Å; S395-K399 PolarHBondContact O-N 3.31Å
396F65.9Low63.9Low107 Ų107103.8 Ų103.847%0.46955%0.548SS..Hα-helixtrans-76.1-43.7177.4-175.5-92.6000111F379 L393 Q398 K399 V400F379-F396 HydrophobicContact CE1-CE1 4.04Å; L393-F396 PolarHBondContact O-N 3Å; F396-Q398 VanDerWaalsContact C-N 3.33Å; F396-Q398 PolarHBondContact O-N 3.43Å; F396-K399 PolarHBondContact O-N 3.3Å; F396-V400 HydrophobicContact CD1-CG2 4.17Å; F396-V400 HydrophobicContact CE1-CG2 3.73Å; F396-V400 HydrophobicContact CZ-CG2 4.09Å; F396-V400 WeakPolarHBondContact O-CG2 2.88Å; F396-V400 PolarHBondContact O-N 3.47Å; F396-V400 VanDerWaalsContact O-N 3.11Å
397L66Low64.7Low48 Ų48101.2 Ų101.225%0.25153%0.531SS..Hα-helixtrans-58.7-44175.3-72.4174.2000112L380 L393 K399 V400 E401L380-L397 HydrophobicContact CD2-CD2 3.12Å; L393-L397 HydrophobicContact CB-CD1 4.45Å; L393-L397 HydrophobicContact CD2-CD1 3.89Å; L393-L397 HydrophobicContact CG-CD1 3.7Å; L393-L397 HydrophobicContact CG-CG 4.13Å; L393-L397 WeakPolarHBondContact O-CB 3.27Å; L393-L397 WeakPolarHBondContact O-CG 3.29Å; L393-L397 PolarHBondContact O-N 3.16Å; L397-K399 VanDerWaalsContact C-N 3.31Å; L397-K399 PolarHBondContact O-N 2.99Å; L397-V400 PolarHBondContact O-N 3.34Å; L397-E401 PolarHBondContact O-N 2.83Å
398Q67.1Low65.7Low131 Ų131100 Ų10061%0.61252%0.515SS*.Hα-helixtrans-61.5-38.4177.8-168175.219.500112.3P394 F396 V402P394-Q398 WeakPolarHBondContact O-CB 3.46Å; P394-Q398 PolarHBondContact O-N 3.11Å; P394-Q398 VanDerWaalsContact O-N 3.11Å; F396-Q398 VanDerWaalsContact C-N 3.33Å; F396-Q398 PolarHBondContact O-N 3.43Å; Q398-V402 VanDerWaalsContact O-CG2 3.24Å; Q398-V402 WeakPolarHBondContact O-CG2 3.3Å; Q398-V402 PolarHBondContact O-N 3.36Å; Q398-V402 VanDerWaalsContact O-N 3.07Å
399K70.8Confident66.7Low155 Ų15597.7 Ų97.767%0.67450%0.501SS*.Hα-helixtrans-68.8-35.3176.5-75-174.9179.9-174.80112.5S395 F396 L397 V403S395-K399 WeakPolarHBondContact O-CG 2.97Å; S395-K399 PolarHBondContact O-N 3.31Å; F396-K399 PolarHBondContact O-N 3.3Å; L397-K399 VanDerWaalsContact C-N 3.31Å; L397-K399 PolarHBondContact O-N 2.99Å; K399-V403 VanDerWaalsContact O-CG2 3.29Å; K399-V403 WeakPolarHBondContact O-CG2 3.43Å; K399-V403 PolarHBondContact O-N 3.01Å; K399-V403 VanDerWaalsContact O-N 3.09Å
400V69.9Low67.7Low28 Ų2899.3 Ų99.317%0.1751%0.506CS..Hα-helixtrans-69.8-39.5177.6175.50000111.2I376 F396 L397 V403 S404I376-V400 HydrophobicContact CB-CG1 4.39Å; I376-V400 HydrophobicContact CD1-CG1 4.03Å; I376-V400 HydrophobicContact CG1-CG1 3.96Å; I376-V400 HydrophobicContact CG2-CG1 3.59Å; F396-V400 HydrophobicContact CD1-CG2 4.17Å; F396-V400 HydrophobicContact CE1-CG2 3.73Å; F396-V400 HydrophobicContact CZ-CG2 4.09Å; F396-V400 WeakPolarHBondContact O-CG2 2.88Å; F396-V400 PolarHBondContact O-N 3.47Å; F396-V400 VanDerWaalsContact O-N 3.11Å; L397-V400 PolarHBondContact O-N 3.34Å; V400-V403 PolarHBondContact O-N 3.19Å; V400-S404 PolarHBondContact O-N 3.3Å
401E67.6Low68.6Low129 Ų12990.3 Ų90.360%0.60347%0.469SS*.Hα-helixtrans-62.3-45.1172.8-91.5174164.900112.1L397 V403 S404 E405L397-E401 PolarHBondContact O-N 2.83Å; E401-V403 VanDerWaalsContact C-N 3.29Å; E401-V403 PolarHBondContact O-N 3.46Å; E401-S404 PolarHBondContact O-N 3.09Å; E401-E405 WeakPolarHBondContact O-CB 3.48Å; E401-E405 PolarHBondContact O-N 3.21Å
402V73.4Confident69.5Low91 Ų9185.7 Ų85.755%0.55245%0.453SS*.Hα-helixtrans-61.2-37.3176.9171.30000111.8Q398 A406Q398-V402 VanDerWaalsContact O-CG2 3.24Å; Q398-V402 WeakPolarHBondContact O-CG2 3.3Å; Q398-V402 PolarHBondContact O-N 3.36Å; Q398-V402 VanDerWaalsContact O-N 3.07Å; V402-A406 VanDerWaalsContact O-CB 3.27Å; V402-A406 WeakPolarHBondContact O-CB 3.46Å; V402-A406 PolarHBondContact O-N 2.75Å
403V73.8Confident70.3Confident87 Ų8780.8 Ų80.853%0.52744%0.437SS..Hα-helixtrans-69.4-38.8177.11700000111.9K399 V400 E401 S407K399-V403 VanDerWaalsContact O-CG2 3.29Å; K399-V403 WeakPolarHBondContact O-CG2 3.43Å; K399-V403 PolarHBondContact O-N 3.01Å; K399-V403 VanDerWaalsContact O-N 3.09Å; V400-V403 PolarHBondContact O-N 3.19Å; E401-V403 VanDerWaalsContact C-N 3.29Å; E401-V403 PolarHBondContact O-N 3.46Å; V403-S407 WeakPolarHBondContact O-CB 3.18Å; V403-S407 PolarHBondContact O-N 3.29Å
404S73.4Confident70.9Confident26 Ų2682.3 Ų82.318%0.18245%0.445CS..Hα-helixtrans-65.5-43.8174.1171.50000111.2D373 V400 E401 S407 R408D373-S404 PolarHBondContact OD1-OG 3.32Å; V400-S404 PolarHBondContact O-N 3.3Å; E401-S404 PolarHBondContact O-N 3.09Å; S404-S407 PolarHBondContact O-N 2.85Å; S404-R408 PolarHBondContact O-N 3.21Å
405E74.7Confident71.5Confident95 Ų9579.1 Ų79.144%0.44443%0.425SS..Hα-helixtrans-65.4-45.7179.4-171.8142.4-127.400112.1E401 S407 R408 E409E401-E405 WeakPolarHBondContact O-CB 3.48Å; E401-E405 PolarHBondContact O-N 3.21Å; E405-S407 VanDerWaalsContact C-N 3.3Å; E405-S407 PolarHBondContact O-N 3.13Å; E405-R408 WeakPolarHBondContact O-CB 3.5Å; E405-R408 PolarHBondContact O-N 2.74Å; E405-R408 VanDerWaalsContact O-N 3.14Å; E405-R408 IonicContact OE1-NH2 2.77Å; E405-R408 PolarHBondContact OE1-NH2 3.03Å; E405-E409 WeakPolarHBondContact O-CG 3.45Å; E405-E409 PolarHBondContact O-N 3.1Å
406A71.7Confident72Confident45 Ų4579.8 Ų79.837%0.37242%0.423SS..Hα-helixtrans-61.9-36.9174.800000112.4V402 T410V402-A406 VanDerWaalsContact O-CB 3.27Å; V402-A406 WeakPolarHBondContact O-CB 3.46Å; V402-A406 PolarHBondContact O-N 2.75Å; A406-T410 WeakPolarHBondContact O-CB 3.38Å; A406-T410 PolarHBondContact O-N 3.49Å; A406-T410 PolarHBondContact O-OG1 2.97Å
407S74.6Confident72.1Confident34 Ų3477.5 Ų77.524%0.23842%0.42CS..Hα-helixtrans-65.6-39.1174.9-176.80000112V403 S404 E405 T410 C411V403-S407 WeakPolarHBondContact O-CB 3.18Å; V403-S407 PolarHBondContact O-N 3.29Å; S404-S407 PolarHBondContact O-N 2.85Å; E405-S407 VanDerWaalsContact C-N 3.3Å; E405-S407 PolarHBondContact O-N 3.13Å; S407-T410 PolarHBondContact O-N 3.36Å; S407-C411 PolarHBondContact O-N 3.07Å; S407-C411 VanDerWaalsContact O-N 3.17Å; S407-C411 PolarHBondContact O-SG 3.35Å
408R76.6Confident72.4Confident134 Ų13476 Ų7651%0.50641%0.412SS..Hα-helixtrans-66-47.6176.2-171.1177.868.6171.3-3.4111.7S404 E405 T410 C411 V412S404-R408 PolarHBondContact O-N 3.21Å; E405-R408 WeakPolarHBondContact O-CB 3.5Å; E405-R408 PolarHBondContact O-N 2.74Å; E405-R408 VanDerWaalsContact O-N 3.14Å; E405-R408 IonicContact OE1-NH2 2.77Å; E405-R408 PolarHBondContact OE1-NH2 3.03Å; R408-T410 VanDerWaalsContact C-N 3.29Å; R408-T410 PolarHBondContact O-N 3.07Å; R408-C411 PolarHBondContact O-N 3.13Å; R408-C411 VanDerWaalsContact O-N 3.16Å; R408-V412 WeakPolarHBondContact O-CG2 3.41Å; R408-V412 PolarHBondContact O-N 3.43Å
409E76.1Confident72.4Confident126 Ų12673.6 Ų73.659%0.58940%0.403SS*.Hα-helixtrans-60.3-39.9176.8-72-179.2175.300112E405 C411 V412 A413E405-E409 WeakPolarHBondContact O-CG 3.45Å; E405-E409 PolarHBondContact O-N 3.1Å; E409-C411 VanDerWaalsContact C-N 3.33Å; E409-C411 PolarHBondContact O-N 3.41Å; E409-V412 PolarHBondContact O-N 3.36Å; E409-A413 PolarHBondContact O-N 3.05Å
410T73.2Confident72.2Confident82 Ų8271.7 Ų71.750%0.50340%0.4SS..Hα-helixtrans-61.8-39.7175.8-56.50000111.8A406 S407 R408 L414A406-T410 WeakPolarHBondContact O-CB 3.38Å; A406-T410 PolarHBondContact O-N 3.49Å; A406-T410 PolarHBondContact O-OG1 2.97Å; S407-T410 PolarHBondContact O-N 3.36Å; R408-T410 VanDerWaalsContact C-N 3.29Å; R408-T410 PolarHBondContact O-N 3.07Å; T410-L414 HydrophobicContact CG2-CD1 4.11Å; T410-L414 WeakPolarHBondContact O-CB 3.13Å; T410-L414 WeakPolarHBondContact O-CG 3.41Å; T410-L414 PolarHBondContact O-N 3.49Å
411C74.8Confident72Confident14 Ų1474.4 Ų74.410%0.09541%0.41CS..Hα-helixtrans-68.7-35176.1-72.60000112.9Q366 S407 R408 E409 S415Q366-C411 HydrophobicContact CG-CB 4.47Å; S407-C411 PolarHBondContact O-N 3.07Å; S407-C411 VanDerWaalsContact O-N 3.17Å; S407-C411 PolarHBondContact O-SG 3.35Å; R408-C411 PolarHBondContact O-N 3.13Å; R408-C411 VanDerWaalsContact O-N 3.16Å; E409-C411 VanDerWaalsContact C-N 3.33Å; E409-C411 PolarHBondContact O-N 3.41Å; C411-S415 WeakPolarHBondContact O-CB 3.27Å; C411-S415 PolarHBondContact O-N 3.06Å
412V75.1Confident71.7Confident83 Ų8370.1 Ų70.150%0.50339%0.392SS..Hα-helixtrans-65.8-47.7174.6173.90000110.2R408 E409 L414 S415 D416R408-V412 WeakPolarHBondContact O-CG2 3.41Å; R408-V412 PolarHBondContact O-N 3.43Å; E409-V412 PolarHBondContact O-N 3.36Å; V412-L414 VanDerWaalsContact C-N 3.35Å; V412-L414 PolarHBondContact O-N 3.38Å; V412-S415 WeakPolarHBondContact O-CA 3.48Å; V412-S415 WeakPolarHBondContact O-CB 3.23Å; V412-S415 PolarHBondContact O-N 2.96Å; V412-S415 VanDerWaalsContact O-N 3.08Å; V412-D416 PolarHBondContact O-N 3.44Å
413A69.8Low71.3Confident53 Ų5372.5 Ų72.544%0.43840%0.395SS..Hα-helixtrans-60.4-42177.300000112.5E409 S415 D416 C417E409-A413 PolarHBondContact O-N 3.05Å; A413-S415 VanDerWaalsContact C-N 3.31Å; A413-S415 PolarHBondContact O-N 2.72Å; A413-D416 PolarHBondContact O-N 3Å; A413-C417 PolarHBondContact O-N 3.33Å; A413-C417 PolarHBondContact O-SG 3.28Å; A413-C417 VanDerWaalsContact O-SG 3.36Å
414L72.8Confident70.5Confident85 Ų8573 Ų7345%0.44539%0.391SS..Hα-helixtrans-64.4-34.6174.9-76.1164.6000112.4L362 T410 V412 L418L362-L414 HydrophobicContact CD1-CB 3.52Å; T410-L414 HydrophobicContact CG2-CD1 4.11Å; T410-L414 WeakPolarHBondContact O-CB 3.13Å; T410-L414 WeakPolarHBondContact O-CG 3.41Å; T410-L414 PolarHBondContact O-N 3.49Å; V412-L414 VanDerWaalsContact C-N 3.35Å; V412-L414 PolarHBondContact O-N 3.38Å; L414-L418 PolarHBondContact O-N 3.32Å
415S73.8Confident69.9Low35 Ų3574.9 Ų74.925%0.24540%0.397CS..Hα-helixtrans-67.7-40.5174.7-173.90000112.2C411 V412 A413 L418 N419C411-S415 WeakPolarHBondContact O-CB 3.27Å; C411-S415 PolarHBondContact O-N 3.06Å; V412-S415 WeakPolarHBondContact O-CA 3.48Å; V412-S415 WeakPolarHBondContact O-CB 3.23Å; V412-S415 PolarHBondContact O-N 2.96Å; V412-S415 VanDerWaalsContact O-N 3.08Å; A413-S415 VanDerWaalsContact C-N 3.31Å; A413-S415 PolarHBondContact O-N 2.72Å; S415-L418 PolarHBondContact O-N 3.43Å; S415-N419 PolarHBondContact O-N 3.26Å; S415-N419 PolarHBondContact O-ND2 2.94Å
416D71.7Confident69.2Low87 Ų8779.4 Ų79.447%0.46541%0.411SS..Hα-helixtrans-67.1-39.8176-71-22.4000111.9V412 A413 L418 N419 L420V412-D416 PolarHBondContact O-N 3.44Å; A413-D416 PolarHBondContact O-N 3Å; D416-L418 PolarHBondContact O-N 3.45Å; D416-N419 PolarHBondContact O-N 2.9Å; D416-L420 WeakPolarHBondContact O-CG 3.48Å; D416-L420 PolarHBondContact O-N 3.35Å
417C68.4Low68.5Low59 Ų5981.3 Ų81.340%0.39942%0.417SS..Hα-helixtrans-59-45.6170.8-73.40000111.7A413 N419 L420 F421A413-C417 PolarHBondContact O-N 3.33Å; A413-C417 PolarHBondContact O-SG 3.28Å; A413-C417 VanDerWaalsContact O-SG 3.36Å; C417-N419 VanDerWaalsContact C-N 3.32Å; C417-N419 PolarHBondContact O-N 3.45Å; C417-L420 WeakPolarHBondContact O-CB 3.49Å; C417-L420 PolarHBondContact O-N 2.99Å; C417-L420 VanDerWaalsContact O-N 3.15Å; C417-F421 HydrophobicContact CB-CD2 4.43Å; C417-F421 HydrophobicContact CB-CE2 4.24Å; C417-F421 WeakPolarHBondContact O-CD2 3.39Å; C417-F421 PolarHBondContact O-N 2.92Å
418L71.8Confident67.5Low17 Ų1784.5 Ų84.59%0.08943%0.427CS..Hα-helixtrans-62.5-38176.9-175.371.6000112.3L358 K359 L362 L414 S415 D416 L420 F421 T422L358-L418 HydrophobicContact CB-CD1 3.65Å; K359-L418 HydrophobicContact CB-CD1 4.18Å; K359-L418 HydrophobicContact CB-CD2 3.82Å; K359-L418 HydrophobicContact CG-CD2 3.9Å; L362-L418 HydrophobicContact CB-CD2 4.36Å; L362-L418 HydrophobicContact CD2-CB 4.15Å; L362-L418 HydrophobicContact CD2-CD2 3.47Å; L362-L418 VanDerWaalsContact CD2-CD2 3.47Å; L362-L418 HydrophobicContact CD2-CG 4.46Å; L414-L418 PolarHBondContact O-N 3.32Å; S415-L418 PolarHBondContact O-N 3.43Å; D416-L418 PolarHBondContact O-N 3.45Å; L418-L420 VanDerWaalsContact C-N 3.3Å; L418-L420 PolarHBondContact O-N 3.5Å; L418-F421 PolarHBondContact O-N 3.02Å; L418-T422 HydrophobicContact CD1-CG2 4.46Å; L418-T422 HydrophobicContact CG-CG2 4.4Å; L418-T422 WeakPolarHBondContact O-CB 3.44Å; L418-T422 WeakPolarHBondContact O-CG2 3.07Å; L418-T422 PolarHBondContact O-N 2.89Å; L418-T422 PolarHBondContact O-OG1 3.5Å
419N67.4Low66.5Low81 Ų8182 Ų8243%0.43342%0.424SS..Hα-helixtrans-64.4-35.4174.9-77.1-36.6000112.3S415 D416 C417 T422 K423S415-N419 PolarHBondContact O-N 3.26Å; S415-N419 PolarHBondContact O-ND2 2.94Å; D416-N419 PolarHBondContact O-N 2.9Å; C417-N419 VanDerWaalsContact C-N 3.32Å; C417-N419 PolarHBondContact O-N 3.45Å; N419-T422 WeakPolarHBondContact CA-OG1 3.38Å; N419-T422 PolarHBondContact O-OG1 3.42Å; N419-K423 WeakPolarHBondContact O-CB 3.41Å; N419-K423 VanDerWaalsContact O-CG 3.28Å; N419-K423 WeakPolarHBondContact O-CG 3.02Å; N419-K423 PolarHBondContact O-N 3.24Å; N419-K423 VanDerWaalsContact O-N 3.09Å
420L66.5Low65.5Low114 Ų11481.6 Ų81.660%0.59742%0.42SS*.Hα-helixtrans-69.8-45173.5-72.1167000111.3D416 C417 L418 K423 Q424D416-L420 WeakPolarHBondContact O-CG 3.48Å; D416-L420 PolarHBondContact O-N 3.35Å; C417-L420 WeakPolarHBondContact O-CB 3.49Å; C417-L420 PolarHBondContact O-N 2.99Å; C417-L420 VanDerWaalsContact O-N 3.15Å; L418-L420 VanDerWaalsContact C-N 3.3Å; L418-L420 PolarHBondContact O-N 3.5Å; L420-K423 PolarHBondContact O-N 3.37Å; L420-Q424 WeakPolarHBondContact O-CB 3.23Å; L420-Q424 PolarHBondContact O-N 3.32Å
421F64.3Low64.4Low86 Ų8684.2 Ų84.238%0.37742%0.424SS..Hα-helixtrans-64-41.4177.5-73.6-60000112.7L358 C417 L418 Q424 E425L358-F421 HydrophobicContact CD1-CD2 4.42Å; C417-F421 HydrophobicContact CB-CD2 4.43Å; C417-F421 HydrophobicContact CB-CE2 4.24Å; C417-F421 WeakPolarHBondContact O-CD2 3.39Å; C417-F421 PolarHBondContact O-N 2.92Å; L418-F421 PolarHBondContact O-N 3.02Å; F421-Q424 CarbonylContact O-C 3.54Å; F421-Q424 WeakPolarHBondContact O-CB 3.14Å; F421-Q424 PolarHBondContact O-N 2.87Å; F421-E425 WeakPolarHBondContact O-CB 3.46Å; F421-E425 PolarHBondContact O-N 3.31Å
422T62.7Low63.3Low38 Ų3887.9 Ų87.923%0.23344%0.443CS..Hα-helixtrans-68.9-32.9175.848.40000112.7A355 L418 N419 R426A355-T422 HydrophobicContact CB-CG2 3.96Å; L418-T422 HydrophobicContact CD1-CG2 4.46Å; L418-T422 HydrophobicContact CG-CG2 4.4Å; L418-T422 WeakPolarHBondContact O-CB 3.44Å; L418-T422 WeakPolarHBondContact O-CG2 3.07Å; L418-T422 PolarHBondContact O-N 2.89Å; L418-T422 PolarHBondContact O-OG1 3.5Å; N419-T422 WeakPolarHBondContact CA-OG1 3.38Å; N419-T422 PolarHBondContact O-OG1 3.42Å; T422-R426 WeakPolarHBondContact O-CB 3.48Å; T422-R426 WeakPolarHBondContact O-CG 3.42Å; T422-R426 PolarHBondContact O-N 2.95Å
423K63.9Low62.4Low142 Ų14290 Ų9062%0.61745%0.447SS*.Hα-helixtrans-64.4-41.9168.8-80.8175.4-179176.60111.3N419 L420 R426 V427N419-K423 WeakPolarHBondContact O-CB 3.41Å; N419-K423 VanDerWaalsContact O-CG 3.28Å; N419-K423 WeakPolarHBondContact O-CG 3.02Å; N419-K423 PolarHBondContact O-N 3.24Å; N419-K423 VanDerWaalsContact O-N 3.09Å; L420-K423 PolarHBondContact O-N 3.37Å; K423-R426 PolarHBondContact O-N 2.99Å; K423-V427 VanDerWaalsContact O-CG2 3.32Å; K423-V427 WeakPolarHBondContact O-CG2 3.49Å; K423-V427 PolarHBondContact O-N 3.38Å; K423-V427 VanDerWaalsContact O-N 3.08Å
424Q57.1Low61.3Low96 Ų9690.7 Ų90.745%0.44944%0.441SS..Hα-helixtrans-67.5-40.7178.3-165.7175.7500111.9L420 F421 V427 K428L420-Q424 WeakPolarHBondContact O-CB 3.23Å; L420-Q424 PolarHBondContact O-N 3.32Å; F421-Q424 CarbonylContact O-C 3.54Å; F421-Q424 WeakPolarHBondContact O-CB 3.14Å; F421-Q424 PolarHBondContact O-N 2.87Å; Q424-V427 PolarHBondContact O-N 3.46Å; Q424-K428 WeakPolarHBondContact O-CG 3.28Å; Q424-K428 PolarHBondContact O-N 2.97Å
425E60.7Low60Low66 Ų6690.1 Ų90.131%0.30844%0.436SS..Hα-helixtrans-66.2-38.5175.5-166.3-176.5-132.100111.6A355 F421 V427 K428 N429A355-E425 VanDerWaalsContact CB-CD 3.45Å; A355-E425 WeakPolarHBondContact CB-OE1 3.31Å; A355-E425 WeakPolarHBondContact CB-OE2 3.47Å; A355-E425 PolarHBondContact N-OE1 3.27Å; A355-E425 VanDerWaalsContact N-OE1 3.16Å; F421-E425 WeakPolarHBondContact O-CB 3.46Å; F421-E425 PolarHBondContact O-N 3.31Å; E425-V427 VanDerWaalsContact C-N 3.34Å; E425-V427 PolarHBondContact O-N 3.02Å; E425-K428 PolarHBondContact O-N 3.31Å; E425-N429 WeakPolarHBondContact O-CB 3.26Å; E425-N429 PolarHBondContact O-N 3.11Å
426R60.7Low58.9Low191 Ų19194 Ų9472%0.72145%0.451SS*.Hα-helixtrans-62.2-40171.3-77.7179.1-174-178.23112.7T422 K423 F430T422-R426 WeakPolarHBondContact O-CB 3.48Å; T422-R426 WeakPolarHBondContact O-CG 3.42Å; T422-R426 PolarHBondContact O-N 2.95Å; K423-R426 PolarHBondContact O-N 2.99Å; R426-F430 VanDerWaalsContact O-CB 3.26Å; R426-F430 WeakPolarHBondContact O-CB 3.44Å; R426-F430 PolarHBondContact O-N 2.96Å
427V57.5Low58Low85 Ų8594.5 Ų94.552%0.51545%0.45SS..Hα-helixtrans-68.1-39.2176.21720000110.7K423 Q424 E425 K431K423-V427 VanDerWaalsContact O-CG2 3.32Å; K423-V427 WeakPolarHBondContact O-CG2 3.49Å; K423-V427 PolarHBondContact O-N 3.38Å; K423-V427 VanDerWaalsContact O-N 3.08Å; Q424-V427 PolarHBondContact O-N 3.46Å; E425-V427 VanDerWaalsContact C-N 3.34Å; E425-V427 PolarHBondContact O-N 3.02Å; V427-K431 WeakPolarHBondContact O-CG 3.19Å; V427-K431 PolarHBondContact O-N 3.17Å
428K52.2Low57.4Low100 Ų10095.1 Ų95.144%0.43545%0.446SS..Hα-helixtrans-65.8-45.1174.1-75.2-172.2175.9-166.80112.2M352 Q424 E425 F430 K431 L432M352-K428 PolarHBondContact SD-NZ 3.34Å; Q424-K428 WeakPolarHBondContact O-CG 3.28Å; Q424-K428 PolarHBondContact O-N 2.97Å; E425-K428 PolarHBondContact O-N 3.31Å; K428-F430 VanDerWaalsContact C-N 3.33Å; K428-F430 PolarHBondContact O-N 3.02Å; K428-K431 CarbonylContact O-C 3.41Å; K428-K431 WeakPolarHBondContact O-CB 3.42Å; K428-K431 PolarHBondContact O-N 2.97Å; K428-L432 WeakPolarHBondContact O-CB 3.34Å; K428-L432 PolarHBondContact O-N 3.29Å
429N56.1Low56.3Low82 Ų8298.6 Ų98.644%0.43947%0.465SS..Hα-helixtrans-63.9-38.2176.1-74-10.1000111.9E425 L432 E433E425-N429 WeakPolarHBondContact O-CB 3.26Å; E425-N429 PolarHBondContact O-N 3.11Å; N429-L432 PolarHBondContact O-N 2.94Å; N429-E433 WeakPolarHBondContact O-CB 3.33Å; N429-E433 WeakPolarHBondContact O-CG 3.22Å; N429-E433 PolarHBondContact O-N 3.28Å
430F55.3Low55.8Low118 Ų11899.7 Ų99.752%0.51847%0.466SS..Hα-helixtrans-65.3-39.1173.7-178.5-98.9000112.2R426 K428 Q434R426-F430 VanDerWaalsContact O-CB 3.26Å; R426-F430 WeakPolarHBondContact O-CB 3.44Å; R426-F430 PolarHBondContact O-N 2.96Å; K428-F430 VanDerWaalsContact C-N 3.33Å; K428-F430 PolarHBondContact O-N 3.02Å; F430-Q434 HydrophobicContact CE1-CG 4.29Å; F430-Q434 PolarHBondContact O-N 3.05Å
431K50.2Low55.2Low136 Ų13698.1 Ų98.159%0.59146%0.457SS*.Hα-helixtrans-65.5-40.5171.6-78.1-175.7173.5-165.50111.9V427 K428 Q434 E435V427-K431 WeakPolarHBondContact O-CG 3.19Å; V427-K431 PolarHBondContact O-N 3.17Å; K428-K431 CarbonylContact O-C 3.41Å; K428-K431 WeakPolarHBondContact O-CB 3.42Å; K428-K431 PolarHBondContact O-N 2.97Å; K431-Q434 WeakPolarHBondContact O-CB 3.3Å; K431-Q434 PolarHBondContact O-N 3.11Å; K431-E435 WeakPolarHBondContact O-CB 3.35Å; K431-E435 PolarHBondContact O-N 3.35Å
432L50.7Low54.3Low91 Ų9199 Ų9948%0.47647%0.465SS..Hα-helixtrans-65.3-41.1176.6-176.466.2000111.5K428 N429 E435 Q436K428-L432 WeakPolarHBondContact O-CB 3.34Å; K428-L432 PolarHBondContact O-N 3.29Å; N429-L432 PolarHBondContact O-N 2.94Å; L432-E435 PolarHBondContact O-N 3.17Å; L432-Q436 HydrophobicContact CG-CG 4.49Å; L432-Q436 WeakPolarHBondContact O-CB 3.49Å; L432-Q436 VanDerWaalsContact O-CG 3.24Å; L432-Q436 WeakPolarHBondContact O-CG 3.44Å; L432-Q436 PolarHBondContact O-N 3.01Å
433E56.3Low53.7Low128 Ų128101 Ų10160%0.59848%0.481SS*.Hα-helixtrans-63.2-41172.5-78.3178.617500111.4N429 E435 Q436 E437N429-E433 WeakPolarHBondContact O-CB 3.33Å; N429-E433 WeakPolarHBondContact O-CG 3.22Å; N429-E433 PolarHBondContact O-N 3.28Å; E433-E435 VanDerWaalsContact C-N 3.34Å; E433-Q436 PolarHBondContact O-N 2.82Å; E433-E437 WeakPolarHBondContact O-CB 3.37Å; E433-E437 PolarHBondContact O-N 2.96Å
434Q46.9Very low53.2Low68 Ų6898.8 Ų98.832%0.31847%0.473SS..Hα-helixtrans-60.8-42.7171.7-84.4-171.8-22.900111.8F430 K431 E437 K438F430-Q434 HydrophobicContact CE1-CG 4.29Å; F430-Q434 PolarHBondContact O-N 3.05Å; K431-Q434 WeakPolarHBondContact O-CB 3.3Å; K431-Q434 PolarHBondContact O-N 3.11Å; Q434-E437 PolarHBondContact O-N 3.32Å; Q434-K438 WeakPolarHBondContact O-CB 3.42Å; Q434-K438 VanDerWaalsContact O-CG 3.32Å; Q434-K438 WeakPolarHBondContact O-CG 3.49Å; Q434-K438 PolarHBondContact O-N 3.12Å
435E46.6Very low52.7Low73 Ų7396.4 Ų96.434%0.34147%0.469SS..Hα-helixtrans-73.9-33-178.2-153.757-130.500112.4K431 L432 E433 K438 N439K431-E435 WeakPolarHBondContact O-CB 3.35Å; K431-E435 PolarHBondContact O-N 3.35Å; L432-E435 PolarHBondContact O-N 3.17Å; E433-E435 VanDerWaalsContact C-N 3.34Å; E435-K438 IonicContact OE2-NZ 3.58Å; E435-N439 WeakPolarHBondContact O-CB 3.43Å; E435-N439 PolarHBondContact O-N 2.88Å; E435-N439 PolarHBondContact O-ND2 3.07Å
436Q50.2Low52Low117 Ų11798.7 Ų98.755%0.54748%0.483SS..Hα-helixtrans-67.2-40.6171.5-76.7176.3-8.300111.4L432 E433 N439 K440L432-Q436 HydrophobicContact CG-CG 4.49Å; L432-Q436 WeakPolarHBondContact O-CB 3.49Å; L432-Q436 VanDerWaalsContact O-CG 3.24Å; L432-Q436 WeakPolarHBondContact O-CG 3.44Å; L432-Q436 PolarHBondContact O-N 3.01Å; E433-Q436 PolarHBondContact O-N 2.82Å; Q436-N439 PolarHBondContact O-N 3.32Å; Q436-K440 WeakPolarHBondContact O-CB 3.41Å; Q436-K440 PolarHBondContact O-N 2.87Å
437E53.2Low51.7Low97 Ų9796.4 Ų96.445%0.45348%0.481SS..Hα-helixtrans-70.4-38.2175.4-162.664.4-155.100111.1E433 Q434 K440 I441E433-E437 WeakPolarHBondContact O-CB 3.37Å; E433-E437 PolarHBondContact O-N 2.96Å; Q434-E437 PolarHBondContact O-N 3.32Å; E437-K440 PolarHBondContact O-N 3.38Å; E437-K440 IonicContact OE1-NZ 3.38Å; E437-I441 HydrophobicContact CG-CD1 4.31Å; E437-I441 WeakPolarHBondContact O-CD1 3.47Å; E437-I441 WeakPolarHBondContact O-CG1 3.49Å; E437-I441 PolarHBondContact O-N 3.31Å
438K54.4Low51.5Low71 Ų7196 Ų9631%0.30948%0.478SS..Hα-helixtrans-58.6-49.6169.9-79.7-177.5-178.3-174.80111.8D342 Q434 E435 K440 I441 L442D342-K438 IonicContact OD1-NZ 2.67Å; D342-K438 PolarHBondContact OD1-NZ 3.5Å; Q434-K438 WeakPolarHBondContact O-CB 3.42Å; Q434-K438 VanDerWaalsContact O-CG 3.32Å; Q434-K438 WeakPolarHBondContact O-CG 3.49Å; Q434-K438 PolarHBondContact O-N 3.12Å; E435-K438 IonicContact OE2-NZ 3.58Å; K438-K440 VanDerWaalsContact C-N 3.29Å; K438-K440 PolarHBondContact O-N 3.3Å; K438-I441 PolarHBondContact O-N 3.38Å; K438-L442 WeakPolarHBondContact O-CB 3.42Å; K438-L442 PolarHBondContact O-N 3.41Å
439N49Very low51.4Low90 Ų9096.6 Ų96.648%0.48149%0.485SS..Hα-helixtrans-62.5-37.3178.2-94.4-56000112.1E435 Q436 L442 S443E435-N439 WeakPolarHBondContact O-CB 3.43Å; E435-N439 PolarHBondContact O-N 2.88Å; E435-N439 PolarHBondContact O-ND2 3.07Å; Q436-N439 PolarHBondContact O-N 3.32Å; N439-L442 PolarHBondContact O-N 3.41Å; N439-S443 VanDerWaalsContact O-CB 3.24Å; N439-S443 WeakPolarHBondContact O-CB 3.43Å; N439-S443 PolarHBondContact O-N 3.47Å
440K57.9Low50.9Low105 Ų10595.5 Ų95.546%0.45749%0.488SS..Hα-helixtrans-64-45.5174.5-175-177.3168-156.90111.6Q436 E437 K438 L442 S443 E444Q436-K440 WeakPolarHBondContact O-CB 3.41Å; Q436-K440 PolarHBondContact O-N 2.87Å; E437-K440 PolarHBondContact O-N 3.38Å; E437-K440 IonicContact OE1-NZ 3.38Å; K438-K440 VanDerWaalsContact C-N 3.29Å; K438-K440 PolarHBondContact O-N 3.3Å; K440-L442 VanDerWaalsContact C-N 3.33Å; K440-L442 PolarHBondContact O-N 2.98Å; K440-S443 PolarHBondContact O-N 2.9Å; K440-E444 WeakPolarHBondContact O-CG 3.46Å; K440-E444 PolarHBondContact O-N 3.13Å
441I53.7Low50.8Low80 Ų8093.9 Ų93.941%0.4149%0.488SS..Hα-helixtrans-61.9-42.2175.3-67.8164.3000110.8E437 K438 A445E437-I441 HydrophobicContact CG-CD1 4.31Å; E437-I441 WeakPolarHBondContact O-CD1 3.47Å; E437-I441 WeakPolarHBondContact O-CG1 3.49Å; E437-I441 PolarHBondContact O-N 3.31Å; K438-I441 PolarHBondContact O-N 3.38Å; I441-A445 WeakPolarHBondContact O-CB 3.3Å; I441-A445 PolarHBondContact O-N 3.01Å
442L44.8Very low51.1Low104 Ų10492.7 Ų92.755%0.54549%0.485SS..Hα-helixtrans-67.3-40.9179.1-167.770.7000111.6K438 N439 K440 A445 L446K438-L442 WeakPolarHBondContact O-CB 3.42Å; K438-L442 PolarHBondContact O-N 3.41Å; N439-L442 PolarHBondContact O-N 3.41Å; K440-L442 VanDerWaalsContact C-N 3.33Å; K440-L442 PolarHBondContact O-N 2.98Å; L442-A445 PolarHBondContact O-N 3.39Å; L442-L446 WeakPolarHBondContact O-CB 3.34Å; L442-L446 PolarHBondContact O-N 3.37Å
443S49.4Very low51.1Low82 Ų8293.7 Ų93.757%0.57349%0.486SS*.Hα-helixtrans-66.9-41.3178.5-148.80000111.6N439 K440 A445 L446 E447N439-S443 VanDerWaalsContact O-CB 3.24Å; N439-S443 WeakPolarHBondContact O-CB 3.43Å; N439-S443 PolarHBondContact O-N 3.47Å; K440-S443 PolarHBondContact O-N 2.9Å; S443-A445 VanDerWaalsContact C-N 3.35Å; S443-A445 PolarHBondContact O-N 3.25Å; S443-L446 PolarHBondContact O-N 3.32Å; S443-E447 WeakPolarHBondContact O-CB 3.07Å; S443-E447 PolarHBondContact O-N 3.29Å
444E53.9Low51Low95 Ų9592.6 Ų92.644%0.44448%0.481SS..Hα-helixtrans-64.6-37.2172.7-72.4-179.6-164.300112K440 T448K440-E444 WeakPolarHBondContact O-CG 3.46Å; K440-E444 PolarHBondContact O-N 3.13Å; E444-T448 PolarHBondContact O-N 3.02Å; E444-T448 VanDerWaalsContact O-N 3.13Å; E444-T448 PolarHBondContact O-OG1 3.06Å
445A47.8Very low51.3Low45 Ų4596.1 Ų96.137%0.37250%0.498SS..Hα-helixtrans-67.5-39.1173.700000112.2I441 L442 S443 T448 L449I441-A445 WeakPolarHBondContact O-CB 3.3Å; I441-A445 PolarHBondContact O-N 3.01Å; L442-A445 PolarHBondContact O-N 3.39Å; S443-A445 VanDerWaalsContact C-N 3.35Å; S443-A445 PolarHBondContact O-N 3.25Å; A445-T448 PolarHBondContact O-N 2.75Å; A445-L449 PolarHBondContact O-N 3.1Å
446L46Very low51.5Low114 Ų11497.5 Ų97.560%0.59751%0.507SS*.Hα-helixtrans-66.2-39.5176.2-133101.9000111.6L442 S443 T448 L449 A450L442-L446 WeakPolarHBondContact O-CB 3.34Å; L442-L446 PolarHBondContact O-N 3.37Å; S443-L446 PolarHBondContact O-N 3.32Å; L446-T448 VanDerWaalsContact C-N 3.3Å; L446-T448 PolarHBondContact O-N 3.06Å; L446-L449 PolarHBondContact O-N 3.47Å; L446-A450 VanDerWaalsContact O-CB 3.3Å; L446-A450 WeakPolarHBondContact O-CB 3.49Å; L446-A450 PolarHBondContact O-N 3.25Å
447E53.1Low51.4Low144 Ų14496.8 Ų96.867%0.67350%0.503SS*.Hα-helixtrans-66.2-34.9177.1-157.9173.9-158.600111.4S443 T451S443-E447 WeakPolarHBondContact O-CB 3.07Å; S443-E447 PolarHBondContact O-N 3.29Å; E447-T451 PolarHBondContact O-N 2.93Å; E447-T451 PolarHBondContact O-OG1 2.89Å
448T54Low51.2Low75 Ų7598.3 Ų98.346%0.4651%0.51SS..Hα-helixtrans-68.7-43.7173.2-49.10000111.5E444 A445 L446 T451 E452E444-T448 PolarHBondContact O-N 3.02Å; E444-T448 VanDerWaalsContact O-N 3.13Å; E444-T448 PolarHBondContact O-OG1 3.06Å; A445-T448 PolarHBondContact O-N 2.75Å; L446-T448 VanDerWaalsContact C-N 3.3Å; L446-T448 PolarHBondContact O-N 3.06Å; T448-T451 WeakPolarHBondContact CA-OG1 2.9Å; T448-T451 PolarHBondContact O-N 3.49Å; T448-T451 PolarHBondContact O-OG1 3.35Å; T448-E452 WeakPolarHBondContact O-CG 3.35Å; T448-E452 PolarHBondContact O-N 2.65Å
449L49.2Very low50.9Low113 Ų11398.3 Ų98.359%0.59252%0.519SS*.Hα-helixtrans-64.5-38.4174.3-101.9145.6000112.4A445 L446 E452 H453A445-L449 PolarHBondContact O-N 3.1Å; L446-L449 PolarHBondContact O-N 3.47Å; L449-E452 PolarHBondContact O-N 3.36Å; L449-H453 VanDerWaalsContact O-CB 3.25Å; L449-H453 WeakPolarHBondContact O-CB 3.49Å; L449-H453 PolarHBondContact O-N 2.97Å
450A46.8Very low50.7Low60 Ų60100 Ų10050%0.49653%0.528SS..Hα-helixtrans-67.6-36.3176.900000111.9L446 H454L446-A450 VanDerWaalsContact O-CB 3.3Å; L446-A450 WeakPolarHBondContact O-CB 3.49Å; L446-A450 PolarHBondContact O-N 3.25Å; A450-H454 VanDerWaalsContact O-CB 3.29Å; A450-H454 WeakPolarHBondContact O-CB 3.42Å; A450-H454 PolarHBondContact O-N 2.85Å
451T52.1Low50.2Low84 Ų84101.3 Ų101.352%0.51554%0.544SS..Hα-helixtrans-69-41.6173.626.20000111.9E447 T448 H454 E455E447-T451 PolarHBondContact O-N 2.93Å; E447-T451 PolarHBondContact O-OG1 2.89Å; T448-T451 WeakPolarHBondContact CA-OG1 2.9Å; T448-T451 PolarHBondContact O-N 3.49Å; T448-T451 PolarHBondContact O-OG1 3.35Å; T451-H454 PolarHBondContact O-N 3.03Å; T451-E455 WeakPolarHBondContact O-CG 3.04Å; T451-E455 PolarHBondContact O-N 2.78Å
452E56.7Low49.6Very low111 Ų111106.6 Ų106.652%0.51956%0.564SS.*Hα-helixtrans-67-39.1175-71.8-176.5174.800112.6T448 L449 E455 L456T448-E452 WeakPolarHBondContact O-CG 3.35Å; T448-E452 PolarHBondContact O-N 2.65Å; L449-E452 PolarHBondContact O-N 3.36Å; E452-E455 PolarHBondContact O-N 3.03Å; E452-L456 WeakPolarHBondContact O-CB 3.2Å; E452-L456 PolarHBondContact O-N 3.29Å
453H50.5Low49.1Very low111 Ų111104.7 Ų104.751%0.51457%0.57SS.*Hα-helixtrans-65.8-39.5174.7-169.4-85.7000111.5L449 E455 L456 E457L449-H453 VanDerWaalsContact O-CB 3.25Å; L449-H453 WeakPolarHBondContact O-CB 3.49Å; L449-H453 PolarHBondContact O-N 2.97Å; H453-E455 VanDerWaalsContact C-N 3.34Å; H453-L456 PolarHBondContact O-N 3.45Å; H453-E457 IonicContact CE1-OE1 3.74Å; H453-E457 PolarHBondContact CE1-OE1 3.06Å; H453-E457 VanDerWaalsContact CE1-OE1 3.28Å; H453-E457 IonicContact ND1-OE1 2.65Å; H453-E457 PolarHBondContact O-N 3.22Å
454H54.3Low48.1Very low106 Ų106106.7 Ų106.749%0.49158%0.584SS.*Hα-helixtrans-64.8-37.1174.6-169.368.3000112.2A450 T451 Q458A450-H454 VanDerWaalsContact O-CB 3.29Å; A450-H454 WeakPolarHBondContact O-CB 3.42Å; A450-H454 PolarHBondContact O-N 2.85Å; T451-H454 PolarHBondContact O-N 3.03Å; H454-Q458 PolarHBondContact NE2-NE2 2.95Å; H454-Q458 WeakPolarHBondContact O-CG 3.29Å; H454-Q458 PolarHBondContact O-N 3.46Å
455E53.1Low47.3Very low142 Ų142108 Ų10866%0.66460%0.601SS**Hα-helixtrans-66.9-36.8172.1-73.9-175.9171.600112.4T451 E452 H453 S459T451-E455 WeakPolarHBondContact O-CG 3.04Å; T451-E455 PolarHBondContact O-N 2.78Å; E452-E455 PolarHBondContact O-N 3.03Å; H453-E455 VanDerWaalsContact C-N 3.34Å; E455-S459 PolarHBondContact O-N 3Å
456L50.6Low47.9Very low101 Ų101111.3 Ų111.353%0.52962%0.618SS.*Hα-helixtrans-70.7-41.4175.4-95.9151000112.9E452 H453 Q458 S459 L460E452-L456 WeakPolarHBondContact O-CB 3.2Å; E452-L456 PolarHBondContact O-N 3.29Å; H453-L456 PolarHBondContact O-N 3.45Å; L456-Q458 VanDerWaalsContact C-N 3.35Å; L456-Q458 PolarHBondContact O-N 3.22Å; L456-S459 WeakPolarHBondContact O-CA 3.01Å; L456-S459 WeakPolarHBondContact O-CB 3.48Å; L456-S459 PolarHBondContact O-N 3.4Å; L456-S459 PolarHBondContact O-OG 2.97Å; L456-L460 PolarHBondContact O-N 3.04Å; L456-L460 VanDerWaalsContact O-N 3.08Å
457E49.6Very low46.9Very low103 Ų103112.1 Ų112.148%0.48163%0.628SS.*Hα-helixtrans-63-40175.3-81.6-172154.100111.9H453 S459 L460 V461H453-E457 IonicContact CE1-OE1 3.74Å; H453-E457 PolarHBondContact CE1-OE1 3.06Å; H453-E457 VanDerWaalsContact CE1-OE1 3.28Å; H453-E457 IonicContact ND1-OE1 2.65Å; H453-E457 PolarHBondContact O-N 3.22Å; E457-S459 PolarHBondContact O-N 3.23Å; E457-L460 PolarHBondContact O-N 3.4Å; E457-L460 VanDerWaalsContact O-N 3.17Å; E457-V461 PolarHBondContact O-N 3.41Å
458Q47.4Very low45.7Very low128 Ų128110.1 Ų110.160%0.59863%0.63SS**Hα-helixtrans-61.9-22.7172.2-73.1-174.818.100112.7H454 L456H454-Q458 PolarHBondContact NE2-NE2 2.95Å; H454-Q458 WeakPolarHBondContact O-CG 3.29Å; H454-Q458 PolarHBondContact O-N 3.46Å; L456-Q458 VanDerWaalsContact C-N 3.35Å; L456-Q458 PolarHBondContact O-N 3.22Å
459S49.3Very low44.5Very low71 Ų71114 Ų11450%0.49765%0.646SS.*Hα-helixtrans-84.2-29.6175.786.30000113.7E455 L456 E457E455-S459 PolarHBondContact O-N 3Å; L456-S459 WeakPolarHBondContact O-CA 3.01Å; L456-S459 WeakPolarHBondContact O-CB 3.48Å; L456-S459 PolarHBondContact O-N 3.4Å; L456-S459 PolarHBondContact O-OG 2.97Å; E457-S459 PolarHBondContact O-N 3.23Å
460L45.3Very low43.5Very low125 Ų125116.5 Ų116.565%0.65466%0.659SS**Hα-helixtrans-80.5-23-175.6-93.4144.3000114.5L456 E457 K462L456-L460 PolarHBondContact O-N 3.04Å; L456-L460 VanDerWaalsContact O-N 3.08Å; E457-L460 PolarHBondContact O-N 3.4Å; E457-L460 VanDerWaalsContact O-N 3.17Å; L460-K462 PolarHBondContact O-N 3.37Å
461V46.3Very low42.5Very low133 Ų133119.3 Ų119.381%0.80668%0.676SS**THydrogen-bonded Turntrans-65.9-3.9176.8177.10000113.1E457E457-V461 PolarHBondContact O-N 3.41Å
462K41.5Very low41.3Very low192 Ų192123.4 Ų123.484%0.83569%0.689SS**THydrogen-bonded Turntrans-100.96.8-176.3-75.8-175.3178.6174.30116.9L460L460-K462 PolarHBondContact O-N 3.37Å
463G33.5Very low40Very low64 Ų64124.7 Ų124.766%0.6670%0.699SS**  trans-150.1110.1179.500000116
464S29.8Very low39.1Very low124 Ų124127 Ų12787%0.86771%0.71SS**  trans-83.4158.7179.1-40.70000114.3
465P37.3Very low37.7Very low122 Ų122130.9 Ų130.979%0.79273%0.726SS**  trans-117.7-154.9-177.937.1-17000113.2
466P58.9Low36.5Very low114 Ų114133.6 Ų133.674%0.7473%0.732SS**  -131-169.7-79.841.4-23.3000113.7
467T26Very low35.4Very low132 Ų132135.9 Ų135.981%0.8174%0.744SS**  trans-157.9115160.218.40000111.4
468S28.4Very low34.3Very low101 Ų101135.8 Ų135.871%0.70676%0.761SS**  72139.9103.871.10000114.7
469I27.7Very low33.5Very low157 Ų157138.1 Ų138.181%0.80578%0.777SS**  -167.6155.260.5-73175.1000111
470L28.7Very low32.7Very low165 Ų165139.7 Ų139.786%0.86479%0.788SS**  trans-67.7165.6-180-56.8152.2000116.9
471S24.8Very low32Very low120 Ų120140.6 Ų140.684%0.83979%0.793SS**  179.1148.9108.373.50000114.4
472E28.1Very low31.2Very low170 Ų170139.1 Ų139.179%0.79479%0.789SS**  trans-92-179.8-175-66170.1129.900114.8
473D29.1Very low30.6Very low138 Ų138138.6 Ų138.674%0.73879%0.789SS**  trans85.2137.1158-56.8-24.2000118.4
474E32.3Very low30.4Very low160 Ų160141.2 Ų141.275%0.74880%0.798SS**  cis-175168.26-128.2-177177.100110.4
475F24.6Very low30.2Very low187 Ų187143.7 Ų143.782%0.8280%0.795SS**  trans120.4133.8142.7-113.3-92.1000123.5
476Y27.3Very low29.6Very low199 Ų199148.8 Ų148.878%0.7880%0.799SS**  trans-99.1157.2-168.5-110.8-102.5000114.3
477D27.7Very low27.9Very low148 Ų148148.6 Ų148.679%0.79180%0.8SS**  trans49.7135.8147.8-83.8-11000125.8
478A26.2Very low27.8Very low101 Ų101149.9 Ų149.984%0.83580%0.801SS**  -172.8133.7125.400000114.4
479L31.6Very low27.5Very low178 Ų178149.8 Ų149.893%0.93280%0.8SS**  trans-104.8153.4158.2-80168.3000109.7
480S32.3Very low27.3Very low104 Ų104153 Ų15373%0.72780%0.802SS**  trans123.1125.2143-157.10000119.2
481D29.7Very low27.1Very low143 Ų143152 Ų15277%0.76580%0.798SS**  trans58.2124.1137.7-72-5.6000126.6
482S29.9Very low27Very low102 Ų102154.8 Ų154.871%0.71380%0.797SS**  67.4130.5120.3-55.60000125.5
483E28.5Very low26.8Very low182 Ų182151 Ų15185%0.8580%0.795SS**  trans77.8126.6142.5-72.5-166.4-172.200125.3
484S28.8Very low26.6Very low119 Ų119150.9 Ų150.983%0.83280%0.799SS**  trans112.1148.413376.90000121.3
485E26.2Very low26.2Very low175 Ų175149.6 Ų149.682%0.81880%0.802SS**  trans-55.3148.5-162.8-55.8175.4156.100120.1
486R24.8Very low26.2Very low229 Ų229144.7 Ų144.786%0.86480%0.796SS**  169.9125.1109.5-96.8-178.6174.4174.5-0.8114.3
487S24Very low26Very low110 Ų110143.8 Ų143.877%0.76980%0.799SS**  trans4.5133.1147.4-51.10000121.9
488L23.3Very low25.8Very low160 Ų160141.2 Ų141.284%0.83879%0.792SS**  177.4114.8110.5-94.9164.7000113.4
489S22.3Very low25.7Very low98 Ų98145.2 Ų145.269%0.68579%0.791SS**  trans41.2125.4133.967.30000122.6
490R23.3Very low25.3Very low224 Ų224146.3 Ų146.385%0.84579%0.792SS**  138.9143.9101.3-148.2179.1-164.5177.44.8114.5
491L25.1Very low24.9Very low146 Ų146149 Ų14976%0.76479%0.793SS**  trans9496.3167.1-65.1152.6000115
492E21.7Very low24.8Very low178 Ų178151.6 Ų151.683%0.83280%0.8SS**  59.5109.868.5-71.5-175.7158.700115.7
493A24.6Very low24.5Very low91 Ų91150.5 Ų150.575%0.75281%0.805SS**  168.3119.8111.700000111.8
494V23.5Very low24.4Very low135 Ų135150.4 Ų150.482%0.81880%0.804SS**  59114.8109.4-167.10000113.8
495T25.4Very low24.1Very low132 Ų132154 Ų15481%0.8181%0.808SS**  -162.3141.682.136.40000113.6
496A23.1Very low24.1Very low85 Ų85153.2 Ų153.270%0.70281%0.808SS**  trans-89.2158.3163.800000111.6
497H24.8Very low24Very low180 Ų180146 Ų14683%0.83381%0.805SS**  trans-170.2104.8147.7-88.9-56.7000108.1
498S23.7Very low23.9Very low93 Ų93146.6 Ų146.665%0.6581%0.81SS**  67.4104.399.661.70000114.2
499F23Very low23.9Very low186 Ų186150 Ų15082%0.81681%0.811SS**  63.5114.492.8-95-80.6000114.5
500E23.4Very low24Very low201 Ų201156.9 Ų156.994%0.93982%0.822SS**  trans-147128.3131.3-76.4-158.5158.400109.5
501E24.8Very low24Very low161 Ų161154.4 Ų154.475%0.75282%0.82SS**  trans-94.5151.4165.9-85.7177.614400109.5
502E26.1Very low23.9Very low196 Ų196158.1 Ų158.192%0.91682%0.824SS**  147.7140.2122.3-82.2-161.8163.700112.5
503G24.2Very low24Very low79 Ų79157 Ų15781%0.81482%0.82SS**  trans153.268161.600000115.5
504E25.4Very low24Very low180 Ų180157.3 Ų157.384%0.84182%0.817SS**  trans-65.9144.4164.3-69.6-173.6146.600111.9
505H24.4Very low24.1Very low195 Ų195158.5 Ų158.590%0.90381%0.814SS**  trans-147.9127.6150.3-108.2-62.1000112.2
506L24.4Very low24Very low158 Ų158161.7 Ų161.783%0.82782%0.82SS**  trans-59.9137.3175.7-88.683.7000114.2
507G22.6Very low24.2Very low77 Ų77166.2 Ų166.279%0.79482%0.823SS**  73.8112.7118.700000119.9
508S23.3Very low24.2Very low124 Ų124163.9 Ų163.987%0.86782%0.817SS**  trans-154.1129.1134.4-163.40000112.6
509R23.5Very low24.1Very low231 Ų231166 Ų16687%0.87283%0.83SS**  trans-95.7128.5-179.9-175.4-175.8-172.1-173.83.5107.5
510R23.4Very low24.2Very low243 Ų243160.5 Ų160.592%0.91783%0.826SS**  trans-147.2112.7158.4-109.5179.8-175-1750.9113.8
511H23.1Very low24.3Very low172 Ų172155 Ų15580%0.79682%0.823SS**  trans3119.1150.9-85.2-75.1000121.9
512R24.3Very low24.3Very low224 Ų224150.6 Ų150.685%0.84582%0.821SS**  7139.2115.8-152.9-173.5-74.3-160.9-1.9119.1
513M23.1Very low24.8Very low153 Ų153149.4 Ų149.475%0.75482%0.821SS**  trans159.8135.1135.1-81-69-79.800106.4
514S25Very low25Very low99 Ų99149.2 Ų149.269%0.69281%0.812SS**  cis-161.2128.935.740.50000108.2
515E24.3Very low25.6Very low159 Ų159149.1 Ų149.174%0.74382%0.816SS**  45.1102.387.6-78.6-170.2-176.900115.8
516E24.1Very low25.9Very low200 Ų200142.7 Ų142.794%0.93579%0.793SS**  trans-127.9125.4136.7-86.2-171.1163.900109.1
517K26.8Very low26.2Very low180 Ų180142.6 Ų142.678%0.78379%0.793SS**  trans-76129.2177.6-91.4175.3173.3174.60109.8
518D24.7Very low27.1Very low131 Ų131143 Ų14370%0.70180%0.798SS**  87.3121.786.5-162.315.7000113G520D518-G520 PolarHBondContact OD1-N 2.89Å
519C23Very low28.4Very low136 Ų136143.4 Ų143.492%0.91979%0.789SS**  trans-152.887.3150.5-83.70000106.8
520G25.4Very low30.3Very low71 Ų71138 Ų13873%0.73277%0.771SS**  trans-70.1173.2178.100000116.4D518D518-G520 PolarHBondContact OD1-N 2.89Å
521G24.3Very low32.7Very low85 Ų85133.7 Ų133.788%0.87676%0.76SS**  trans169.7115.7164.100000106.3
522G24.7Very low35.7Very low69 Ų69128.5 Ų128.571%0.71174%0.736SS**  cis154.9124.713.100000103.8A524G522-A524 PolarHBondContact O-N 3.46Å
523D36.7Very low38.9Very low172 Ų172119.9 Ų119.992%0.9270%0.703SS**  trans-50.7129.9178.9-76.5-43.1000111.4
524A28.3Very low42.1Very low75 Ų75117.7 Ų117.762%0.6270%0.699SS**  trans-127.479.5167.600000109.4G522 S526G522-A524 PolarHBondContact O-N 3.46Å; A524-S526 PolarHBondContact O-N 3.46Å
525L37.7Very low45.3Very low177 Ų177115.6 Ų115.693%0.92768%0.684SS**  trans-61.1113.7155.2-86.4155.6000108.5
526S30.9Very low48.5Very low60 Ų60108.3 Ų108.342%0.4265%0.65SS.*  trans-142.6115.5165.566.40000110.7A524A524-S526 PolarHBondContact O-N 3.46Å
527N30.5Very low51.6Low156 Ų156102.9 Ų102.983%0.83463%0.632SS**THydrogen-bonded Turntrans69.919.9163.2-65.3-2.7000120.4I529N527-I529 PolarHBondContact O-N 3.36Å
528G42.4Very low54.7Low87 Ų8795.7 Ų95.790%0.89760%0.604SS**THydrogen-bonded Turntrans684.2173.800000114.9
529I50Low57.7Low131 Ų13193 Ų9367%0.67259%0.594SS**  trans-89.8108.9170.1-58.6173.3000106.8N527 K531N527-I529 PolarHBondContact O-N 3.36Å; I529-K531 PolarHBondContact O-N 3.08Å; I529-K531 VanDerWaalsContact O-N 3.15Å
530K63.1Low60.7Low117 Ų11788.6 Ų88.651%0.50956%0.561SS.*  trans-60.9115.8173.4-165.8170.3-178.1174.10107.9H532 D859K530-H532 PolarHBondContact O-N 3.21Å; K530-D859 WeakPolarHBondContact CE-OD2 3.42Å; K530-D859 IonicContact NZ-OD1 3.83Å; K530-D859 IonicContact NZ-OD2 2.91Å; K530-D859 PolarHBondContact NZ-OD2 2.86Å
531K73.8Confident63.2Low154 Ų15487.3 Ų87.367%0.6754%0.535SS*.PPolyproline II helixtrans-76.2117.3176.8-77.5-177.6179.9171.20108.7I529I529-K531 PolarHBondContact O-N 3.08Å; I529-K531 VanDerWaalsContact O-N 3.15Å
532H87.1Confident65.2Low63 Ų6386.1 Ų86.129%0.29251%0.513SS..PPolyproline II helixtrans-80.1151.5173.7-61.2-65.5000111.7K530 V854 E857K530-H532 PolarHBondContact O-N 3.21Å; H532-V854 HydrophobicContact CB-CB 4.49Å; H532-V854 HydrophobicContact CB-CG1 3.99Å; H532-V854 HydrophobicContact CB-CG2 3.63Å; H532-E857 IonicContact ND1-OE2 3.81Å
533R90.8Very high66.9Low42 Ų4285.5 Ų85.516%0.15849%0.489CS..PPolyproline II helixtrans-60.1144.9173.369-177.3-173.71756.6112.4M853 E857 E881R533-M853 PolarHBondContact NE-O 3.37Å; R533-M853 PolarHBondContact NH2-O 3Å; R533-E857 VanDerWaalsContact CB-OE1 3.29Å; R533-E857 WeakPolarHBondContact CB-OE1 3Å; R533-E857 HydrophobicContact CG-CB 4.16Å; R533-E857 HydrophobicContact CG-CG 4.18Å; R533-E857 PolarHBondContact N-OE1 2.67Å; R533-E857 PolarHBondContact N-OE2 3.05Å; R533-E881 IonicContact CZ-OE1 3.02Å; R533-E881 VanDerWaalsContact CZ-OE1 3.31Å; R533-E881 IonicContact CZ-OE2 3Å; R533-E881 IonicContact NH1-OE1 3.2Å; R533-E881 PolarHBondContact NH1-OE1 3.03Å; R533-E881 IonicContact NH1-OE2 3.52Å; R533-E881 PolarHBondContact NH1-OE2 3.1Å; R533-E881 IonicContact NH2-OE1 2.72Å; R533-E881 PolarHBondContact NH2-OE1 3.31Å; R533-E881 IonicContact NH2-OE2 3.73Å
534T89.9Confident67.7Low108 Ų10884.6 Ų84.666%0.66348%0.484SS*.SBendtrans-1143.5179.856.60000113.1N841T534-N841 PolarHBondContact O-ND2 3.07Å
535S92.4Very high68.4Low54 Ų5486.9 Ų86.938%0.37849%0.486SS..SBendtrans-153.3154.117760.30000110.2N841S535-N841 WeakPolarHBondContact CB-ND2 3.17Å
536L92.5Very high69Low6 Ų683.3 Ų83.33%0.03146%0.463CS..  trans-77.5159.9167.8-52.7177.5000110.3S538 P572 M845 Y846 F848 E881L536-S538 VanDerWaalsContact C-N 3.29Å; L536-S538 PolarHBondContact O-N 3.24Å; L536-P572 HydrophobicContact CD1-CG 3.95Å; L536-M845 HydrophobicContact CB-SD 3.63Å; L536-M845 HydrophobicContact CD1-CB 4.35Å; L536-M845 HydrophobicContact CD1-SD 4.2Å; L536-M845 HydrophobicContact CG-CB 4.45Å; L536-M845 HydrophobicContact CG-SD 3.99Å; L536-Y846 HydrophobicContact CD1-CD2 3.93Å; L536-Y846 HydrophobicContact CD1-CE2 4.3Å; L536-F848 HydrophobicContact CD1-CD2 4.09Å; L536-F848 HydrophobicContact CD1-CE2 3.98Å; L536-F848 HydrophobicContact CD2-CD2 4.43Å; L536-F848 HydrophobicContact CD2-CE2 4.49Å; L536-E881 HydrophobicContact CB-CG 4.43Å; L536-E881 HydrophobicContact CD2-CG 4.16Å
537P89.8Confident69.8Low87 Ų8783.4 Ų83.457%0.56546%0.464SS*.SBendtrans-61.3-33.4178.2-23.135.4000113.9
538S91Very high70.7Confident28 Ų2877.5 Ų77.520%0.19643%0.432CS..SBendtrans-129.2144.4177.1178.70000111.2L536 N882L536-S538 VanDerWaalsContact C-N 3.29Å; L536-S538 PolarHBondContact O-N 3.24Å; S538-N882 VanDerWaalsContact CB-C 3.49Å; S538-N882 WeakPolarHBondContact CB-O 3.31Å
539P88.4Confident70.9Confident75 Ų7579 Ų7949%0.48741%0.411SS..PPolyproline II helixtrans-64.6160.3167.430.4-36.1000111.3Q844 M845P539-Q844 CarbonylContact C-O 3.57Å; P539-Q844 WeakPolarHBondContact CA-O 3.29Å; P539-Q844 HydrophobicContact CB-CB 4.31Å; P539-M845 HydrophobicContact CB-CE 4.49Å
540M84.6Confident70.8Confident44 Ų4474.5 Ų74.522%0.21739%0.391CS..PPolyproline II helixtrans-63.9142.8170.874175.5-64.600110.9R543 Q844 Y846M540-R543 HydrophobicContact CE-CG 4.07Å; M540-Q844 WeakPolarHBondContact CG-O 3.26Å; M540-Q844 PolarHBondContact N-O 3.4Å; M540-Y846 HydrophobicContact CB-CD1 3.84Å; M540-Y846 HydrophobicContact CB-CD2 3.81Å; M540-Y846 HydrophobicContact CB-CE1 3.59Å; M540-Y846 HydrophobicContact CB-CE2 3.54Å; M540-Y846 HydrophobicContact CB-CG 3.93Å; M540-Y846 VanDerWaalsContact CB-CZ 3.42Å; M540-Y846 HydrophobicContact CE-CD1 4.14Å; M540-Y846 HydrophobicContact CE-CE1 4.35Å; M540-Y846 HydrophobicContact SD-CD1 4.48Å
541F78.2Confident70.2Confident43 Ų4369.7 Ų69.719%0.18937%0.371CS..PPolyproline II helixtrans-68154.5172.551.9-90000111.5R543 I568 Y846 M880 I885F541-R543 HydrophobicContact CD2-CG 4.41Å; F541-R543 HydrophobicContact CE2-CG 3.96Å; F541-R543 PolarHBondContact O-N 3.26Å; F541-R543 VanDerWaalsContact O-N 3.15Å; F541-I568 HydrophobicContact CD2-CB 4.43Å; F541-I568 HydrophobicContact CD2-CG2 4.42Å; F541-I568 HydrophobicContact CE2-CB 3.59Å; F541-I568 HydrophobicContact CE2-CG2 3.99Å; F541-I568 WeakPolarHBondContact CE2-O 3.08Å; F541-I568 HydrophobicContact CZ-CB 3.8Å; F541-I568 HydrophobicContact CZ-CG2 4.17Å; F541-I568 WeakPolarHBondContact CZ-O 3.32Å; F541-Y846 HydrophobicContact CE1-CE1 4.22Å; F541-Y846 VanDerWaalsContact CE1-OH 3.27Å; F541-Y846 WeakPolarHBondContact CE1-OH 3.47Å; F541-Y846 HydrophobicContact CZ-CE1 4.41Å; F541-M880 HydrophobicContact CE1-CE 3.78Å; F541-M880 HydrophobicContact CZ-CE 4.12Å; F541-I885 HydrophobicContact CD1-CD1 3.55Å; F541-I885 HydrophobicContact CD1-CG1 3.99Å; F541-I885 HydrophobicContact CE1-CD1 3.67Å; F541-I885 HydrophobicContact CE1-CG1 4.45Å
542S67.2Low68.8Low60 Ų6065.5 Ų65.542%0.4236%0.356SS..  trans-63.4113.31731740000110N544 D545S542-N544 PolarHBondContact O-N 3.1Å; S542-N544 PolarHBondContact OG-N 3.43Å; S542-D545 WeakPolarHBondContact CB-OD2 3.46Å; S542-D545 PolarHBondContact OG-OD2 3.01Å
543R60.8Low66.6Low56 Ų5668.5 Ų68.521%0.21136%0.364CS..G310 helixtrans-72.5-10.9174.3-69.8-176.9175.1171.51.4113M540 F541 D545 F546 N570 T620M540-R543 HydrophobicContact CE-CG 4.07Å; F541-R543 HydrophobicContact CD2-CG 4.41Å; F541-R543 HydrophobicContact CE2-CG 3.96Å; F541-R543 PolarHBondContact O-N 3.26Å; F541-R543 VanDerWaalsContact O-N 3.15Å; R543-D545 PolarHBondContact O-N 3.35Å; R543-F546 PolarHBondContact O-N 2.94Å; R543-N570 PolarHBondContact NH2-O 3.28Å; R543-T620 PolarHBondContact NH1-OG1 2.97Å
544N52.2Low64.2Low153 Ų15375 Ų7582%0.81839%0.394SS*.G310 helixtrans-70.8-17.3-177.3-63.3-23.7000112.9S542 F546S542-N544 PolarHBondContact O-N 3.1Å; S542-N544 PolarHBondContact OG-N 3.43Å; N544-F546 VanDerWaalsContact C-N 3.31Å
545D44.2Very low61.8Low123 Ų12371.1 Ų71.166%0.65837%0.37SS*.G310 helixtrans-85.5-5.5-179.8-55.5-44.7000112.7S542 R543S542-D545 WeakPolarHBondContact CB-OD2 3.46Å; S542-D545 PolarHBondContact OG-OD2 3.01Å; R543-D545 PolarHBondContact O-N 3.35Å
546F50.4Low59.1Low102 Ų10271.1 Ų71.145%0.44737%0.366SS..  trans-133.4117.1-176.4-70.1-87.5000112.4R543 N544 I568R543-F546 PolarHBondContact O-N 2.94Å; N544-F546 VanDerWaalsContact C-N 3.31Å; F546-I568 HydrophobicContact CB-CD1 3.33Å; F546-I568 HydrophobicContact CD1-CD1 3.45Å; F546-I568 VanDerWaalsContact CD1-CD1 3.45Å; F546-I568 HydrophobicContact CD2-CD1 3.85Å; F546-I568 HydrophobicContact CE1-CD1 4.16Å; F546-I568 HydrophobicContact CG-CD1 3.25Å
547S46.7Very low56.3Low62 Ų6273.7 Ų73.743%0.43439%0.393SS..  trans-85.1130.2173.2179.60000110.7W549 S550 I551S547-W549 PolarHBondContact O-N 2.9Å; S547-W549 VanDerWaalsContact O-N 3.16Å; S547-W549 VanDerWaalsContact OG-CB 3.29Å; S547-W549 WeakPolarHBondContact OG-CB 3.31Å; S547-W549 PolarHBondContact OG-N 3.48Å; S547-S550 WeakPolarHBondContact O-CA 3.45Å; S547-S550 WeakPolarHBondContact O-CB 3.37Å; S547-S550 PolarHBondContact O-N 2.95Å; S547-S550 PolarHBondContact O-OG 3.35Å; S547-I551 PolarHBondContact O-N 3.11Å
548I49.3Very low53.8Low32 Ų3274.9 Ų74.916%0.16439%0.393CS..Hα-helixtrans-51.2-36.4169-67.2166000110.3S550 I551 L552 F569 I714 L719I548-S550 VanDerWaalsContact C-N 3.34Å; I548-S550 PolarHBondContact O-N 2.84Å; I548-I551 PolarHBondContact O-N 3.5Å; I548-L552 HydrophobicContact CG2-CD1 3.7Å; I548-L552 HydrophobicContact CG2-CG 3.98Å; I548-L552 WeakPolarHBondContact O-CB 3.46Å; I548-L552 WeakPolarHBondContact O-CG 3.35Å; I548-L552 PolarHBondContact O-N 2.96Å; I548-F569 HydrophobicContact CB-CE1 4.33Å; I548-F569 HydrophobicContact CB-CZ 3.98Å; I548-F569 HydrophobicContact CD1-CD1 4.46Å; I548-F569 HydrophobicContact CD1-CE1 4.02Å; I548-F569 HydrophobicContact CG1-CD1 3.95Å; I548-F569 HydrophobicContact CG1-CE1 3.17Å; I548-F569 HydrophobicContact CG1-CE2 4.11Å; I548-F569 HydrophobicContact CG1-CZ 3.27Å; I548-I714 WeakPolarHBondContact CD1-O 3.5Å; I548-I714 WeakPolarHBondContact CG2-O 3.4Å; I548-L719 HydrophobicContact CD1-CD1 4.15Å; I548-L719 HydrophobicContact CD1-CD2 4.42Å
549W46.6Very low51.1Low118 Ų11879.2 Ų79.245%0.44741%0.41SS..Hα-helixtrans-60.5-37.4173.7-174.9-114.2000113.6S547 I551 R553 I715S547-W549 PolarHBondContact O-N 2.9Å; S547-W549 VanDerWaalsContact O-N 3.16Å; S547-W549 VanDerWaalsContact OG-CB 3.29Å; S547-W549 WeakPolarHBondContact OG-CB 3.31Å; S547-W549 PolarHBondContact OG-N 3.48Å; W549-I551 PolarHBondContact O-N 2.96Å; W549-R553 WeakPolarHBondContact O-CB 3.46Å; W549-R553 PolarHBondContact O-N 3.38Å; W549-I715 HydrophobicContact CE3-CG2 4.1Å; W549-I715 HydrophobicContact CZ3-CG2 4.46Å
550S48.8Very low48.4Very low38 Ų3883.1 Ų83.127%0.26643%0.426SS..Hα-helixtrans-66.5-24.917873.80000113.2S547 I548 K554S547-S550 WeakPolarHBondContact O-CA 3.45Å; S547-S550 WeakPolarHBondContact O-CB 3.37Å; S547-S550 PolarHBondContact O-N 2.95Å; S547-S550 PolarHBondContact O-OG 3.35Å; I548-S550 VanDerWaalsContact C-N 3.34Å; I548-S550 PolarHBondContact O-N 2.84Å; S550-K554 WeakPolarHBondContact O-CG 3.46Å; S550-K554 PolarHBondContact O-N 3.4Å
551I49Very low46.1Very low15 Ų1585.9 Ų85.98%0.07745%0.45CS..Hα-helixtrans-92.9-45.9179.5-76.6160.3000110.5S547 I548 W549 R553 K554 C555 P566 I568 F569S547-I551 PolarHBondContact O-N 3.11Å; I548-I551 PolarHBondContact O-N 3.5Å; W549-I551 PolarHBondContact O-N 2.96Å; I551-R553 PolarHBondContact O-N 3.22Å; I551-K554 WeakPolarHBondContact O-CA 3.49Å; I551-K554 WeakPolarHBondContact O-CB 3.46Å; I551-K554 PolarHBondContact O-N 3.2Å; I551-C555 VanDerWaalsContact O-CB 3.3Å; I551-C555 WeakPolarHBondContact O-CB 3.46Å; I551-C555 PolarHBondContact O-N 3.36Å; I551-C555 VanDerWaalsContact O-N 3.1Å; I551-C555 PolarHBondContact O-SG 3.1Å; I551-P566 HydrophobicContact CB-CG 4.31Å; I551-P566 HydrophobicContact CD1-CB 3.95Å; I551-P566 HydrophobicContact CD1-CG 3.73Å; I551-P566 HydrophobicContact CG1-CG 3.94Å; I551-P566 VanDerWaalsContact CG2-CD 3.46Å; I551-P566 HydrophobicContact CG2-CG 3.45Å; I551-P566 VanDerWaalsContact CG2-CG 3.45Å; I551-I568 HydrophobicContact CD1-CD1 3.61Å; I551-I568 HydrophobicContact CD1-CG1 4.21Å; I551-F569 HydrophobicContact CB-CE2 4.13Å; I551-F569 HydrophobicContact CD1-CD2 4.21Å; I551-F569 HydrophobicContact CD1-CE2 3.28Å; I551-F569 HydrophobicContact CD1-CZ 3.79Å; I551-F569 HydrophobicContact CG1-CE2 4.26Å; I551-F569 HydrophobicContact CG2-CE2 4.17Å
552L44.3Very low44.3Very low67 Ų6790.4 Ų90.435%0.35147%0.469SS..Hα-helixtrans-53-41.3168.8-70.6175.7000110.1I548 K554 C555 I556I548-L552 HydrophobicContact CG2-CD1 3.7Å; I548-L552 HydrophobicContact CG2-CG 3.98Å; I548-L552 WeakPolarHBondContact O-CB 3.46Å; I548-L552 WeakPolarHBondContact O-CG 3.35Å; I548-L552 PolarHBondContact O-N 2.96Å; L552-K554 PolarHBondContact O-N 2.87Å; L552-C555 CarbonylContact O-C 3.52Å; L552-C555 WeakPolarHBondContact O-CA 3.33Å; L552-C555 WeakPolarHBondContact O-CB 3.31Å; L552-C555 PolarHBondContact O-N 3.38Å; L552-I556 WeakPolarHBondContact O-CG1 3.39Å; L552-I556 PolarHBondContact O-N 2.96Å; L552-I556 VanDerWaalsContact O-N 3.14Å
553R41.8Very low43.4Very low126 Ų12689.3 Ų89.348%0.47546%0.458SS..Hα-helixtrans-57.7-42.2171.4-178.8-172.2-76.6166.6-10.8114.1W549 I551 C555W549-R553 WeakPolarHBondContact O-CB 3.46Å; W549-R553 PolarHBondContact O-N 3.38Å; I551-R553 PolarHBondContact O-N 3.22Å; R553-C555 PolarHBondContact O-N 3.34Å
554K41.2Very low43.1Very low178 Ų17889.3 Ų89.377%0.77446%0.464SS*.Hα-helixtrans-70.2-11.8175-75.8177.1179.9-178.90113.1S550 I551 L552S550-K554 WeakPolarHBondContact O-CG 3.46Å; S550-K554 PolarHBondContact O-N 3.4Å; I551-K554 WeakPolarHBondContact O-CA 3.49Å; I551-K554 WeakPolarHBondContact O-CB 3.46Å; I551-K554 PolarHBondContact O-N 3.2Å; L552-K554 PolarHBondContact O-N 2.87Å
555C37.7Very low43.6Very low26 Ų2685 Ų8518%0.17644%0.44CS..THydrogen-bonded Turntrans-110.2-2.6-171.8-69.30000112.7I551 L552 R553 G557 M558 I563I551-C555 VanDerWaalsContact O-CB 3.3Å; I551-C555 WeakPolarHBondContact O-CB 3.46Å; I551-C555 PolarHBondContact O-N 3.36Å; I551-C555 VanDerWaalsContact O-N 3.1Å; I551-C555 PolarHBondContact O-SG 3.1Å; L552-C555 CarbonylContact O-C 3.52Å; L552-C555 WeakPolarHBondContact O-CA 3.33Å; L552-C555 WeakPolarHBondContact O-CB 3.31Å; L552-C555 PolarHBondContact O-N 3.38Å; R553-C555 PolarHBondContact O-N 3.34Å; C555-G557 PolarHBondContact O-N 3.32Å; C555-M558 PolarHBondContact O-N 3.23Å; C555-I563 HydrophobicContact CB-CD1 3.54Å; C555-I563 HydrophobicContact CB-CG2 3.94Å; C555-I563 VanDerWaalsContact O-CD1 3.28Å; C555-I563 WeakPolarHBondContact O-CD1 3.38Å; C555-I563 WeakPolarHBondContact SG-CG2 3.4Å
556I36.8Very low44.7Very low55 Ų5581 Ų8128%0.28242%0.421SS..THydrogen-bonded Turntrans-69.8118.1177.4-65163.6000109.7E102 L552E102-I556 WeakPolarHBondContact OE1-CB 3.47Å; E102-I556 WeakPolarHBondContact OE1-CD1 3.34Å; E102-I556 WeakPolarHBondContact OE1-CG2 3.32Å; L552-I556 WeakPolarHBondContact O-CG1 3.39Å; L552-I556 PolarHBondContact O-N 2.96Å; L552-I556 VanDerWaalsContact O-N 3.14Å
557G34.3Very low46.1Very low59 Ų5976.2 Ų76.261%0.60840%0.4SS*.THydrogen-bonded Turntrans110.8-4.1-18000000115.5C555C555-G557 PolarHBondContact O-N 3.32Å
558M36.5Very low47.6Very low113 Ų11374 Ų7456%0.55738%0.383SS*.SBendtrans-102.2146.3168-64.7175.469.200109.4C555 L560 I563C555-M558 PolarHBondContact O-N 3.23Å; M558-L560 PolarHBondContact O-N 2.96Å; M558-I563 HydrophobicContact CB-CD1 3.58Å; M558-I563 HydrophobicContact CB-CG1 3.65Å; M558-I563 HydrophobicContact CE-CG1 4.26Å; M558-I563 HydrophobicContact SD-CG1 4.31Å
559E33.1Very low49Very low119 Ų11973.6 Ų73.656%0.55638%0.381SS*.  trans-56.2125.8169.3-76.3176.1157.200108.8S561 K562E559-S561 PolarHBondContact O-N 3.48Å; E559-K562 HydrophobicContact CB-CD 4.34Å; E559-K562 HydrophobicContact CB-CG 4.48Å; E559-K562 PolarHBondContact O-N 3.48Å; E559-K562 WeakPolarHBondContact OE2-CE 3.47Å; E559-K562 IonicContact OE2-NZ 3.86Å; E559-K562 PolarHBondContact OE2-NZ 2.95Å
560L32.4Very low50.9Low157 Ų15768 Ų6882%0.82236%0.359SS*.G310 helixtrans-49.2-24.8-178.4-92144.2000113.8M558M558-L560 PolarHBondContact O-N 2.96Å
561S35.9Very low53Low102 Ų10266.2 Ų66.271%0.71335%0.347SS*.G310 helixtrans-78-15.7177.759.80000115E559E559-S561 PolarHBondContact O-N 3.48Å
562K40.6Very low55.3Low137 Ų13765.5 Ų65.560%0.59634%0.343SS*.G310 helixtrans-103.41.9-176.3-71.1177.2176.6153.50113.6E559E559-K562 HydrophobicContact CB-CD 4.34Å; E559-K562 HydrophobicContact CB-CG 4.48Å; E559-K562 PolarHBondContact O-N 3.48Å; E559-K562 WeakPolarHBondContact OE2-CE 3.47Å; E559-K562 IonicContact OE2-NZ 3.86Å; E559-K562 PolarHBondContact OE2-NZ 2.95Å
563I49.2Very low57.8Low37 Ų3762.3 Ų62.319%0.1933%0.326CS..  trans-99.5117.2-173.1-59.1177000109.3C555 M558 M565C555-I563 HydrophobicContact CB-CD1 3.54Å; C555-I563 HydrophobicContact CB-CG2 3.94Å; C555-I563 VanDerWaalsContact O-CD1 3.28Å; C555-I563 WeakPolarHBondContact O-CD1 3.38Å; C555-I563 WeakPolarHBondContact SG-CG2 3.4Å; M558-I563 HydrophobicContact CB-CD1 3.58Å; M558-I563 HydrophobicContact CB-CG1 3.65Å; M558-I563 HydrophobicContact CE-CG1 4.26Å; M558-I563 HydrophobicContact SD-CG1 4.31Å; I563-M565 PolarHBondContact O-N 3.4Å
564T54.5Low60.5Low56 Ų5656.3 Ų56.334%0.34430%0.304SS..  trans-72.9110.7174.162.90000108.4E896T564-E896 VanDerWaalsContact CG2-CD 3.49Å; T564-E896 WeakPolarHBondContact CG2-OE2 3.37Å
565M61.9Low63.1Low63 Ų6349.6 Ų49.631%0.3127%0.274SS..  trans-51.4129.5172.2-80.9-66.4-66.900109.5I563 F569 K892I563-M565 PolarHBondContact O-N 3.4Å; M565-F569 HydrophobicContact CE-CB 3.74Å; M565-F569 HydrophobicContact CE-CD2 3.52Å; M565-F569 HydrophobicContact CE-CE2 4.41Å; M565-F569 HydrophobicContact CE-CG 3.84Å; M565-K892 PolarHBondContact O-NZ 2.84Å
566P68.6Low66Low39 Ų3948.3 Ų48.325%0.25327%0.266SS..  trans-56.5143.4177.4-32.942.6000112I551 I568 F569I551-P566 HydrophobicContact CB-CG 4.31Å; I551-P566 HydrophobicContact CD1-CB 3.95Å; I551-P566 HydrophobicContact CD1-CG 3.73Å; I551-P566 HydrophobicContact CG1-CG 3.94Å; I551-P566 VanDerWaalsContact CG2-CD 3.46Å; I551-P566 HydrophobicContact CG2-CG 3.45Å; I551-P566 VanDerWaalsContact CG2-CG 3.45Å; P566-I568 HydrophobicContact CB-CG1 3.9Å; P566-I568 PolarHBondContact O-N 3.09Å; P566-F569 PolarHBondContact O-N 2.95Å
567V79.9Confident68.9Low2 Ų245.7 Ų45.71%0.01225%0.253CS..G310 helixtrans-55-27.7-176.9175.10000112F569 N570 F624 M880 A888 K892V567-F569 PolarHBondContact O-N 2.96Å; V567-F569 VanDerWaalsContact O-N 3.16Å; V567-N570 WeakPolarHBondContact O-CA 3.24Å; V567-N570 VanDerWaalsContact O-CB 3.25Å; V567-N570 WeakPolarHBondContact O-CB 3.31Å; V567-N570 PolarHBondContact O-N 3.34Å; V567-F624 HydrophobicContact CG1-CZ 4.11Å; V567-M880 HydrophobicContact CG1-CB 4.1Å; V567-M880 HydrophobicContact CG1-CE 4.42Å; V567-M880 HydrophobicContact CG1-CG 3.9Å; V567-M880 HydrophobicContact CG1-SD 3.46Å; V567-M880 WeakPolarHBondContact CG1-SD 3.36Å; V567-M880 WeakPolarHBondContact O-CE 3.49Å; V567-A888 HydrophobicContact CG1-CB 3.84Å; V567-A888 HydrophobicContact CG2-CB 4.46Å; V567-K892 HydrophobicContact CG2-CB 4.23Å; V567-K892 HydrophobicContact CG2-CD 3.6Å
568I77.1Confident71.8Confident15 Ų1543.7 Ų43.78%0.07723%0.227CC..G310 helixtrans-64.8-18.9179.361162000115.4F541 F546 I551 P566 N570 I885F541-I568 HydrophobicContact CD2-CB 4.43Å; F541-I568 HydrophobicContact CD2-CG2 4.42Å; F541-I568 HydrophobicContact CE2-CB 3.59Å; F541-I568 HydrophobicContact CE2-CG2 3.99Å; F541-I568 WeakPolarHBondContact CE2-O 3.08Å; F541-I568 HydrophobicContact CZ-CB 3.8Å; F541-I568 HydrophobicContact CZ-CG2 4.17Å; F541-I568 WeakPolarHBondContact CZ-O 3.32Å; F546-I568 HydrophobicContact CB-CD1 3.33Å; F546-I568 HydrophobicContact CD1-CD1 3.45Å; F546-I568 VanDerWaalsContact CD1-CD1 3.45Å; F546-I568 HydrophobicContact CD2-CD1 3.85Å; F546-I568 HydrophobicContact CE1-CD1 4.16Å; F546-I568 HydrophobicContact CG-CD1 3.25Å; I551-I568 HydrophobicContact CD1-CD1 3.61Å; I551-I568 HydrophobicContact CD1-CG1 4.21Å; P566-I568 HydrophobicContact CB-CG1 3.9Å; P566-I568 PolarHBondContact O-N 3.09Å; I568-N570 VanDerWaalsContact C-N 3.33Å; I568-I885 HydrophobicContact CG2-CG2 3.87Å
569F78.3Confident74.6Confident24 Ų2438.6 Ų38.611%0.10520%0.202CC..G310 helixtrans-90.4-8.2172-66.6-57.3000112.4I548 I551 M565 P566 V567 K622I548-F569 HydrophobicContact CB-CE1 4.33Å; I548-F569 HydrophobicContact CB-CZ 3.98Å; I548-F569 HydrophobicContact CD1-CD1 4.46Å; I548-F569 HydrophobicContact CD1-CE1 4.02Å; I548-F569 HydrophobicContact CG1-CD1 3.95Å; I548-F569 HydrophobicContact CG1-CE1 3.17Å; I548-F569 HydrophobicContact CG1-CE2 4.11Å; I548-F569 HydrophobicContact CG1-CZ 3.27Å; I551-F569 HydrophobicContact CB-CE2 4.13Å; I551-F569 HydrophobicContact CD1-CD2 4.21Å; I551-F569 HydrophobicContact CD1-CE2 3.28Å; I551-F569 HydrophobicContact CD1-CZ 3.79Å; I551-F569 HydrophobicContact CG1-CE2 4.26Å; I551-F569 HydrophobicContact CG2-CE2 4.17Å; M565-F569 HydrophobicContact CE-CB 3.74Å; M565-F569 HydrophobicContact CE-CD2 3.52Å; M565-F569 HydrophobicContact CE-CE2 4.41Å; M565-F569 HydrophobicContact CE-CG 3.84Å; P566-F569 PolarHBondContact O-N 2.95Å; V567-F569 PolarHBondContact O-N 2.96Å; V567-F569 VanDerWaalsContact O-N 3.16Å; F569-K622 PolarHBondContact O-N 2.88Å
570N87.9Confident77.7Confident1 Ų132.9 Ų32.91%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-76165.5175.7-70.4104.4000111.5R543 V567 I568 K622 P623 F624 M880 K892R543-N570 PolarHBondContact NH2-O 3.28Å; V567-N570 WeakPolarHBondContact O-CA 3.24Å; V567-N570 VanDerWaalsContact O-CB 3.25Å; V567-N570 WeakPolarHBondContact O-CB 3.31Å; V567-N570 PolarHBondContact O-N 3.34Å; I568-N570 VanDerWaalsContact C-N 3.33Å; N570-K622 CarbonylContact C-O 3.4Å; N570-K622 WeakPolarHBondContact CA-O 3.3Å; N570-K622 WeakPolarHBondContact CB-O 3.44Å; N570-K622 PolarHBondContact ND2-O 3.28Å; N570-P623 PolarHBondContact ND2-O 3.14Å; N570-F624 HydrophobicContact CB-CD2 3.9Å; N570-F624 HydrophobicContact CB-CE2 3.52Å; N570-F624 HydrophobicContact CB-CZ 3.96Å; N570-M880 HydrophobicContact CB-CE 4.05Å; N570-M880 HydrophobicContact CB-SD 3.8Å; N570-M880 WeakPolarHBondContact O-CE 3.39Å; N570-K892 PolarHBondContact OD1-NZ 2.94Å
571E92.9Very high80.8Confident0 Ų025.5 Ų25.50%014%0.136CC..EExtended strand (participates in β ladder)trans-111.9156154.459.7178-154.200107.8L573 R578 R619 K622 F624 Y846 F848E571-L573 PolarHBondContact O-N 2.81Å; E571-R578 IonicContact OE1-CZ 3.07Å; E571-R578 IonicContact OE1-NE 2.8Å; E571-R578 PolarHBondContact OE1-NE 2.83Å; E571-R578 IonicContact OE1-NH2 3.37Å; E571-R578 PolarHBondContact OE1-NH2 2.73Å; E571-R578 IonicContact OE2-CZ 2.67Å; E571-R578 IonicContact OE2-NH2 3.08Å; E571-R578 PolarHBondContact OE2-NH2 2.73Å; E571-R619 VanDerWaalsContact CD-NH2 3.28Å; E571-R619 IonicContact OE1-CZ 3.28Å; E571-R619 IonicContact OE1-NE 3.99Å; E571-R619 IonicContact OE1-NH2 2.93Å; E571-R619 PolarHBondContact OE1-NH2 3.02Å; E571-R619 IonicContact OE2-CZ 2.66Å; E571-R619 IonicContact OE2-NE 3.58Å; E571-R619 PolarHBondContact OE2-NE 2.94Å; E571-R619 IonicContact OE2-NH2 2.8Å; E571-R619 PolarHBondContact OE2-NH2 3.37Å; E571-K622 PolarHBondContact N-O 3.43Å; E571-F624 VanDerWaalsContact O-CD2 3.24Å; E571-F624 WeakPolarHBondContact O-CD2 3.44Å; E571-F624 VanDerWaalsContact O-CE2 3.28Å; E571-F624 WeakPolarHBondContact O-CE2 3.38Å; E571-Y846 HydrophobicContact CB-CD1 4.12Å; E571-Y846 HydrophobicContact CB-CG 4.37Å; E571-F848 HydrophobicContact CB-CE1 3.97Å; E571-F848 HydrophobicContact CB-CZ 4.03Å; E571-F848 HydrophobicContact CG-CE1 4.36Å; E571-F848 HydrophobicContact CG-CZ 4.43Å
572P96.3Very high83.8Confident0 Ų021.5 Ų21.50%011%0.106CC..EExtended strand (participates in β ladder)trans-77.150.4-175.333.1-37.6000112.8L536 Y846 F848 I877 M880 E881L536-P572 HydrophobicContact CD1-CG 3.95Å; P572-Y846 VanDerWaalsContact CD-CD2 3.49Å; P572-Y846 HydrophobicContact CG-CD2 3.83Å; P572-Y846 HydrophobicContact CG-CE2 3.73Å; P572-F848 HydrophobicContact CG-CE2 4.09Å; P572-F848 HydrophobicContact CG-CZ 4.03Å; P572-I877 HydrophobicContact CB-CG2 4.48Å; P572-I877 WeakPolarHBondContact O-CG2 3.42Å; P572-M880 HydrophobicContact CB-CG 4.3Å; P572-E881 HydrophobicContact CB-CB 3.8Å; P572-E881 HydrophobicContact CB-CG 4.15Å; P572-E881 HydrophobicContact CG-CG 4.43Å
573L97.5Very high86.5Confident0 Ų015 Ų150%08%0.077CC..EExtended strand (participates in β ladder)trans-137.8143.9172.7-68.6175.9000110.5E571 Q577 P623 F624 F848 A852 L855 N856E571-L573 PolarHBondContact O-N 2.81Å; L573-Q577 VanDerWaalsContact CA-OE1 3.27Å; L573-Q577 HydrophobicContact CB-CB 4.19Å; L573-Q577 HydrophobicContact CD2-CB 4.04Å; L573-Q577 HydrophobicContact CD2-CG 4.42Å; L573-P623 CarbonylContact O-C 3.54Å; L573-P623 VanDerWaalsContact O-CA 3.28Å; L573-P623 WeakPolarHBondContact O-CA 3.22Å; L573-P623 WeakPolarHBondContact O-CB 3.41Å; L573-F624 PolarHBondContact O-N 2.68Å; L573-F848 HydrophobicContact CD1-CD2 4.48Å; L573-F848 HydrophobicContact CD1-CE1 4.06Å; L573-F848 HydrophobicContact CD1-CE2 3.78Å; L573-F848 HydrophobicContact CD1-CZ 3.53Å; L573-F848 HydrophobicContact CD2-CE2 4.48Å; L573-F848 HydrophobicContact CG-CE2 3.86Å; L573-F848 HydrophobicContact CG-CZ 3.65Å; L573-A852 HydrophobicContact CD1-CB 4.37Å; L573-L855 HydrophobicContact CD1-CD1 4.17Å; L573-L855 HydrophobicContact CD2-CB 3.88Å; L573-L855 HydrophobicContact CD2-CD1 4.45Å; L573-N856 HydrophobicContact CD2-CB 3.91Å
574S97.3Very high88.8Confident0 Ų014.5 Ų14.50%07%0.074CC..EExtended strand (participates in β ladder)trans-71.3155.9167-179.60000110.5L576 Q577 R578 E630S574-L576 PolarHBondContact O-N 3.39Å; S574-L576 PolarHBondContact OG-N 3.45Å; S574-Q577 WeakPolarHBondContact O-CB 3.22Å; S574-Q577 PolarHBondContact O-N 2.93Å; S574-Q577 VanDerWaalsContact O-N 3.09Å; S574-R578 PolarHBondContact O-N 2.95Å; S574-E630 WeakPolarHBondContact CB-OE1 3.36Å; S574-E630 PolarHBondContact OG-OE1 3Å
575F96Very high90.8Very high36 Ų3612.1 Ų12.116%0.1586%0.059CC..Hα-helixtrans-61.3-28.8172.9-174.6-118.6000112Q577 R578 L579 P623 F624 P626 S655 I672 P674F575-Q577 VanDerWaalsContact C-N 3.33Å; F575-Q577 PolarHBondContact O-N 3.45Å; F575-R578 HydrophobicContact CD2-CB 4.35Å; F575-R578 HydrophobicContact CD2-CG 4.5Å; F575-R578 PolarHBondContact O-N 3.42Å; F575-L579 HydrophobicContact CD1-CD1 4.11Å; F575-L579 HydrophobicContact CD1-CG 4.42Å; F575-L579 HydrophobicContact CE1-CD1 3.77Å; F575-L579 HydrophobicContact CE1-CD2 4.31Å; F575-L579 HydrophobicContact CE1-CG 4.08Å; F575-L579 HydrophobicContact CE2-CD2 4.4Å; F575-L579 HydrophobicContact CE2-CG 4.42Å; F575-L579 HydrophobicContact CZ-CD1 4.24Å; F575-L579 HydrophobicContact CZ-CD2 3.94Å; F575-L579 HydrophobicContact CZ-CG 4.08Å; F575-L579 WeakPolarHBondContact O-CG 3.33Å; F575-L579 PolarHBondContact O-N 2.89Å; F575-P623 HydrophobicContact CB-CB 4.36Å; F575-P623 HydrophobicContact CB-CG 4.28Å; F575-P623 HydrophobicContact CD2-CG 3.81Å; F575-F624 PolarHBondContact N-O 3.45Å; F575-P626 HydrophobicContact CB-CG 3.72Å; F575-S655 WeakPolarHBondContact CD1-OG 3.31Å; F575-I672 HydrophobicContact CE1-CG2 4.27Å; F575-I672 HydrophobicContact CZ-CG2 3.98Å; F575-P674 HydrophobicContact CE1-CG 3.98Å; F575-P674 HydrophobicContact CZ-CB 4.27Å; F575-P674 HydrophobicContact CZ-CG 3.88Å
576L98.1Very high92.6Very high0 Ų09.1 Ų9.10%04%0.044CC..Hα-helixtrans-61.8-41.1173.1-57.6-173.8000112S574 L579 T580 P626 E630S574-L576 PolarHBondContact O-N 3.39Å; S574-L576 PolarHBondContact OG-N 3.45Å; L576-L579 PolarHBondContact O-N 3.33Å; L576-T580 PolarHBondContact O-N 3.21Å; L576-T580 VanDerWaalsContact O-N 3.13Å; L576-T580 PolarHBondContact O-OG1 2.94Å; L576-P626 HydrophobicContact CD1-CB 4.33Å; L576-P626 HydrophobicContact CD2-CB 4.37Å; L576-P626 HydrophobicContact CD2-CG 4.04Å; L576-P626 HydrophobicContact CG-CB 4Å; L576-P626 HydrophobicContact CG-CG 3.79Å; L576-E630 HydrophobicContact CD1-CB 4.35Å; L576-E630 HydrophobicContact CD1-CG 3.99Å; L576-E630 WeakPolarHBondContact CD1-O 3.49Å
577Q98.4Very high93.9Very high0 Ų012.5 Ų12.50%05%0.053CC..Hα-helixtrans-67.4-43174.1-74.2166.6-31.300111.1L573 S574 F575 L579 T580 E581 Y632 L855 N856 C871L573-Q577 VanDerWaalsContact CA-OE1 3.27Å; L573-Q577 HydrophobicContact CB-CB 4.19Å; L573-Q577 HydrophobicContact CD2-CB 4.04Å; L573-Q577 HydrophobicContact CD2-CG 4.42Å; S574-Q577 WeakPolarHBondContact O-CB 3.22Å; S574-Q577 PolarHBondContact O-N 2.93Å; S574-Q577 VanDerWaalsContact O-N 3.09Å; F575-Q577 VanDerWaalsContact C-N 3.33Å; F575-Q577 PolarHBondContact O-N 3.45Å; Q577-L579 VanDerWaalsContact C-N 3.28Å; Q577-L579 PolarHBondContact O-N 3.44Å; Q577-T580 WeakPolarHBondContact O-CA 3.41Å; Q577-T580 VanDerWaalsContact O-CB 3.31Å; Q577-T580 WeakPolarHBondContact O-CB 3.48Å; Q577-T580 PolarHBondContact O-N 2.88Å; Q577-E581 PolarHBondContact O-N 3.43Å; Q577-Y632 HydrophobicContact CB-CE1 4.46Å; Q577-Y632 HydrophobicContact CG-CD1 3.94Å; Q577-Y632 HydrophobicContact CG-CD2 3.61Å; Q577-Y632 HydrophobicContact CG-CE1 3.81Å; Q577-Y632 HydrophobicContact CG-CE2 3.42Å; Q577-Y632 VanDerWaalsContact CG-CE2 3.42Å; Q577-Y632 HydrophobicContact CG-CG 3.84Å; Q577-L855 HydrophobicContact CB-CB 4.32Å; Q577-L855 HydrophobicContact CB-CD1 4.18Å; Q577-L855 HydrophobicContact CG-CB 4.31Å; Q577-L855 PolarHBondContact NE2-O 2.99Å; Q577-L855 WeakPolarHBondContact O-CD1 3.41Å; Q577-N856 PolarHBondContact NE2-OD1 2.97Å; Q577-C871 PolarHBondContact NE2-SG 3.46Å
578R95.8Very high94.8Very high17 Ų1712.5 Ų12.56%0.0645%0.053CC..Hα-helixtrans-58.2-38.9175.3178.865.879.8102.4-1.5112.3E571 S574 F575 T580 E581 G621 P623E571-R578 IonicContact OE1-CZ 3.07Å; E571-R578 IonicContact OE1-NE 2.8Å; E571-R578 PolarHBondContact OE1-NE 2.83Å; E571-R578 IonicContact OE1-NH2 3.37Å; E571-R578 PolarHBondContact OE1-NH2 2.73Å; E571-R578 IonicContact OE2-CZ 2.67Å; E571-R578 IonicContact OE2-NH2 3.08Å; E571-R578 PolarHBondContact OE2-NH2 2.73Å; S574-R578 PolarHBondContact O-N 2.95Å; F575-R578 HydrophobicContact CD2-CB 4.35Å; F575-R578 HydrophobicContact CD2-CG 4.5Å; F575-R578 PolarHBondContact O-N 3.42Å; R578-T580 VanDerWaalsContact C-N 3.33Å; R578-E581 WeakPolarHBondContact CD-OE1 3.4Å; R578-E581 IonicContact NE-OE1 2.78Å; R578-E581 WeakPolarHBondContact O-CB 3.47Å; R578-E581 PolarHBondContact O-N 3.06Å; R578-G621 PolarHBondContact NH2-O 3.05Å; R578-P623 HydrophobicContact CB-CB 4.2Å; R578-P623 HydrophobicContact CB-CG 4.22Å; R578-P623 HydrophobicContact CG-CG 4.34Å
579L95.3Very high95.8Very high5 Ų511.9 Ų11.93%0.0265%0.049CC..Hα-helixtrans-67.7-33.2174.3-71.2175.3000112.4F575 L576 Q577 E581 Y582 S655 I672F575-L579 HydrophobicContact CD1-CD1 4.11Å; F575-L579 HydrophobicContact CD1-CG 4.42Å; F575-L579 HydrophobicContact CE1-CD1 3.77Å; F575-L579 HydrophobicContact CE1-CD2 4.31Å; F575-L579 HydrophobicContact CE1-CG 4.08Å; F575-L579 HydrophobicContact CE2-CD2 4.4Å; F575-L579 HydrophobicContact CE2-CG 4.42Å; F575-L579 HydrophobicContact CZ-CD1 4.24Å; F575-L579 HydrophobicContact CZ-CD2 3.94Å; F575-L579 HydrophobicContact CZ-CG 4.08Å; F575-L579 WeakPolarHBondContact O-CG 3.33Å; F575-L579 PolarHBondContact O-N 2.89Å; L576-L579 PolarHBondContact O-N 3.33Å; Q577-L579 VanDerWaalsContact C-N 3.28Å; Q577-L579 PolarHBondContact O-N 3.44Å; L579-E581 PolarHBondContact O-N 2.99Å; L579-Y582 HydrophobicContact CD2-CE2 3.93Å; L579-Y582 VanDerWaalsContact O-CB 3.29Å; L579-Y582 WeakPolarHBondContact O-CB 3.5Å; L579-Y582 PolarHBondContact O-N 3.13Å; L579-Y582 VanDerWaalsContact O-N 3.08Å; L579-S655 VanDerWaalsContact CD1-CB 3.5Å; L579-I672 HydrophobicContact CD1-CB 4.3Å; L579-I672 HydrophobicContact CD2-CB 4.09Å; L579-I672 HydrophobicContact CD2-CG1 3.89Å; L579-I672 HydrophobicContact CD2-CG2 4.23Å
580T98.3Very high96.8Very high0 Ų013 Ų130%06%0.055CC..Hα-helixtrans-65.3-21.5177.2-57.70000112.7L576 Q577 R578 Y582 M583 Y632 L634 L643 L855L576-T580 PolarHBondContact O-N 3.21Å; L576-T580 VanDerWaalsContact O-N 3.13Å; L576-T580 PolarHBondContact O-OG1 2.94Å; Q577-T580 WeakPolarHBondContact O-CA 3.41Å; Q577-T580 VanDerWaalsContact O-CB 3.31Å; Q577-T580 WeakPolarHBondContact O-CB 3.48Å; Q577-T580 PolarHBondContact O-N 2.88Å; R578-T580 VanDerWaalsContact C-N 3.33Å; T580-Y582 PolarHBondContact O-N 2.94Å; T580-Y582 VanDerWaalsContact O-N 3.09Å; T580-M583 WeakPolarHBondContact O-CB 3.46Å; T580-M583 PolarHBondContact O-N 3.23Å; T580-Y632 HydrophobicContact CG2-CE1 3.86Å; T580-Y632 VanDerWaalsContact OG1-CD1 3.31Å; T580-Y632 WeakPolarHBondContact OG1-CD1 3.36Å; T580-Y632 VanDerWaalsContact OG1-CE1 3.27Å; T580-Y632 WeakPolarHBondContact OG1-CE1 3.34Å; T580-L634 HydrophobicContact CG2-CB 4.02Å; T580-L634 HydrophobicContact CG2-CD2 3.4Å; T580-L634 HydrophobicContact CG2-CG 4.35Å; T580-L643 HydrophobicContact CG2-CD1 4.08Å; T580-L643 HydrophobicContact CG2-CD2 4.19Å; T580-L643 WeakPolarHBondContact OG1-CD2 3.18Å; T580-L855 HydrophobicContact CG2-CD2 4.01Å
581E97.5Very high97.2Very high1 Ų117.3 Ų17.31%0.0057%0.074CC..G310 helixtrans-59.3-17.4171.6-61.3-178.6-138.300113.1Q577 R578 L579 M583 E584 S615 R619 F851 L855Q577-E581 PolarHBondContact O-N 3.43Å; R578-E581 WeakPolarHBondContact CD-OE1 3.4Å; R578-E581 IonicContact NE-OE1 2.78Å; R578-E581 WeakPolarHBondContact O-CB 3.47Å; R578-E581 PolarHBondContact O-N 3.06Å; L579-E581 PolarHBondContact O-N 2.99Å; E581-M583 PolarHBondContact O-N 3.03Å; E581-M583 VanDerWaalsContact O-N 3.09Å; E581-E584 WeakPolarHBondContact O-CB 3.41Å; E581-E584 PolarHBondContact O-N 2.88Å; E581-S615 VanDerWaalsContact OE2-CB 3.3Å; E581-S615 WeakPolarHBondContact OE2-CB 3.12Å; E581-S615 PolarHBondContact OE2-OG 3.36Å; E581-R619 IonicContact OE1-CZ 2.82Å; E581-R619 IonicContact OE1-NH1 3.95Å; E581-R619 PolarHBondContact OE1-NH1 3.42Å; E581-R619 VanDerWaalsContact OE1-NH1 3.12Å; E581-R619 IonicContact OE1-NH2 3.21Å; E581-R619 PolarHBondContact OE1-NH2 2.97Å; E581-R619 IonicContact OE2-CZ 3.95Å; E581-R619 IonicContact OE2-NH1 2.79Å; E581-R619 PolarHBondContact OE2-NH1 2.87Å; E581-R619 IonicContact OE2-NH2 3.37Å; E581-F851 HydrophobicContact CG-CD1 4.4Å; E581-L855 HydrophobicContact CG-CD1 3.69Å
582Y97.9Very high97.4Very high19 Ų1917.3 Ų17.38%0.0757%0.074CC..G310 helixtrans-54.8-28.3169.9-68.2-6.5000112.5L579 T580 F608 A612 V613 F657 F668 I691 N706L579-Y582 HydrophobicContact CD2-CE2 3.93Å; L579-Y582 VanDerWaalsContact O-CB 3.29Å; L579-Y582 WeakPolarHBondContact O-CB 3.5Å; L579-Y582 PolarHBondContact O-N 3.13Å; L579-Y582 VanDerWaalsContact O-N 3.08Å; T580-Y582 PolarHBondContact O-N 2.94Å; T580-Y582 VanDerWaalsContact O-N 3.09Å; Y582-F608 VanDerWaalsContact O-CE2 3.25Å; Y582-F608 WeakPolarHBondContact O-CE2 3.31Å; Y582-F608 WeakPolarHBondContact O-CZ 3.46Å; Y582-A612 HydrophobicContact CD1-CB 3.92Å; Y582-A612 WeakPolarHBondContact CD1-O 3.37Å; Y582-A612 HydrophobicContact CG-CB 4.06Å; Y582-V613 HydrophobicContact CE1-CG1 4.29Å; Y582-F657 HydrophobicContact CD2-CZ 4.37Å; Y582-F668 HydrophobicContact CD2-CE1 4.29Å; Y582-F668 HydrophobicContact CD2-CZ 4.2Å; Y582-I691 HydrophobicContact CE2-CD1 4.3Å; Y582-N706 WeakPolarHBondContact CE2-ND2 3.33Å; Y582-N706 VanDerWaalsContact CZ-ND2 3.25Å; Y582-N706 PolarHBondContact OH-ND2 3.14Å
583M98.1Very high97.5Very high0 Ų017.5 Ų17.50%08%0.075CC..G310 helixtrans-89.68.5-178-52.7-49.7-74.300114T580 E581 H585 T586 I589 F608 F641 L643 A659 F666 F668 F851T580-M583 WeakPolarHBondContact O-CB 3.46Å; T580-M583 PolarHBondContact O-N 3.23Å; E581-M583 PolarHBondContact O-N 3.03Å; E581-M583 VanDerWaalsContact O-N 3.09Å; M583-H585 PolarHBondContact O-N 3.46Å; M583-T586 WeakPolarHBondContact CA-OG1 3.42Å; M583-T586 HydrophobicContact CE-CG2 4.25Å; M583-T586 WeakPolarHBondContact CE-OG1 3.44Å; M583-T586 PolarHBondContact O-N 3.11Å; M583-T586 PolarHBondContact O-OG1 2.82Å; M583-I589 HydrophobicContact CE-CD1 4.21Å; M583-F608 HydrophobicContact SD-CZ 4.07Å; M583-F641 HydrophobicContact CB-CD2 4.32Å; M583-F641 HydrophobicContact CB-CE1 3.92Å; M583-F641 HydrophobicContact CB-CE2 3.64Å; M583-F641 HydrophobicContact CB-CZ 3.41Å; M583-F641 VanDerWaalsContact CB-CZ 3.41Å; M583-F641 HydrophobicContact CE-CD2 4.33Å; M583-F641 HydrophobicContact CE-CG 4.42Å; M583-F641 HydrophobicContact CG-CD2 4.38Å; M583-F641 HydrophobicContact CG-CE2 3.93Å; M583-F641 HydrophobicContact CG-CZ 4.24Å; M583-L643 HydrophobicContact CG-CD1 3.66Å; M583-A659 HydrophobicContact CE-CB 3.86Å; M583-A659 HydrophobicContact SD-CB 4.33Å; M583-F666 HydrophobicContact CE-CE2 3.7Å; M583-F666 HydrophobicContact CE-CZ 3.81Å; M583-F668 HydrophobicContact CE-CB 4.32Å; M583-F668 HydrophobicContact CE-CD1 4.03Å; M583-F668 HydrophobicContact CE-CG 4.46Å; M583-F668 HydrophobicContact SD-CD1 3.23Å; M583-F668 WeakPolarHBondContact SD-CD1 3.14Å; M583-F668 HydrophobicContact SD-CE1 3.55Å; M583-F668 VanDerWaalsContact SD-CE1 3.55Å; M583-F668 HydrophobicContact SD-CG 4.12Å; M583-F851 HydrophobicContact CB-CZ 4.44Å
584E97.1Very high97.5Very high26 Ų2621.9 Ų21.912%0.12111%0.106CC..G310 helixtrans-59.4-34.7178.9179.2169.3-165.800112.1E581 T849 F851E581-E584 WeakPolarHBondContact O-CB 3.41Å; E581-E584 PolarHBondContact O-N 2.88Å; E584-T849 WeakPolarHBondContact OE1-CB 3.44Å; E584-T849 PolarHBondContact OE1-OG1 2.94Å; E584-F851 HydrophobicContact CB-CB 4.28Å; E584-F851 HydrophobicContact CB-CD1 4.12Å; E584-F851 HydrophobicContact CB-CD2 4.14Å; E584-F851 HydrophobicContact CB-CE1 4.5Å; E584-F851 HydrophobicContact CB-CG 3.93Å; E584-F851 HydrophobicContact CG-CB 3.77Å; E584-F851 HydrophobicContact CG-CD2 4.2Å; E584-F851 HydrophobicContact CG-CG 3.94Å
585H97.8Very high97.5Very high6 Ų623.6 Ų23.63%0.02812%0.115CC..G310 helixtrans-113.334.9-175.8-54.788.1000112.7M583 Y587 L588 S611 W833M583-H585 PolarHBondContact O-N 3.46Å; H585-Y587 HydrophobicContact CB-CD1 4.33Å; H585-Y587 HydrophobicContact CB-CE1 3.79Å; H585-Y587 AromaticContact CD2-CE1 3.83Å; H585-Y587 PolarHBondContact O-N 3.45Å; H585-L588 HydrophobicContact CB-CD1 4Å; H585-L588 WeakPolarHBondContact O-CB 3.43Å; H585-L588 PolarHBondContact O-N 3.27Å; H585-S611 WeakPolarHBondContact CB-OG 3.37Å; H585-W833 AromaticContact CD2-CD1 3.68Å; H585-W833 AromaticContact CD2-NE1 3.13Å; H585-W833 PolarHBondContact CD2-NE1 2.98Å; H585-W833 AromaticContact CE1-NE1 3.7Å; H585-W833 AromaticContact CG-NE1 3.66Å; H585-W833 AromaticContact ND1-NE1 3.97Å; H585-W833 AromaticContact NE2-NE1 3.13Å; H585-W833 PolarHBondContact NE2-NE1 3.26Å; H585-W833 VanDerWaalsContact NE2-NE1 3.13Å
586T98Very high97.5Very high0 Ų027 Ų270%014%0.143CC..THydrogen-bonded Turntrans-53.5-25179.4-61.90000114.2M583 L588 I589 H590 F641 F666M583-T586 WeakPolarHBondContact CA-OG1 3.42Å; M583-T586 HydrophobicContact CE-CG2 4.25Å; M583-T586 WeakPolarHBondContact CE-OG1 3.44Å; M583-T586 PolarHBondContact O-N 3.11Å; M583-T586 PolarHBondContact O-OG1 2.82Å; T586-L588 PolarHBondContact O-N 2.95Å; T586-I589 HydrophobicContact CG2-CD1 4.43Å; T586-I589 WeakPolarHBondContact O-CA 3.32Å; T586-I589 WeakPolarHBondContact O-CB 3.45Å; T586-I589 PolarHBondContact O-N 3.37Å; T586-H590 PolarHBondContact O-N 2.64Å; T586-F641 HydrophobicContact CG2-CB 4.29Å; T586-F641 HydrophobicContact CG2-CD1 3.98Å; T586-F641 HydrophobicContact CG2-CG 4.39Å; T586-F666 HydrophobicContact CG2-CE1 3.67Å; T586-F666 HydrophobicContact CG2-CZ 3.54Å
587Y97.5Very high97.4Very high111 Ų11130.2 Ų30.244%0.43516%0.16SC..Hα-helixtrans-55.3-24.5173.773.6-94000113.5H585 I589 K591H585-Y587 HydrophobicContact CB-CD1 4.33Å; H585-Y587 HydrophobicContact CB-CE1 3.79Å; H585-Y587 AromaticContact CD2-CE1 3.83Å; H585-Y587 PolarHBondContact O-N 3.45Å; Y587-I589 VanDerWaalsContact C-N 3.35Å; Y587-K591 VanDerWaalsContact O-CB 3.29Å; Y587-K591 WeakPolarHBondContact O-CB 3.41Å; Y587-K591 PolarHBondContact O-N 3.3Å
588L98.4Very high97.3Very high2 Ų232.1 Ų32.11%0.0117%0.172CC..Hα-helixtrans-68.6-34.1173.7-67.6171.8000112.1H585 T586 A592 A607 F608 W833H585-L588 HydrophobicContact CB-CD1 4Å; H585-L588 WeakPolarHBondContact O-CB 3.43Å; H585-L588 PolarHBondContact O-N 3.27Å; T586-L588 PolarHBondContact O-N 2.95Å; L588-A592 WeakPolarHBondContact O-CB 3.37Å; L588-A592 PolarHBondContact O-N 3.29Å; L588-A607 HydrophobicContact CD1-CB 4.11Å; L588-A607 HydrophobicContact CD2-CB 4.39Å; L588-F608 HydrophobicContact CB-CB 4.04Å; L588-F608 HydrophobicContact CD1-CB 4.29Å; L588-W833 HydrophobicContact CD1-CB 4.16Å; L588-W833 HydrophobicContact CD1-CG 4.24Å
589I98.4Very high97.4Very high1 Ų132.5 Ų32.51%0.00518%0.177CC..Hα-helixtrans-70-47.7174.2-59169.5000109.7M583 T586 Y587 K591 A592 S593 F608 F666 L693 L695M583-I589 HydrophobicContact CE-CD1 4.21Å; T586-I589 HydrophobicContact CG2-CD1 4.43Å; T586-I589 WeakPolarHBondContact O-CA 3.32Å; T586-I589 WeakPolarHBondContact O-CB 3.45Å; T586-I589 PolarHBondContact O-N 3.37Å; Y587-I589 VanDerWaalsContact C-N 3.35Å; I589-K591 VanDerWaalsContact C-N 3.26Å; I589-K591 PolarHBondContact O-N 2.86Å; I589-A592 CarbonylContact O-C 3.5Å; I589-A592 WeakPolarHBondContact O-CA 3.42Å; I589-A592 WeakPolarHBondContact O-CB 3.41Å; I589-A592 PolarHBondContact O-N 3.29Å; I589-S593 PolarHBondContact O-N 3.31Å; I589-F608 HydrophobicContact CD1-CD1 4.13Å; I589-F608 HydrophobicContact CD1-CD2 3.89Å; I589-F608 HydrophobicContact CD1-CE1 3.81Å; I589-F608 HydrophobicContact CD1-CE2 3.54Å; I589-F608 HydrophobicContact CD1-CG 4.18Å; I589-F608 HydrophobicContact CD1-CZ 3.5Å; I589-F608 HydrophobicContact CG1-CD1 4.1Å; I589-F608 HydrophobicContact CG1-CD2 3.76Å; I589-F608 HydrophobicContact CG1-CE1 4.29Å; I589-F608 HydrophobicContact CG1-CE2 3.96Å; I589-F608 HydrophobicContact CG1-CG 3.83Å; I589-F608 HydrophobicContact CG1-CZ 4.24Å; I589-F666 HydrophobicContact CB-CD1 4.35Å; I589-F666 HydrophobicContact CB-CG 4.44Å; I589-F666 HydrophobicContact CD1-CD2 4.15Å; I589-F666 HydrophobicContact CD1-CE2 3.97Å; I589-F666 HydrophobicContact CD1-CZ 4.3Å; I589-F666 HydrophobicContact CG2-CB 3.5Å; I589-F666 VanDerWaalsContact CG2-CB 3.5Å; I589-F666 HydrophobicContact CG2-CD1 3.58Å; I589-F666 HydrophobicContact CG2-CD2 3.86Å; I589-F666 HydrophobicContact CG2-CE1 4.24Å; I589-F666 HydrophobicContact CG2-CG 3.36Å; I589-L693 HydrophobicContact CD1-CD1 3.91Å; I589-L693 HydrophobicContact CG1-CD1 4.23Å; I589-L693 HydrophobicContact CG1-CD2 4.22Å; I589-L693 HydrophobicContact CG2-CD1 3.89Å; I589-L693 HydrophobicContact CG2-CD2 4.43Å; I589-L695 HydrophobicContact CG2-CD2 3.8Å
590H97.6Very high97.5Very high47 Ų4736.1 Ų36.122%0.21819%0.194CC..Hα-helixtrans-57.6-42175-64.5-48.6000111.7T586 S593 S594 L639 D665 F666T586-H590 PolarHBondContact O-N 2.64Å; H590-S593 PolarHBondContact O-N 2.87Å; H590-S594 PolarHBondContact O-N 3.35Å; H590-L639 PolarHBondContact NE2-O 3.48Å; H590-D665 IonicContact CE1-OD1 3.12Å; H590-D665 IonicContact CE1-OD2 3.44Å; H590-D665 PolarHBondContact CE1-OD2 2.9Å; H590-D665 IonicContact CG-OD2 3.7Å; H590-D665 IonicContact ND1-OD1 2.89Å; H590-D665 IonicContact ND1-OD2 2.81Å; H590-D665 PolarHBondContact ND1-OD2 2.88Å; H590-F666 AromaticContact CE1-CD1 3.97Å; H590-F666 AromaticContact CE1-CE1 3.51Å
591K97.6Very high97.5Very high92 Ų9236.4 Ų36.440%0.420%0.195SC..Hα-helixtrans-60.6-46.8173-173.7179.8177.9-174.90111Y587 I589 S593 S594 L595Y587-K591 VanDerWaalsContact O-CB 3.29Å; Y587-K591 WeakPolarHBondContact O-CB 3.41Å; Y587-K591 PolarHBondContact O-N 3.3Å; I589-K591 VanDerWaalsContact C-N 3.26Å; I589-K591 PolarHBondContact O-N 2.86Å; K591-S593 VanDerWaalsContact C-N 3.33Å; K591-S593 PolarHBondContact O-N 2.92Å; K591-S594 PolarHBondContact O-N 3.08Å; K591-S594 PolarHBondContact O-OG 3.18Å; K591-L595 HydrophobicContact CG-CD1 4.25Å; K591-L595 VanDerWaalsContact O-CG 3.27Å; K591-L595 WeakPolarHBondContact O-CG 3.46Å; K591-L595 PolarHBondContact O-N 3.06Å
592A97.9Very high97.5Very high0 Ų036.4 Ų36.40%019%0.194CC..Hα-helixtrans-57.5-45.5175.600000111.7L588 I589 S594 L595 R601 C604 V605 L695L588-A592 WeakPolarHBondContact O-CB 3.37Å; L588-A592 PolarHBondContact O-N 3.29Å; I589-A592 CarbonylContact O-C 3.5Å; I589-A592 WeakPolarHBondContact O-CA 3.42Å; I589-A592 WeakPolarHBondContact O-CB 3.41Å; I589-A592 PolarHBondContact O-N 3.29Å; A592-S594 VanDerWaalsContact C-N 3.26Å; A592-S594 PolarHBondContact O-N 3.21Å; A592-L595 PolarHBondContact O-N 2.82Å; A592-R601 WeakPolarHBondContact O-CD 3.38Å; A592-R601 WeakPolarHBondContact O-CG 3.46Å; A592-C604 HydrophobicContact CB-CB 3.66Å; A592-V605 HydrophobicContact CB-CG2 4.34Å; A592-L695 HydrophobicContact CB-CD1 3.99Å
593S97.3Very high97.6Very high4 Ų436.8 Ų36.83%0.02820%0.197CC..Hα-helixtrans-61.2-35178.5-157.20000112.3I589 H590 K591 L595 H698I589-S593 PolarHBondContact O-N 3.31Å; H590-S593 PolarHBondContact O-N 2.87Å; K591-S593 VanDerWaalsContact C-N 3.33Å; K591-S593 PolarHBondContact O-N 2.92Å; S593-L595 VanDerWaalsContact C-N 3.3Å; S593-L595 PolarHBondContact O-N 2.75Å; S593-H698 PolarHBondContact O-NE2 3.01Å
594S96.7Very high97.6Very high93 Ų9337 Ų3765%0.6520%0.199SC*.Hα-helixtrans-73.6-13.3178.773.10000115.7H590 K591 A592H590-S594 PolarHBondContact O-N 3.35Å; K591-S594 PolarHBondContact O-N 3.08Å; K591-S594 PolarHBondContact O-OG 3.18Å; A592-S594 VanDerWaalsContact C-N 3.26Å; A592-S594 PolarHBondContact O-N 3.21Å
595L97.4Very high97.7Very high36 Ų3635.9 Ų35.919%0.18819%0.193CC..  trans-93.7137.9-172.4-67.7166.8000112.2K591 A592 S593 E600 R601 C604 H698K591-L595 HydrophobicContact CG-CD1 4.25Å; K591-L595 VanDerWaalsContact O-CG 3.27Å; K591-L595 WeakPolarHBondContact O-CG 3.46Å; K591-L595 PolarHBondContact O-N 3.06Å; A592-L595 PolarHBondContact O-N 2.82Å; S593-L595 VanDerWaalsContact C-N 3.3Å; S593-L595 PolarHBondContact O-N 2.75Å; L595-E600 HydrophobicContact CD1-CB 4.03Å; L595-R601 HydrophobicContact CB-CG 4.02Å; L595-R601 PolarHBondContact O-NH1 3.18Å; L595-C604 VanDerWaalsContact CD1-SG 3.6Å; L595-H698 PolarHBondContact O-CE1 2.9Å
596S96.1Very high97.7Very high108 Ų10835.6 Ų35.676%0.75519%0.192SC*.SBendtrans-82.5-32.7179.455.40000114P598 R601S596-P598 WeakPolarHBondContact O-CD 3.4Å; S596-R601 PolarHBondContact O-NH1 2.99Å
597D97.2Very high97.7Very high67 Ų6735.6 Ų35.636%0.35819%0.192SC..  trans-78.9119.8-179.4-174.2-17.3000111V599 E600 R601D597-V599 PolarHBondContact O-N 2.94Å; D597-V599 WeakPolarHBondContact OD1-CB 3.41Å; D597-V599 PolarHBondContact OD1-N 2.81Å; D597-E600 HydrophobicContact CB-CB 4.11Å; D597-E600 HydrophobicContact CB-CG 3.85Å; D597-E600 PolarHBondContact O-N 3.48Å; D597-R601 WeakPolarHBondContact O-CG 3.36Å; D597-R601 PolarHBondContact O-N 3.12Å
598P96.7Very high97.8Very high39 Ų3930.3 Ų30.325%0.25317%0.171SC..Hα-helixtrans-57.1-29.1176.8-18.127000114.6S596 M602 T734S596-P598 WeakPolarHBondContact O-CD 3.4Å; P598-M602 WeakPolarHBondContact O-CB 3.41Å; P598-M602 PolarHBondContact O-N 3.13Å; P598-T734 HydrophobicContact CB-CG2 4Å; P598-T734 HydrophobicContact CG-CG2 4.29Å
599V96.6Very high97.8Very high25 Ų2530.4 Ų30.415%0.15217%0.173CC..Hα-helixtrans-74-42.1179.7-175.90000110.4D597 R601 M602 Q603 I759 L767D597-V599 PolarHBondContact O-N 2.94Å; D597-V599 WeakPolarHBondContact OD1-CB 3.41Å; D597-V599 PolarHBondContact OD1-N 2.81Å; V599-R601 VanDerWaalsContact C-N 3.32Å; V599-M602 WeakPolarHBondContact O-CB 3.48Å; V599-M602 PolarHBondContact O-N 3.21Å; V599-Q603 WeakPolarHBondContact O-CG 3.39Å; V599-Q603 PolarHBondContact O-N 3.24Å; V599-I759 HydrophobicContact CG1-CG2 4.27Å; V599-L767 HydrophobicContact CG1-CB 4.31Å; V599-L767 HydrophobicContact CG1-CD1 4.12Å; V599-L767 HydrophobicContact CG2-CD1 3.56Å
600E97.7Very high97.7Very high82 Ų8230.4 Ų30.438%0.38317%0.172SC..Hα-helixtrans-66.3-35.9173.7-62.1-174.816000111.4L595 D597 Q603 C604L595-E600 HydrophobicContact CD1-CB 4.03Å; D597-E600 HydrophobicContact CB-CB 4.11Å; D597-E600 HydrophobicContact CB-CG 3.85Å; D597-E600 PolarHBondContact O-N 3.48Å; E600-Q603 WeakPolarHBondContact O-CB 3.47Å; E600-Q603 PolarHBondContact O-N 3.4Å; E600-C604 PolarHBondContact O-N 3.05Å; E600-C604 PolarHBondContact O-SG 2.88Å; E600-C604 VanDerWaalsContact O-SG 3.36Å
601R98.2Very high97.7Very high6 Ų628.2 Ų28.22%0.02316%0.162CC..Hα-helixtrans-59.2-49168.7-67.7-158.7-69.4-78.3-0.3111.2A592 L595 S596 D597 V599 Q603 C604 V605 H698 E700A592-R601 WeakPolarHBondContact O-CD 3.38Å; A592-R601 WeakPolarHBondContact O-CG 3.46Å; L595-R601 HydrophobicContact CB-CG 4.02Å; L595-R601 PolarHBondContact O-NH1 3.18Å; S596-R601 PolarHBondContact O-NH1 2.99Å; D597-R601 WeakPolarHBondContact O-CG 3.36Å; D597-R601 PolarHBondContact O-N 3.12Å; V599-R601 VanDerWaalsContact C-N 3.32Å; R601-Q603 VanDerWaalsContact C-N 3.28Å; R601-Q603 PolarHBondContact O-N 3.33Å; R601-C604 WeakPolarHBondContact O-CB 3.14Å; R601-C604 PolarHBondContact O-N 3.24Å; R601-V605 WeakPolarHBondContact O-CG2 3.41Å; R601-V605 PolarHBondContact O-N 3.13Å; R601-H698 PolarHBondContact NH1-ND1 3.34Å; R601-E700 IonicContact CZ-OE1 3.21Å; R601-E700 IonicContact CZ-OE2 2.87Å; R601-E700 IonicContact NE-OE2 3.19Å; R601-E700 PolarHBondContact NE-OE2 3.26Å; R601-E700 IonicContact NH2-OE1 2.72Å; R601-E700 PolarHBondContact NH2-OE1 3.11Å; R601-E700 IonicContact NH2-OE2 3.73Å; R601-E700 PolarHBondContact NH2-OE2 2.93Å
602M98.4Very high97.6Very high0 Ų023.9 Ų23.90%014%0.144CC..Hα-helixtrans-59.6-36.7177.3-176.964.379.200112.2P598 V599 V605 A606 Y702 I729 N731 D736 C738 I759P598-M602 WeakPolarHBondContact O-CB 3.41Å; P598-M602 PolarHBondContact O-N 3.13Å; V599-M602 WeakPolarHBondContact O-CB 3.48Å; V599-M602 PolarHBondContact O-N 3.21Å; M602-V605 PolarHBondContact O-N 2.88Å; M602-A606 VanDerWaalsContact O-CB 3.24Å; M602-A606 WeakPolarHBondContact O-CB 3.16Å; M602-A606 PolarHBondContact O-N 2.59Å; M602-Y702 HydrophobicContact CE-CD1 3.86Å; M602-Y702 HydrophobicContact CE-CE1 3.77Å; M602-Y702 HydrophobicContact SD-CD1 4.09Å; M602-Y702 HydrophobicContact SD-CE1 4.1Å; M602-I729 HydrophobicContact SD-CB 4.26Å; M602-I729 HydrophobicContact SD-CG2 3.97Å; M602-N731 HydrophobicContact CE-CB 3.66Å; M602-D736 HydrophobicContact CE-CB 4.08Å; M602-D736 WeakPolarHBondContact CE-O 3.37Å; M602-C738 HydrophobicContact CG-CB 3.89Å; M602-C738 HydrophobicContact SD-CB 3.67Å; M602-I759 HydrophobicContact CB-CD1 4.14Å; M602-I759 HydrophobicContact CB-CG2 4.39Å; M602-I759 HydrophobicContact CG-CD1 3.83Å; M602-I759 HydrophobicContact CG-CG1 3.93Å; M602-I759 HydrophobicContact CG-CG2 3.86Å
603Q98.3Very high97.4Very high28 Ų2824.2 Ų24.213%0.13115%0.146CC..Hα-helixtrans-61.3-44.2172.2-71.2173.2-37.800111.8V599 E600 R601 A606 A607 I759 S780 L832V599-Q603 WeakPolarHBondContact O-CG 3.39Å; V599-Q603 PolarHBondContact O-N 3.24Å; E600-Q603 WeakPolarHBondContact O-CB 3.47Å; E600-Q603 PolarHBondContact O-N 3.4Å; R601-Q603 VanDerWaalsContact C-N 3.28Å; R601-Q603 PolarHBondContact O-N 3.33Å; Q603-A606 PolarHBondContact O-N 2.82Å; Q603-A607 WeakPolarHBondContact O-CB 3.44Å; Q603-A607 PolarHBondContact O-N 3.13Å; Q603-I759 HydrophobicContact CB-CD1 4.21Å; Q603-I759 HydrophobicContact CG-CD1 3.39Å; Q603-S780 PolarHBondContact NE2-OG 3.22Å; Q603-L832 HydrophobicContact CB-CD1 3.97Å; Q603-L832 HydrophobicContact CB-CD2 4Å; Q603-L832 HydrophobicContact CG-CD1 4.48Å
604C98.5Very high97.2Very high5 Ų524 Ų243%0.03415%0.145CC..Hα-helixtrans-67.2-41177.6-65.40000112.1A592 L595 E600 R601 A607 F608A592-C604 HydrophobicContact CB-CB 3.66Å; L595-C604 VanDerWaalsContact CD1-SG 3.6Å; E600-C604 PolarHBondContact O-N 3.05Å; E600-C604 PolarHBondContact O-SG 2.88Å; E600-C604 VanDerWaalsContact O-SG 3.36Å; R601-C604 WeakPolarHBondContact O-CB 3.14Å; R601-C604 PolarHBondContact O-N 3.24Å; C604-A607 PolarHBondContact O-N 3.31Å; C604-F608 WeakPolarHBondContact O-CB 3.39Å; C604-F608 PolarHBondContact O-N 3.24Å
605V98.6Very high97Very high1 Ų119.6 Ų19.61%0.00611%0.114CC..Hα-helixtrans-64.5-41.6175.1176.30000111.1A592 R601 M602 F608 A609 L693 Y702 W704 I729A592-V605 HydrophobicContact CB-CG2 4.34Å; R601-V605 WeakPolarHBondContact O-CG2 3.41Å; R601-V605 PolarHBondContact O-N 3.13Å; M602-V605 PolarHBondContact O-N 2.88Å; V605-F608 WeakPolarHBondContact O-CB 3.32Å; V605-F608 PolarHBondContact O-N 2.98Å; V605-A609 PolarHBondContact O-N 3.14Å; V605-L693 HydrophobicContact CG1-CD2 4.05Å; V605-L693 HydrophobicContact CG2-CD2 3.86Å; V605-Y702 HydrophobicContact CB-CD1 4.37Å; V605-Y702 HydrophobicContact CG1-CD1 4.02Å; V605-Y702 HydrophobicContact CG1-CG 4.02Å; V605-Y702 HydrophobicContact CG2-CD1 4.2Å; V605-Y702 HydrophobicContact CG2-CD2 4.22Å; V605-Y702 HydrophobicContact CG2-CE1 4.1Å; V605-Y702 HydrophobicContact CG2-CE2 4.15Å; V605-Y702 HydrophobicContact CG2-CG 4.25Å; V605-W704 HydrophobicContact CG1-CZ3 4.3Å; V605-I729 HydrophobicContact CG1-CG2 3.95Å
606A98.5Very high96.5Very high0 Ų019.2 Ų19.20%011%0.111CC..Hα-helixtrans-63.2-41.8174.400000112.1M602 Q603 F608 A609 V610 I729 L740 L770M602-A606 VanDerWaalsContact O-CB 3.24Å; M602-A606 WeakPolarHBondContact O-CB 3.16Å; M602-A606 PolarHBondContact O-N 2.59Å; Q603-A606 PolarHBondContact O-N 2.82Å; A606-F608 VanDerWaalsContact C-N 3.34Å; A606-A609 PolarHBondContact O-N 3.07Å; A606-V610 WeakPolarHBondContact O-CG2 3.19Å; A606-V610 PolarHBondContact O-N 3.21Å; A606-V610 VanDerWaalsContact O-N 3.08Å; A606-I729 HydrophobicContact CB-CD1 3.99Å; A606-L740 HydrophobicContact CB-CD1 4.27Å; A606-L770 HydrophobicContact CB-CD1 3.78Å
607A98.5Very high96.1Very high0 Ų016.4 Ų16.40%08%0.084CC..Hα-helixtrans-62.7-41.4173.700000111.9L588 Q603 C604 V610 S611 L778 L832 W833L588-A607 HydrophobicContact CD1-CB 4.11Å; L588-A607 HydrophobicContact CD2-CB 4.39Å; Q603-A607 WeakPolarHBondContact O-CB 3.44Å; Q603-A607 PolarHBondContact O-N 3.13Å; C604-A607 PolarHBondContact O-N 3.31Å; A607-V610 PolarHBondContact O-N 3.06Å; A607-S611 VanDerWaalsContact O-CB 3.27Å; A607-S611 WeakPolarHBondContact O-CB 3.44Å; A607-S611 PolarHBondContact O-N 3.36Å; A607-S611 PolarHBondContact O-OG 3.32Å; A607-L778 HydrophobicContact CB-CD2 4.15Å; A607-L832 HydrophobicContact CB-CB 3.81Å; A607-L832 HydrophobicContact CB-CD1 4.47Å; A607-W833 HydrophobicContact CB-CB 3.98Å
608F98.6Very high95.4Very high0 Ų017 Ų170%08%0.084CC..Hα-helixtrans-60.9-49.5175.2175.5-103.3000111.3Y582 M583 L588 I589 C604 V605 A606 V610 S611 A612 F668 W704Y582-F608 VanDerWaalsContact O-CE2 3.25Å; Y582-F608 WeakPolarHBondContact O-CE2 3.31Å; Y582-F608 WeakPolarHBondContact O-CZ 3.46Å; M583-F608 HydrophobicContact SD-CZ 4.07Å; L588-F608 HydrophobicContact CB-CB 4.04Å; L588-F608 HydrophobicContact CD1-CB 4.29Å; I589-F608 HydrophobicContact CD1-CD1 4.13Å; I589-F608 HydrophobicContact CD1-CD2 3.89Å; I589-F608 HydrophobicContact CD1-CE1 3.81Å; I589-F608 HydrophobicContact CD1-CE2 3.54Å; I589-F608 HydrophobicContact CD1-CG 4.18Å; I589-F608 HydrophobicContact CD1-CZ 3.5Å; I589-F608 HydrophobicContact CG1-CD1 4.1Å; I589-F608 HydrophobicContact CG1-CD2 3.76Å; I589-F608 HydrophobicContact CG1-CE1 4.29Å; I589-F608 HydrophobicContact CG1-CE2 3.96Å; I589-F608 HydrophobicContact CG1-CG 3.83Å; I589-F608 HydrophobicContact CG1-CZ 4.24Å; C604-F608 WeakPolarHBondContact O-CB 3.39Å; C604-F608 PolarHBondContact O-N 3.24Å; V605-F608 WeakPolarHBondContact O-CB 3.32Å; V605-F608 PolarHBondContact O-N 2.98Å; A606-F608 VanDerWaalsContact C-N 3.34Å; F608-V610 VanDerWaalsContact C-N 3.32Å; F608-V610 PolarHBondContact O-N 3.41Å; F608-S611 WeakPolarHBondContact CA-OG 3.28Å; F608-S611 PolarHBondContact O-N 3.39Å; F608-S611 VanDerWaalsContact O-N 3.08Å; F608-S611 PolarHBondContact O-OG 3.33Å; F608-A612 WeakPolarHBondContact O-CB 3.28Å; F608-A612 PolarHBondContact O-N 3.36Å; F608-F668 HydrophobicContact CE1-CD2 4.01Å; F608-F668 HydrophobicContact CE1-CE1 4.5Å; F608-F668 AromaticContact CE1-CE2 3.63Å; F608-F668 HydrophobicContact CE1-CE2 3.63Å; F608-F668 AromaticContact CE1-CZ 3.91Å; F608-F668 HydrophobicContact CE1-CZ 3.91Å; F608-F668 HydrophobicContact CZ-CE1 4.33Å; F608-F668 HydrophobicContact CZ-CE2 4.24Å; F608-F668 HydrophobicContact CZ-CZ 4.15Å; F608-W704 HydrophobicContact CD1-CH2 4.2Å; F608-W704 HydrophobicContact CD1-CZ2 4.34Å; F608-W704 HydrophobicContact CE1-CH2 4.25Å; F608-W704 HydrophobicContact CE1-CZ2 4.32Å
609A98.1Very high95Very high5 Ų515.2 Ų15.24%0.0417%0.073CC..Hα-helixtrans-58.1-40.2178.600000112.9V605 A606 W704 I729V605-A609 PolarHBondContact O-N 3.14Å; A606-A609 PolarHBondContact O-N 3.07Å; A609-W704 HydrophobicContact CB-CD2 4.48Å; A609-W704 HydrophobicContact CB-CZ2 4.04Å; A609-I729 HydrophobicContact CB-CD1 3.84Å
610V97.9Very high94.3Very high0 Ų015.8 Ų15.80%08%0.076CC..Hα-helixtrans-68.9-44173.81750000111.2A606 A607 F608 A612 V613 L740 F742 V755 W774 L778 W833A606-V610 WeakPolarHBondContact O-CG2 3.19Å; A606-V610 PolarHBondContact O-N 3.21Å; A606-V610 VanDerWaalsContact O-N 3.08Å; A607-V610 PolarHBondContact O-N 3.06Å; F608-V610 VanDerWaalsContact C-N 3.32Å; F608-V610 PolarHBondContact O-N 3.41Å; V610-A612 VanDerWaalsContact C-N 3.31Å; V610-A612 PolarHBondContact O-N 2.92Å; V610-V613 VanDerWaalsContact O-CG2 3.31Å; V610-V613 WeakPolarHBondContact O-CG2 3.21Å; V610-V613 PolarHBondContact O-N 3.06Å; V610-L740 HydrophobicContact CG2-CD1 3.78Å; V610-F742 HydrophobicContact CG2-CZ 4.07Å; V610-V755 HydrophobicContact CG2-CG1 4.26Å; V610-W774 HydrophobicContact CG1-CB 3.99Å; V610-L778 HydrophobicContact CB-CD2 4.33Å; V610-L778 HydrophobicContact CG2-CD1 4.44Å; V610-L778 HydrophobicContact CG2-CD2 4Å; V610-W833 HydrophobicContact CG1-CE3 4.36Å; V610-W833 HydrophobicContact CG1-CZ3 4.08Å
611S97.3Very high93.6Very high1 Ų112.1 Ų12.11%0.0076%0.061CC..Hα-helixtrans-66.1-31.7-177.974.50000113.3H585 A607 F608 V613 A614 W833H585-S611 WeakPolarHBondContact CB-OG 3.37Å; A607-S611 VanDerWaalsContact O-CB 3.27Å; A607-S611 WeakPolarHBondContact O-CB 3.44Å; A607-S611 PolarHBondContact O-N 3.36Å; A607-S611 PolarHBondContact O-OG 3.32Å; F608-S611 WeakPolarHBondContact CA-OG 3.28Å; F608-S611 PolarHBondContact O-N 3.39Å; F608-S611 VanDerWaalsContact O-N 3.08Å; F608-S611 PolarHBondContact O-OG 3.33Å; S611-V613 PolarHBondContact O-N 3.28Å; S611-A614 VanDerWaalsContact O-CB 3.26Å; S611-A614 WeakPolarHBondContact O-CB 3.33Å; S611-A614 PolarHBondContact O-N 3.4Å; S611-A614 VanDerWaalsContact O-N 3.08Å; S611-W833 VanDerWaalsContact CB-CE2 3.47Å; S611-W833 VanDerWaalsContact CB-NE1 3.33Å
612A95.6Very high93Very high2 Ų215.2 Ų15.22%0.0177%0.074CC..Hα-helixtrans-60.5-29.2-179.700000112.2Y582 F608 V610Y582-A612 HydrophobicContact CD1-CB 3.92Å; Y582-A612 WeakPolarHBondContact CD1-O 3.37Å; Y582-A612 HydrophobicContact CG-CB 4.06Å; F608-A612 WeakPolarHBondContact O-CB 3.28Å; F608-A612 PolarHBondContact O-N 3.36Å; V610-A612 VanDerWaalsContact C-N 3.31Å; V610-A612 PolarHBondContact O-N 2.92Å
613V93.7Very high92.6Very high6 Ų616 Ų164%0.0368%0.079CC..THydrogen-bonded Turntrans-103.37.8179.6-59.60000113.2Y582 V610 S611 Q616 P707 Q723 F742Y582-V613 HydrophobicContact CE1-CG1 4.29Å; V610-V613 VanDerWaalsContact O-CG2 3.31Å; V610-V613 WeakPolarHBondContact O-CG2 3.21Å; V610-V613 PolarHBondContact O-N 3.06Å; S611-V613 PolarHBondContact O-N 3.28Å; V613-Q616 VanDerWaalsContact O-CG 3.24Å; V613-Q616 WeakPolarHBondContact O-CG 3.33Å; V613-P707 HydrophobicContact CG2-CG 4.37Å; V613-Q723 PolarHBondContact O-NE2 3.24Å; V613-F742 HydrophobicContact CG2-CE1 4.12Å; V613-F742 HydrophobicContact CG2-CZ 4.3Å
614A93.2Very high92.4Very high0 Ų014.7 Ų14.70%07%0.073CC..G310 helixtrans-73.3-34-175.200000113.8S611 Q616 W774 W833 I835S611-A614 VanDerWaalsContact O-CB 3.26Å; S611-A614 WeakPolarHBondContact O-CB 3.33Å; S611-A614 PolarHBondContact O-N 3.4Å; S611-A614 VanDerWaalsContact O-N 3.08Å; A614-Q616 PolarHBondContact O-N 2.96Å; A614-W774 VanDerWaalsContact CB-O 3.26Å; A614-W774 WeakPolarHBondContact CB-O 3.29Å; A614-W833 HydrophobicContact CB-CH2 3.52Å; A614-W833 HydrophobicContact CB-CZ2 3.5Å; A614-I835 HydrophobicContact CB-CD1 4.02Å; A614-I835 HydrophobicContact CB-CG1 4.45Å
615S92.6Very high92.1Very high1 Ų118.3 Ų18.31%0.0079%0.092CC..G310 helixtrans-64.7-14.3-17574.60000113.8E581 W617 R619 R838E581-S615 VanDerWaalsContact OE2-CB 3.3Å; E581-S615 WeakPolarHBondContact OE2-CB 3.12Å; E581-S615 PolarHBondContact OE2-OG 3.36Å; S615-W617 VanDerWaalsContact C-N 3.27Å; S615-W617 PolarHBondContact O-N 3.28Å; S615-R619 VanDerWaalsContact O-CG 3.23Å; S615-R619 WeakPolarHBondContact O-CG 3.34Å; S615-R838 PolarHBondContact O-NH2 2.88Å
616Q87.3Confident91.9Very high27 Ų2718.5 Ų18.513%0.1269%0.094CC..G310 helixtrans-69-20-174.9-50.1-59.8-55.900113.7V613 A614 E618 R619 I721 W774V613-Q616 VanDerWaalsContact O-CG 3.24Å; V613-Q616 WeakPolarHBondContact O-CG 3.33Å; A614-Q616 PolarHBondContact O-N 2.96Å; Q616-E618 PolarHBondContact O-N 2.89Å; Q616-R619 WeakPolarHBondContact O-CB 3.15Å; Q616-R619 PolarHBondContact O-N 3.17Å; Q616-R619 VanDerWaalsContact O-N 3.12Å; Q616-I721 VanDerWaalsContact O-CD1 3.29Å; Q616-I721 WeakPolarHBondContact O-CD1 3.27Å; Q616-W774 HydrophobicContact CB-CZ3 4.5Å
617W85.8Confident91.8Very high49 Ų4918.7 Ų18.719%0.18610%0.095CC..THydrogen-bonded Turntrans-55.3132.7-179.6-179.9-124.1000111.4S615 R619 H753 W774 T775 M817 R838S615-W617 VanDerWaalsContact C-N 3.27Å; S615-W617 PolarHBondContact O-N 3.28Å; W617-R619 PolarHBondContact O-N 3.48Å; W617-H753 AromaticContact CE3-CE1 3.57Å; W617-H753 AromaticContact CE3-NE2 3.72Å; W617-H753 AromaticContact CH2-CE1 3.48Å; W617-H753 VanDerWaalsContact CH2-CE1 3.48Å; W617-H753 WeakPolarHBondContact CH2-CE1 3.27Å; W617-H753 AromaticContact CH2-NE2 3.98Å; W617-H753 AromaticContact CZ3-CE1 3.18Å; W617-H753 WeakPolarHBondContact CZ3-CE1 3.22Å; W617-H753 AromaticContact CZ3-NE2 3.3Å; W617-H753 VanDerWaalsContact CZ3-NE2 3.3Å; W617-H753 WeakPolarHBondContact CZ3-NE2 3.33Å; W617-W774 HydrophobicContact CB-CH2 4.2Å; W617-W774 HydrophobicContact CB-CZ3 3.98Å; W617-W774 HydrophobicContact CE3-CH2 4.24Å; W617-T775 HydrophobicContact CB-CG2 3.97Å; W617-T775 HydrophobicContact CD2-CG2 3.97Å; W617-T775 HydrophobicContact CE3-CG2 4.17Å; W617-T775 HydrophobicContact CG-CG2 3.86Å; W617-M817 HydrophobicContact CH2-SD 3.83Å; W617-R838 PolarHBondContact O-NH1 3.39Å; W617-R838 PolarHBondContact O-NH2 3.05Å
618E83.1Confident91.7Very high79 Ų7919.8 Ų19.837%0.36910%0.1SC..THydrogen-bonded Turntrans56.41.5-176.2-42.1170.7137.200117Q616 T620 R838 N847Q616-E618 PolarHBondContact O-N 2.89Å; E618-T620 VanDerWaalsContact C-N 3.25Å; E618-T620 PolarHBondContact O-N 3.41Å; E618-R838 IonicContact OE2-CZ 3.43Å; E618-R838 IonicContact OE2-NH1 3.8Å; E618-R838 PolarHBondContact OE2-NH1 3.38Å; E618-N847 HydrophobicContact CB-CB 4.3Å; E618-N847 PolarHBondContact O-ND2 2.89Å
619R87.9Confident91.6Very high3 Ų319.9 Ų19.91%0.01110%0.101CC..  trans-84.165.7176.7-74.5-78.4-66.8-76.73.2110.7E571 E581 S615 Q616 W617 G621 I721 Y846 N847 F848E571-R619 VanDerWaalsContact CD-NH2 3.28Å; E571-R619 IonicContact OE1-CZ 3.28Å; E571-R619 IonicContact OE1-NE 3.99Å; E571-R619 IonicContact OE1-NH2 2.93Å; E571-R619 PolarHBondContact OE1-NH2 3.02Å; E571-R619 IonicContact OE2-CZ 2.66Å; E571-R619 IonicContact OE2-NE 3.58Å; E571-R619 PolarHBondContact OE2-NE 2.94Å; E571-R619 IonicContact OE2-NH2 2.8Å; E571-R619 PolarHBondContact OE2-NH2 3.37Å; E581-R619 IonicContact OE1-CZ 2.82Å; E581-R619 IonicContact OE1-NH1 3.95Å; E581-R619 PolarHBondContact OE1-NH1 3.42Å; E581-R619 VanDerWaalsContact OE1-NH1 3.12Å; E581-R619 IonicContact OE1-NH2 3.21Å; E581-R619 PolarHBondContact OE1-NH2 2.97Å; E581-R619 IonicContact OE2-CZ 3.95Å; E581-R619 IonicContact OE2-NH1 2.79Å; E581-R619 PolarHBondContact OE2-NH1 2.87Å; E581-R619 IonicContact OE2-NH2 3.37Å; S615-R619 VanDerWaalsContact O-CG 3.23Å; S615-R619 WeakPolarHBondContact O-CG 3.34Å; Q616-R619 WeakPolarHBondContact O-CB 3.15Å; Q616-R619 PolarHBondContact O-N 3.17Å; Q616-R619 VanDerWaalsContact O-N 3.12Å; W617-R619 PolarHBondContact O-N 3.48Å; R619-G621 PolarHBondContact O-N 3.37Å; R619-I721 VanDerWaalsContact O-CD1 3.27Å; R619-I721 WeakPolarHBondContact O-CD1 3.4Å; R619-Y846 WeakPolarHBondContact CD-O 3.11Å; R619-N847 VanDerWaalsContact CD-O 3.31Å; R619-N847 WeakPolarHBondContact CD-O 2.9Å; R619-F848 VanDerWaalsContact CZ-CD1 3.49Å
620T82.2Confident91.6Very high37 Ų3719.7 Ų19.723%0.22710%0.099CC..  trans-77-6.4-17757.50000114R543 E618 L719 I721R543-T620 PolarHBondContact NH1-OG1 2.97Å; E618-T620 VanDerWaalsContact C-N 3.25Å; E618-T620 PolarHBondContact O-N 3.41Å; T620-L719 HydrophobicContact CG2-CB 3.68Å; T620-I721 HydrophobicContact CG2-CD1 4.39Å; T620-I721 HydrophobicContact CG2-CG1 4.46Å
621G82.9Confident91.7Very high5 Ų519.7 Ų19.75%0.05210%0.1CC..SBendtrans-70.8136.6172.300000111.7R578 R619R578-G621 PolarHBondContact NH2-O 3.05Å; R619-G621 PolarHBondContact O-N 3.37Å
622K85.2Confident91.8Very high70 Ų7019.7 Ų19.730%0.30410%0.099SC..EExtended strand (participates in β ladder)trans-78.6124.8174.1-170.3-166.5167.4-175.20109.2F569 N570 E571 N625F569-K622 PolarHBondContact O-N 2.88Å; N570-K622 CarbonylContact C-O 3.4Å; N570-K622 WeakPolarHBondContact CA-O 3.3Å; N570-K622 WeakPolarHBondContact CB-O 3.44Å; N570-K622 PolarHBondContact ND2-O 3.28Å; E571-K622 PolarHBondContact N-O 3.43Å; K622-N625 WeakPolarHBondContact CE-OD1 3.47Å; K622-N625 PolarHBondContact NZ-ND2 2.8Å; K622-N625 PolarHBondContact NZ-OD1 3.49Å
623P91.9Very high91.9Very high17 Ų1720 Ų2011%0.1110%0.101CC..EExtended strand (participates in β ladder)trans-62155.4169.926.4-33.1000110.8N570 L573 F575 R578 N625N570-P623 PolarHBondContact ND2-O 3.14Å; L573-P623 CarbonylContact O-C 3.54Å; L573-P623 VanDerWaalsContact O-CA 3.28Å; L573-P623 WeakPolarHBondContact O-CA 3.22Å; L573-P623 WeakPolarHBondContact O-CB 3.41Å; F575-P623 HydrophobicContact CB-CB 4.36Å; F575-P623 HydrophobicContact CB-CG 4.28Å; F575-P623 HydrophobicContact CD2-CG 3.81Å; R578-P623 HydrophobicContact CB-CB 4.2Å; R578-P623 HydrophobicContact CB-CG 4.22Å; R578-P623 HydrophobicContact CG-CG 4.34Å; P623-N625 PolarHBondContact O-N 2.96Å
624F92.9Very high92.1Very high0 Ų020.1 Ų20.10%010%0.101CC..EExtended strand (participates in β ladder)trans-62.2135.5175-78.9-107.5000109.9V567 N570 E571 L573 F575 P626 D876 I877 M880 K892V567-F624 HydrophobicContact CG1-CZ 4.11Å; N570-F624 HydrophobicContact CB-CD2 3.9Å; N570-F624 HydrophobicContact CB-CE2 3.52Å; N570-F624 HydrophobicContact CB-CZ 3.96Å; E571-F624 VanDerWaalsContact O-CD2 3.24Å; E571-F624 WeakPolarHBondContact O-CD2 3.44Å; E571-F624 VanDerWaalsContact O-CE2 3.28Å; E571-F624 WeakPolarHBondContact O-CE2 3.38Å; L573-F624 PolarHBondContact O-N 2.68Å; F575-F624 PolarHBondContact N-O 3.45Å; F624-P626 VanDerWaalsContact O-CD 3.3Å; F624-P626 WeakPolarHBondContact O-CD 3.46Å; F624-D876 WeakPolarHBondContact CD1-OD2 3.45Å; F624-D876 HydrophobicContact CE1-CB 4.13Å; F624-D876 WeakPolarHBondContact CE1-OD2 3.45Å; F624-I877 HydrophobicContact CB-CD1 3.91Å; F624-I877 HydrophobicContact CB-CG1 4.11Å; F624-I877 HydrophobicContact CD1-CG1 4Å; F624-I877 HydrophobicContact CD2-CD1 4.28Å; F624-I877 HydrophobicContact CD2-CG1 3.8Å; F624-I877 HydrophobicContact CE1-CG1 4.32Å; F624-I877 HydrophobicContact CE2-CG1 4.12Å; F624-I877 HydrophobicContact CG-CD1 4.09Å; F624-I877 HydrophobicContact CG-CG1 3.72Å; F624-I877 HydrophobicContact CZ-CG1 4.38Å; F624-M880 HydrophobicContact CE2-SD 3.44Å; F624-M880 WeakPolarHBondContact CE2-SD 3.27Å; F624-M880 HydrophobicContact CZ-CB 4.3Å; F624-M880 HydrophobicContact CZ-SD 3.61Å; F624-K892 HydrophobicContact CD1-CD 4.42Å; F624-K892 HydrophobicContact CE1-CD 4.01Å
625N91.6Very high92.2Very high82 Ų8223 Ų2344%0.43912%0.119SC..PPolyproline II helixtrans-65.6120.8171.7-76.31.3000107.8K622 P623 R874K622-N625 WeakPolarHBondContact CE-OD1 3.47Å; K622-N625 PolarHBondContact NZ-ND2 2.8Å; K622-N625 PolarHBondContact NZ-OD1 3.49Å; P623-N625 PolarHBondContact O-N 2.96Å; N625-R874 PolarHBondContact O-NH1 3.32Å
626P95.8Very high92.4Very high5 Ų524.1 Ų24.13%0.03212%0.122CC..PPolyproline II helixtrans-64.8144.9179.7-19.532.6000110.8F575 L576 F624 E630 Q647F575-P626 HydrophobicContact CB-CG 3.72Å; L576-P626 HydrophobicContact CD1-CB 4.33Å; L576-P626 HydrophobicContact CD2-CB 4.37Å; L576-P626 HydrophobicContact CD2-CG 4.04Å; L576-P626 HydrophobicContact CG-CB 4Å; L576-P626 HydrophobicContact CG-CG 3.79Å; F624-P626 VanDerWaalsContact O-CD 3.3Å; F624-P626 WeakPolarHBondContact O-CD 3.46Å; P626-E630 HydrophobicContact CB-CB 4.19Å; P626-E630 HydrophobicContact CB-CG 4.35Å; P626-Q647 HydrophobicContact CB-CB 3.82Å; P626-Q647 HydrophobicContact CB-CG 3.88Å
627L96Very high92.7Very high4 Ų429 Ų292%0.02115%0.149CC..PPolyproline II helixtrans-72.2152.3171.2-56.8176.4000109.9G629 E630 Q647 L895 Q899 I948 Y949L627-G629 PolarHBondContact O-N 3.18Å; L627-E630 HydrophobicContact CB-CB 4.29Å; L627-E630 PolarHBondContact N-OE2 3.36Å; L627-E630 WeakPolarHBondContact O-CB 3.49Å; L627-E630 PolarHBondContact O-N 3.33Å; L627-Q647 WeakPolarHBondContact O-CB 3.4Å; L627-Q647 WeakPolarHBondContact O-CG 3.28Å; L627-L895 HydrophobicContact CD1-CB 4.14Å; L627-L895 HydrophobicContact CD1-CD1 4.49Å; L627-L895 HydrophobicContact CD1-CD2 4.26Å; L627-L895 HydrophobicContact CD2-CB 4.5Å; L627-Q899 VanDerWaalsContact CA-OE1 3.25Å; L627-Q899 HydrophobicContact CD2-CB 4.38Å; L627-I948 HydrophobicContact CB-CD1 4.44Å; L627-I948 HydrophobicContact CD1-CB 4.23Å; L627-I948 WeakPolarHBondContact CD1-O 3.4Å; L627-Y949 HydrophobicContact CD1-CD1 4Å; L627-Y949 HydrophobicContact CD1-CE1 3.95Å
628L96.6Very high93Very high23 Ų2331.3 Ų31.312%0.1217%0.166CC..THydrogen-bonded Turntrans-60.9123.1174.8-176.368.1000110.1E630 H650 W913L628-E630 VanDerWaalsContact C-N 3.31Å; L628-H650 HydrophobicContact CB-CB 4.34Å; L628-H650 HydrophobicContact CD1-CB 4.39Å; L628-W913 HydrophobicContact CD2-CB 4.39Å; L628-W913 HydrophobicContact CD2-CD2 3.63Å; L628-W913 HydrophobicContact CD2-CE3 4.09Å; L628-W913 HydrophobicContact CD2-CG 3.75Å; L628-W913 HydrophobicContact CD2-CZ2 4.43Å; L628-W913 HydrophobicContact CG-CD2 3.96Å; L628-W913 HydrophobicContact CG-CG 4.29Å; L628-W913 HydrophobicContact CG-CH2 4.43Å; L628-W913 HydrophobicContact CG-CZ2 3.89Å
629G96.7Very high93.6Very high2 Ų229.4 Ų29.42%0.02116%0.158CC..THydrogen-bonded Turntrans82.13.3-173.400000115.1L627 Q647L627-G629 PolarHBondContact O-N 3.18Å; G629-Q647 PolarHBondContact N-O 2.92Å
630E98.6Very high94Very high0 Ų029.9 Ų29.90%016%0.163CC..  trans-61.2138.2165.9-175.5170.413000109.7S574 L576 P626 L627 L628 E646 Q647 C871 R874 I948 Y949S574-E630 WeakPolarHBondContact CB-OE1 3.36Å; S574-E630 PolarHBondContact OG-OE1 3Å; L576-E630 HydrophobicContact CD1-CB 4.35Å; L576-E630 HydrophobicContact CD1-CG 3.99Å; L576-E630 WeakPolarHBondContact CD1-O 3.49Å; P626-E630 HydrophobicContact CB-CB 4.19Å; P626-E630 HydrophobicContact CB-CG 4.35Å; L627-E630 HydrophobicContact CB-CB 4.29Å; L627-E630 PolarHBondContact N-OE2 3.36Å; L627-E630 WeakPolarHBondContact O-CB 3.49Å; L627-E630 PolarHBondContact O-N 3.33Å; L628-E630 VanDerWaalsContact C-N 3.31Å; E630-E646 CarbonylContact O-C 3.25Å; E630-E646 WeakPolarHBondContact O-CA 3.48Å; E630-Q647 HydrophobicContact CB-CB 4.42Å; E630-Q647 PolarHBondContact O-N 2.87Å; E630-C871 HydrophobicContact CG-CB 3.99Å; E630-C871 VanDerWaalsContact OE1-CB 3.28Å; E630-C871 WeakPolarHBondContact OE1-CB 3.33Å; E630-R874 IonicContact OE1-NH1 2.82Å; E630-R874 WeakPolarHBondContact OE2-CD 3.32Å; E630-R874 IonicContact OE2-CZ 3.38Å; E630-R874 IonicContact OE2-NE 2.73Å; E630-R874 IonicContact OE2-NH1 3.45Å; E630-R874 PolarHBondContact OE2-NH1 3.28Å; E630-I948 VanDerWaalsContact CA-CD1 3.44Å; E630-I948 HydrophobicContact CB-CD1 3.88Å; E630-I948 HydrophobicContact CG-CD1 4.46Å; E630-Y949 WeakPolarHBondContact CG-OH 3.3Å
631T98.6Very high94.8Very high1 Ų128.1 Ų28.11%0.00615%0.152CC..EExtended strand (participates in β ladder)trans-120159.9177.356.50000110.5S645 E646 T869 D870 C871T631-S645 CarbonylContact C-O 3.57Å; T631-S645 WeakPolarHBondContact CA-O 3.39Å; T631-E646 HydrophobicContact CG2-CB 4.32Å; T631-E646 HydrophobicContact CG2-CG 4.17Å; T631-T869 PolarHBondContact N-O 3.1Å; T631-T869 WeakPolarHBondContact OG1-CB 3.46Å; T631-T869 PolarHBondContact OG1-O 3.12Å; T631-T869 PolarHBondContact OG1-OG1 2.75Å; T631-D870 CarbonylContact O-C 3.59Å; T631-D870 VanDerWaalsContact O-CA 3.27Å; T631-D870 WeakPolarHBondContact O-CA 3.21Å; T631-D870 PolarHBondContact OG1-N 2.83Å; T631-C871 PolarHBondContact O-N 3.06Å
632Y98.8Very high95.5Very high0 Ų032 Ų320%017%0.165CC..EExtended strand (participates in β ladder)trans-146.4130.1166.5175.6-109.4000110.2Q577 T580 L634 I644 S645 L855 D870 C871 R872Q577-Y632 HydrophobicContact CB-CE1 4.46Å; Q577-Y632 HydrophobicContact CG-CD1 3.94Å; Q577-Y632 HydrophobicContact CG-CD2 3.61Å; Q577-Y632 HydrophobicContact CG-CE1 3.81Å; Q577-Y632 HydrophobicContact CG-CE2 3.42Å; Q577-Y632 VanDerWaalsContact CG-CE2 3.42Å; Q577-Y632 HydrophobicContact CG-CG 3.84Å; T580-Y632 HydrophobicContact CG2-CE1 3.86Å; T580-Y632 VanDerWaalsContact OG1-CD1 3.31Å; T580-Y632 WeakPolarHBondContact OG1-CD1 3.36Å; T580-Y632 VanDerWaalsContact OG1-CE1 3.27Å; T580-Y632 WeakPolarHBondContact OG1-CE1 3.34Å; Y632-L634 HydrophobicContact CE1-CB 4.04Å; Y632-I644 CarbonylContact O-C 3.56Å; Y632-I644 WeakPolarHBondContact O-CD1 3.45Å; Y632-S645 PolarHBondContact N-O 3.26Å; Y632-S645 PolarHBondContact O-N 3.18Å; Y632-S645 PolarHBondContact O-OG 3.17Å; Y632-S645 VanDerWaalsContact O-OG 3.12Å; Y632-L855 HydrophobicContact CE1-CD2 4.45Å; Y632-L855 VanDerWaalsContact CE2-O 3.27Å; Y632-L855 WeakPolarHBondContact CE2-O 3.24Å; Y632-L855 VanDerWaalsContact OH-CA 3.31Å; Y632-L855 WeakPolarHBondContact OH-CA 3.27Å; Y632-L855 WeakPolarHBondContact OH-CB 3.45Å; Y632-L855 VanDerWaalsContact OH-CD2 3.28Å; Y632-L855 WeakPolarHBondContact OH-CD2 3.47Å; Y632-L855 PolarHBondContact OH-O 3.07Å; Y632-D870 WeakPolarHBondContact CA-OD2 3.24Å; Y632-C871 WeakPolarHBondContact CD2-SG 3.48Å; Y632-R872 VanDerWaalsContact CE2-NH2 3.33Å; Y632-R872 PolarHBondContact OH-NH2 2.82Å
633E98.3Very high96.1Very high10 Ų1028.7 Ų28.75%0.04715%0.151CC..EExtended strand (participates in β ladder)trans-112.4152.1170.266.9170.4169.400113.8L643 I644 I866 D870 R872 Y937 W938 R940E633-L643 CarbonylContact C-O 3.48Å; E633-L643 VanDerWaalsContact CA-O 3.24Å; E633-L643 WeakPolarHBondContact CA-O 3.4Å; E633-I644 HydrophobicContact CB-CD1 4.39Å; E633-I866 HydrophobicContact CG-CG2 4.22Å; E633-I866 WeakPolarHBondContact OE1-CG2 3.41Å; E633-D870 PolarHBondContact N-OD2 3.06Å; E633-R872 VanDerWaalsContact O-CZ 3.24Å; E633-R872 PolarHBondContact O-NH1 3.42Å; E633-R872 PolarHBondContact O-NH2 3.14Å; E633-Y937 HydrophobicContact CB-CE1 3.91Å; E633-Y937 HydrophobicContact CG-CE1 4.43Å; E633-Y937 WeakPolarHBondContact OE2-CE1 3.46Å; E633-W938 HydrophobicContact CB-CH2 4.08Å; E633-W938 HydrophobicContact CB-CZ3 4.41Å; E633-W938 WeakPolarHBondContact OE2-CZ3 3.41Å; E633-R940 IonicContact OE1-CZ 2.85Å; E633-R940 IonicContact OE1-NH1 2.7Å; E633-R940 PolarHBondContact OE1-NH1 2.75Å; E633-R940 IonicContact OE1-NH2 3.77Å; E633-R940 PolarHBondContact OE1-NH2 3.31Å; E633-R940 IonicContact OE2-CZ 3.47Å; E633-R940 IonicContact OE2-NH1 3.82Å; E633-R940 PolarHBondContact OE2-NH1 3.41Å; E633-R940 IonicContact OE2-NH2 3.77Å; E633-R940 PolarHBondContact OE2-NH2 3.44Å
634L97.9Very high96.4Very high8 Ų827.9 Ų27.94%0.04215%0.146CC..EExtended strand (participates in β ladder)trans-142.6127.6169.1-179.365.9000109.7T580 Y632 R636 F641 R642 L643 F851 L855T580-L634 HydrophobicContact CG2-CB 4.02Å; T580-L634 HydrophobicContact CG2-CD2 3.4Å; T580-L634 HydrophobicContact CG2-CG 4.35Å; Y632-L634 HydrophobicContact CE1-CB 4.04Å; L634-R636 HydrophobicContact CD1-CG 4.1Å; L634-R636 HydrophobicContact CD2-CG 3.99Å; L634-R636 HydrophobicContact CG-CG 3.92Å; L634-F641 HydrophobicContact CD2-CE2 4.16Å; L634-F641 HydrophobicContact CD2-CZ 3.93Å; L634-R642 CarbonylContact O-C 3.6Å; L634-R642 VanDerWaalsContact O-CA 3.31Å; L634-R642 WeakPolarHBondContact O-CA 3.48Å; L634-L643 PolarHBondContact N-O 3.27Å; L634-L643 PolarHBondContact O-N 2.82Å; L634-F851 HydrophobicContact CD2-CE1 4.4Å; L634-F851 HydrophobicContact CD2-CE2 4.43Å; L634-F851 HydrophobicContact CD2-CZ 3.75Å; L634-L855 HydrophobicContact CD2-CD2 3.81Å
635V96.6Very high96.7Very high61 Ų6127.9 Ų27.937%0.3715%0.146SC..EExtended strand (participates in β ladder)trans-115.4125.9169.2-175.50000107.7R642 W938V635-R642 HydrophobicContact CG1-CB 4.47Å; V635-R642 HydrophobicContact CG2-CB 4.04Å; V635-W938 HydrophobicContact CG2-CH2 3.92Å; V635-W938 HydrophobicContact CG2-CZ3 3.62Å
636R95.6Very high97Very high23 Ų2324 Ų249%0.08713%0.125CC..EExtended strand (participates in β ladder)trans-127.889.6177.9-73.3-65.6-61.7-86.7-1.3108.9L634 D638 L639 G640 F641L634-R636 HydrophobicContact CD1-CG 4.1Å; L634-R636 HydrophobicContact CD2-CG 3.99Å; L634-R636 HydrophobicContact CG-CG 3.92Å; R636-D638 IonicContact CZ-OD1 3.64Å; R636-D638 IonicContact CZ-OD2 2.72Å; R636-D638 IonicContact NE-OD1 3.42Å; R636-D638 PolarHBondContact NE-OD1 3.45Å; R636-D638 IonicContact NE-OD2 2.8Å; R636-D638 IonicContact NH2-OD1 3.24Å; R636-D638 PolarHBondContact NH2-OD1 3.48Å; R636-D638 IonicContact NH2-OD2 2.8Å; R636-D638 PolarHBondContact NH2-OD2 3.5Å; R636-D638 PolarHBondContact O-N 3.46Å; R636-L639 HydrophobicContact CB-CB 3.92Å; R636-L639 HydrophobicContact CB-CD1 4.32Å; R636-L639 HydrophobicContact CB-CG 4.27Å; R636-L639 HydrophobicContact CG-CD1 4.4Å; R636-L639 CarbonylContact O-C 3.57Å; R636-L639 PolarHBondContact O-N 2.88Å; R636-L639 VanDerWaalsContact O-N 3.14Å; R636-G640 PolarHBondContact O-N 3.39Å; R636-F641 HydrophobicContact CB-CD1 4.15Å; R636-F641 HydrophobicContact CB-CE1 3.74Å; R636-F641 HydrophobicContact CB-CZ 4.05Å; R636-F641 HydrophobicContact CG-CE1 4.08Å; R636-F641 HydrophobicContact CG-CZ 3.97Å; R636-F641 PolarHBondContact N-O 2.67Å; R636-F641 PolarHBondContact O-N 3.06Å
637D94.1Very high97.1Very high130 Ų13023.9 Ų23.970%0.69512%0.124SC*.G310 helixtrans-60.7-36.3178.6-60.8-49.4000111.8L639 G640 L662D637-L639 VanDerWaalsContact C-N 3.3Å; D637-L639 PolarHBondContact O-N 3.38Å; D637-G640 PolarHBondContact O-N 3.2Å; D637-L662 WeakPolarHBondContact OD1-CD1 3.34Å
638D92.8Very high97.2Very high98 Ų9823.9 Ų23.952%0.52412%0.124SC..G310 helixtrans-68.4-27.3177.768.2-50.2000113.4R636R636-D638 IonicContact CZ-OD1 3.64Å; R636-D638 IonicContact CZ-OD2 2.72Å; R636-D638 IonicContact NE-OD1 3.42Å; R636-D638 PolarHBondContact NE-OD1 3.45Å; R636-D638 IonicContact NE-OD2 2.8Å; R636-D638 IonicContact NH2-OD1 3.24Å; R636-D638 PolarHBondContact NH2-OD1 3.48Å; R636-D638 IonicContact NH2-OD2 2.8Å; R636-D638 PolarHBondContact NH2-OD2 3.5Å; R636-D638 PolarHBondContact O-N 3.46Å
639L94.6Very high97.1Very high39 Ų3924 Ų2420%0.20413%0.127CC..G310 helixtrans-101.8-0.6175.2-59.3-179.7000113.2H590 R636 D637 F641 F851H590-L639 PolarHBondContact NE2-O 3.48Å; R636-L639 HydrophobicContact CB-CB 3.92Å; R636-L639 HydrophobicContact CB-CD1 4.32Å; R636-L639 HydrophobicContact CB-CG 4.27Å; R636-L639 HydrophobicContact CG-CD1 4.4Å; R636-L639 CarbonylContact O-C 3.57Å; R636-L639 PolarHBondContact O-N 2.88Å; R636-L639 VanDerWaalsContact O-N 3.14Å; D637-L639 VanDerWaalsContact C-N 3.3Å; D637-L639 PolarHBondContact O-N 3.38Å; L639-F641 HydrophobicContact CB-CD1 3.78Å; L639-F641 HydrophobicContact CB-CE1 3.73Å; L639-F641 HydrophobicContact CD1-CE1 3.88Å; L639-F641 HydrophobicContact CG-CE1 4.47Å; L639-F851 HydrophobicContact CD1-CD2 4.12Å; L639-F851 HydrophobicContact CD1-CE2 3.79Å
640G96.3Very high96.6Very high12 Ų1226.3 Ų26.312%0.12414%0.137CC..THydrogen-bonded Turntrans71.727.5173.800000116.2R636 D637 G661 L662R636-G640 PolarHBondContact O-N 3.39Å; D637-G640 PolarHBondContact O-N 3.2Å; G640-G661 CarbonylContact O-C 3.55Å; G640-G661 WeakPolarHBondContact O-CA 3.45Å; G640-L662 PolarHBondContact O-N 3.36Å
641F98.3Very high95.8Very high0 Ų031.5 Ų31.50%016%0.161CC..EExtended strand (participates in β ladder)trans-141.7161.1178.178.7-87.7000114.7M583 T586 L634 R636 L639 L643 E660 F666 F851M583-F641 HydrophobicContact CB-CD2 4.32Å; M583-F641 HydrophobicContact CB-CE1 3.92Å; M583-F641 HydrophobicContact CB-CE2 3.64Å; M583-F641 HydrophobicContact CB-CZ 3.41Å; M583-F641 VanDerWaalsContact CB-CZ 3.41Å; M583-F641 HydrophobicContact CE-CD2 4.33Å; M583-F641 HydrophobicContact CE-CG 4.42Å; M583-F641 HydrophobicContact CG-CD2 4.38Å; M583-F641 HydrophobicContact CG-CE2 3.93Å; M583-F641 HydrophobicContact CG-CZ 4.24Å; T586-F641 HydrophobicContact CG2-CB 4.29Å; T586-F641 HydrophobicContact CG2-CD1 3.98Å; T586-F641 HydrophobicContact CG2-CG 4.39Å; L634-F641 HydrophobicContact CD2-CE2 4.16Å; L634-F641 HydrophobicContact CD2-CZ 3.93Å; R636-F641 HydrophobicContact CB-CD1 4.15Å; R636-F641 HydrophobicContact CB-CE1 3.74Å; R636-F641 HydrophobicContact CB-CZ 4.05Å; R636-F641 HydrophobicContact CG-CE1 4.08Å; R636-F641 HydrophobicContact CG-CZ 3.97Å; R636-F641 PolarHBondContact N-O 2.67Å; R636-F641 PolarHBondContact O-N 3.06Å; L639-F641 HydrophobicContact CB-CD1 3.78Å; L639-F641 HydrophobicContact CB-CE1 3.73Å; L639-F641 HydrophobicContact CD1-CE1 3.88Å; L639-F641 HydrophobicContact CG-CE1 4.47Å; F641-L643 HydrophobicContact CD2-CB 4.28Å; F641-L643 HydrophobicContact CE2-CB 4.13Å; F641-E660 WeakPolarHBondContact CA-O 3.49Å; F641-F666 HydrophobicContact CB-CE1 4.43Å; F641-F666 HydrophobicContact CB-CZ 3.88Å; F641-F851 HydrophobicContact CZ-CE2 4.31Å; F641-F851 HydrophobicContact CZ-CZ 4.18Å
642R98Very high95.3Very high87 Ų8734.1 Ų34.133%0.32818%0.178SC..EExtended strand (participates in β ladder)trans-126.5147.2163.967.2-176.4-174.6-174.1-0.8110.6L634 V635 A659 E660 L662 W938L634-R642 CarbonylContact O-C 3.6Å; L634-R642 VanDerWaalsContact O-CA 3.31Å; L634-R642 WeakPolarHBondContact O-CA 3.48Å; V635-R642 HydrophobicContact CG1-CB 4.47Å; V635-R642 HydrophobicContact CG2-CB 4.04Å; R642-A659 CarbonylContact O-C 3.45Å; R642-A659 WeakPolarHBondContact O-CA 3.49Å; R642-E660 HydrophobicContact CG-CB 4.28Å; R642-E660 IonicContact CZ-OE2 2.8Å; R642-E660 PolarHBondContact N-O 3.44Å; R642-E660 IonicContact NE-OE2 3.71Å; R642-E660 PolarHBondContact NE-OE2 2.99Å; R642-E660 IonicContact NH2-OE2 3.9Å; R642-E660 PolarHBondContact NH2-OE2 2.98Å; R642-E660 PolarHBondContact O-N 3.02Å; R642-L662 HydrophobicContact CB-CD2 4.1Å; R642-L662 HydrophobicContact CG-CD2 4.19Å; R642-W938 HydrophobicContact CB-CH2 3.73Å; R642-W938 HydrophobicContact CB-CZ2 3.72Å; R642-W938 HydrophobicContact CB-CZ3 4.34Å; R642-W938 HydrophobicContact CG-CH2 4.21Å; R642-W938 HydrophobicContact CG-CZ2 3.72Å
643L98.6Very high94.9Very high1 Ų136.6 Ų36.61%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-136.5139-179.4-179.6153.9000110.3T580 M583 E633 L634 F641 H658 A659 W938T580-L643 HydrophobicContact CG2-CD1 4.08Å; T580-L643 HydrophobicContact CG2-CD2 4.19Å; T580-L643 WeakPolarHBondContact OG1-CD2 3.18Å; M583-L643 HydrophobicContact CG-CD1 3.66Å; E633-L643 CarbonylContact C-O 3.48Å; E633-L643 VanDerWaalsContact CA-O 3.24Å; E633-L643 WeakPolarHBondContact CA-O 3.4Å; L634-L643 PolarHBondContact N-O 3.27Å; L634-L643 PolarHBondContact O-N 2.82Å; F641-L643 HydrophobicContact CD2-CB 4.28Å; F641-L643 HydrophobicContact CE2-CB 4.13Å; L643-H658 CarbonylContact C-O 3.54Å; L643-H658 WeakPolarHBondContact CA-O 3.4Å; L643-A659 HydrophobicContact CB-CB 3.9Å; L643-A659 HydrophobicContact CD1-CB 3.93Å; L643-A659 HydrophobicContact CG-CB 4.02Å; L643-W938 WeakPolarHBondContact O-CH2 3.43Å
644I98.6Very high94.8Very high0 Ų037.4 Ų37.40%020%0.199CC..EExtended strand (participates in β ladder)trans-124.3140.3167.5177.155.8000109.6Y632 E633 F657 H658 Y933 Y937 W938Y632-I644 CarbonylContact O-C 3.56Å; Y632-I644 WeakPolarHBondContact O-CD1 3.45Å; E633-I644 HydrophobicContact CB-CD1 4.39Å; I644-F657 CarbonylContact O-C 3.54Å; I644-F657 WeakPolarHBondContact O-CA 3.37Å; I644-H658 HydrophobicContact CG2-CB 4.2Å; I644-H658 PolarHBondContact N-O 2.81Å; I644-H658 PolarHBondContact O-N 2.87Å; I644-Y933 HydrophobicContact CG2-CD2 4.21Å; I644-Y933 HydrophobicContact CG2-CE2 3.94Å; I644-Y937 HydrophobicContact CB-CD1 4.01Å; I644-Y937 HydrophobicContact CB-CE1 4.25Å; I644-Y937 HydrophobicContact CB-CG 4.36Å; I644-Y937 HydrophobicContact CD1-CD1 3.86Å; I644-Y937 HydrophobicContact CD1-CD2 3.69Å; I644-Y937 HydrophobicContact CD1-CE1 3.5Å; I644-Y937 HydrophobicContact CD1-CE2 3.33Å; I644-Y937 HydrophobicContact CD1-CG 3.95Å; I644-Y937 HydrophobicContact CG1-CD1 3.77Å; I644-Y937 HydrophobicContact CG1-CD2 3.84Å; I644-Y937 HydrophobicContact CG1-CE1 3.95Å; I644-Y937 HydrophobicContact CG1-CE2 4.02Å; I644-Y937 HydrophobicContact CG1-CG 3.71Å; I644-W938 HydrophobicContact CB-CZ2 4.05Å; I644-W938 HydrophobicContact CG2-CZ2 4.31Å
645S98.6Very high94.8Very high0 Ų037.1 Ų37.10%020%0.197CC..EExtended strand (participates in β ladder)trans-136.5151.5171.856.30000112T631 Y632 A656T631-S645 CarbonylContact C-O 3.57Å; T631-S645 WeakPolarHBondContact CA-O 3.39Å; Y632-S645 PolarHBondContact N-O 3.26Å; Y632-S645 PolarHBondContact O-N 3.18Å; Y632-S645 PolarHBondContact O-OG 3.17Å; Y632-S645 VanDerWaalsContact O-OG 3.12Å; S645-A656 CarbonylContact C-O 3.52Å; S645-A656 WeakPolarHBondContact CA-O 3.2Å; S645-A656 WeakPolarHBondContact CB-O 3.34Å
646E98.6Very high94.9Very high1 Ų134.2 Ų34.21%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-138140178.6-174.8-179.4176.900110E630 T631 V648 A656 R916 W917 F918E630-E646 CarbonylContact O-C 3.25Å; E630-E646 WeakPolarHBondContact O-CA 3.48Å; T631-E646 HydrophobicContact CG2-CB 4.32Å; T631-E646 HydrophobicContact CG2-CG 4.17Å; E646-V648 HydrophobicContact CB-CG1 4.18Å; E646-V648 HydrophobicContact CG-CG1 4.23Å; E646-V648 PolarHBondContact O-N 2.87Å; E646-V648 VanDerWaalsContact O-N 3.11Å; E646-A656 PolarHBondContact N-O 2.93Å; E646-A656 PolarHBondContact O-N 3.21Å; E646-R916 PolarHBondContact OE1-N 2.85Å; E646-R916 PolarHBondContact OE2-N 2.84Å; E646-W917 WeakPolarHBondContact OE2-CB 3.36Å; E646-W917 PolarHBondContact OE2-N 3.36Å; E646-F918 HydrophobicContact CB-CD2 3.64Å; E646-F918 HydrophobicContact CB-CE2 3.75Å
647Q98.1Very high95Very high1 Ų133.2 Ų33.21%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-78.292.1165.9-169.768.920.200109.8P626 L627 G629 E630 S649 I654 S655P626-Q647 HydrophobicContact CB-CB 3.82Å; P626-Q647 HydrophobicContact CB-CG 3.88Å; L627-Q647 WeakPolarHBondContact O-CB 3.4Å; L627-Q647 WeakPolarHBondContact O-CG 3.28Å; G629-Q647 PolarHBondContact N-O 2.92Å; E630-Q647 HydrophobicContact CB-CB 4.42Å; E630-Q647 PolarHBondContact O-N 2.87Å; Q647-S649 PolarHBondContact NE2-O 3.36Å; Q647-I654 PolarHBondContact NE2-O 2.97Å; Q647-S655 PolarHBondContact OE1-OG 3.1Å
648V97Very high95.2Very high4 Ų427.8 Ų27.82%0.02415%0.147CC..EExtended strand (participates in β ladder)trans-79-24.2-173-66.40000113.6E646 I654 A656 T915 F918 W931E646-V648 HydrophobicContact CB-CG1 4.18Å; E646-V648 HydrophobicContact CG-CG1 4.23Å; E646-V648 PolarHBondContact O-N 2.87Å; E646-V648 VanDerWaalsContact O-N 3.11Å; V648-I654 HydrophobicContact CG2-CB 3.88Å; V648-I654 HydrophobicContact CG2-CG2 3.59Å; V648-I654 WeakPolarHBondContact CG2-O 3.43Å; V648-I654 PolarHBondContact N-O 2.9Å; V648-I654 VanDerWaalsContact N-O 3.1Å; V648-A656 HydrophobicContact CG1-CB 3.77Å; V648-A656 HydrophobicContact CG2-CB 4.11Å; V648-T915 HydrophobicContact CB-CG2 3.81Å; V648-T915 HydrophobicContact CG1-CG2 4.05Å; V648-T915 WeakPolarHBondContact O-CG2 3.48Å; V648-F918 HydrophobicContact CG1-CB 3.78Å; V648-F918 HydrophobicContact CG1-CD2 4.25Å; V648-F918 HydrophobicContact CG1-CG 4.2Å; V648-W931 HydrophobicContact CB-CD2 3.84Å; V648-W931 HydrophobicContact CB-CE3 3.83Å; V648-W931 HydrophobicContact CB-CH2 3.9Å; V648-W931 HydrophobicContact CB-CZ2 3.9Å; V648-W931 HydrophobicContact CB-CZ3 3.88Å; V648-W931 HydrophobicContact CG1-CD2 4.13Å; V648-W931 HydrophobicContact CG1-CE3 3.87Å; V648-W931 HydrophobicContact CG1-CZ3 4.2Å; V648-W931 HydrophobicContact CG2-CD2 3.59Å; V648-W931 VanDerWaalsContact CG2-CE2 3.47Å; V648-W931 HydrophobicContact CG2-CE3 4.13Å; V648-W931 HydrophobicContact CG2-CG 3.86Å; V648-W931 HydrophobicContact CG2-CH2 4.37Å; V648-W931 HydrophobicContact CG2-CZ2 3.86Å; V648-W931 HydrophobicContact CG2-CZ3 4.5Å
649S94.1Very high95.5Very high27 Ų2723.1 Ų23.119%0.18912%0.122CC..EExtended strand (participates in β ladder)trans-146.8152.4174.6-172.70000111.9Q647 P652 P653 I654Q647-S649 PolarHBondContact NE2-O 3.36Å; S649-P652 CarbonylContact C-O 3.6Å; S649-P652 VanDerWaalsContact CB-O 3.25Å; S649-P652 WeakPolarHBondContact CB-O 3.15Å; S649-P652 PolarHBondContact OG-O 3.34Å; S649-P653 WeakPolarHBondContact O-CA 3.29Å; S649-I654 PolarHBondContact N-O 3.16Å; S649-I654 PolarHBondContact O-N 3.19Å
650H86.4Confident95.7Very high49 Ų4922.7 Ų22.723%0.22712%0.119CC..EExtended strand (participates in β ladder)trans-112.8-21176.2-163.471.1000112.9L628 P652 Q899L628-H650 HydrophobicContact CB-CB 4.34Å; L628-H650 HydrophobicContact CD1-CB 4.39Å; H650-P652 VanDerWaalsContact C-C 3.41Å; H650-P652 CarbonylContact C-O 3.47Å; H650-P652 CarbonylContact O-C 3.51Å; H650-Q899 PolarHBondContact CE1-NE2 3.12Å; H650-Q899 PolarHBondContact NE2-NE2 3.44Å
651H82.1Confident95.8Very high110 Ų11022.4 Ų22.451%0.50912%0.115SC..THydrogen-bonded Turntrans-139.695.3176.7-64.2-66.4000110.4R903H651-R903 PolarHBondContact CD2-NH1 3.47Å; H651-R903 PolarHBondContact NE2-NH1 3.01Å
652P87.8Confident95.7Very high56 Ų5625.8 Ų25.836%0.36413%0.133SC..THydrogen-bonded Turncis-68.6157.5-6.230.1-35000112.7S649 H650 I654 Y673S649-P652 CarbonylContact C-O 3.6Å; S649-P652 VanDerWaalsContact CB-O 3.25Å; S649-P652 WeakPolarHBondContact CB-O 3.15Å; S649-P652 PolarHBondContact OG-O 3.34Å; H650-P652 VanDerWaalsContact C-C 3.41Å; H650-P652 CarbonylContact C-O 3.47Å; H650-P652 CarbonylContact O-C 3.51Å; P652-I654 HydrophobicContact CG-CD1 4.03Å; P652-I654 HydrophobicContact CG-CG1 4.28Å; P652-I654 PolarHBondContact O-N 3.05Å; P652-I654 VanDerWaalsContact O-N 3.17Å; P652-Y673 HydrophobicContact CB-CD1 4.34Å; P652-Y673 HydrophobicContact CB-CD2 3.94Å; P652-Y673 HydrophobicContact CB-CE1 4.05Å; P652-Y673 HydrophobicContact CB-CE2 3.67Å; P652-Y673 HydrophobicContact CB-CG 4.29Å
653P90.4Very high95.5Very high51 Ų5128.1 Ų28.133%0.33115%0.152SC..EExtended strand (participates in β ladder)trans-70.7109.1177.328.8-34.2000110.4S649 Y673S649-P653 WeakPolarHBondContact O-CA 3.29Å; P653-Y673 HydrophobicContact CG-CD2 4.16Å; P653-Y673 HydrophobicContact CG-CE2 4.13Å; P653-Y673 WeakPolarHBondContact O-CD2 3.38Å
654I96.2Very high95.4Very high28 Ų2833.2 Ų33.214%0.14418%0.179CC..EExtended strand (participates in β ladder)trans-119.9127.6178.8-59.4160000108.6Q647 V648 S649 P652Q647-I654 PolarHBondContact NE2-O 2.97Å; V648-I654 HydrophobicContact CG2-CB 3.88Å; V648-I654 HydrophobicContact CG2-CG2 3.59Å; V648-I654 WeakPolarHBondContact CG2-O 3.43Å; V648-I654 PolarHBondContact N-O 2.9Å; V648-I654 VanDerWaalsContact N-O 3.1Å; S649-I654 PolarHBondContact N-O 3.16Å; S649-I654 PolarHBondContact O-N 3.19Å; P652-I654 HydrophobicContact CG-CD1 4.03Å; P652-I654 HydrophobicContact CG-CG1 4.28Å; P652-I654 PolarHBondContact O-N 3.05Å; P652-I654 VanDerWaalsContact O-N 3.17Å
655S98.1Very high95.2Very high1 Ų133.6 Ų33.61%0.00718%0.181CC..EExtended strand (participates in β ladder)trans-111.2121.3173.2-51.60000108.8F575 L579 Q647 S671 I672F575-S655 WeakPolarHBondContact CD1-OG 3.31Å; L579-S655 VanDerWaalsContact CD1-CB 3.5Å; Q647-S655 PolarHBondContact OE1-OG 3.1Å; S655-S671 CarbonylContact O-C 3.54Å; S655-S671 WeakPolarHBondContact O-CA 3.49Å; S655-I672 PolarHBondContact N-O 2.87Å; S655-I672 PolarHBondContact O-N 3.45Å
656A98.4Very high95.2Very high0 Ų033.6 Ų33.60%018%0.181CC..EExtended strand (participates in β ladder)trans-99.8144.5175.200000109.7S645 E646 V648 F918 W931S645-A656 CarbonylContact C-O 3.52Å; S645-A656 WeakPolarHBondContact CA-O 3.2Å; S645-A656 WeakPolarHBondContact CB-O 3.34Å; E646-A656 PolarHBondContact N-O 2.93Å; E646-A656 PolarHBondContact O-N 3.21Å; V648-A656 HydrophobicContact CG1-CB 3.77Å; V648-A656 HydrophobicContact CG2-CB 4.11Å; A656-F918 HydrophobicContact CB-CB 4.35Å; A656-F918 HydrophobicContact CB-CD1 3.59Å; A656-F918 HydrophobicContact CB-CD2 4.14Å; A656-F918 HydrophobicContact CB-CE1 3.83Å; A656-F918 HydrophobicContact CB-CE2 4.37Å; A656-F918 HydrophobicContact CB-CG 3.76Å; A656-F918 HydrophobicContact CB-CZ 4.22Å; A656-W931 HydrophobicContact CB-CB 3.65Å; A656-W931 HydrophobicContact CB-CG 4.32Å
657F98.6Very high95.2Very high2 Ų234.9 Ų34.91%0.00919%0.188CC..EExtended strand (participates in β ladder)trans-139.8152.4176.668.5-91.2000111.1Y582 I644 F668 H669 G670 I672 I691Y582-F657 HydrophobicContact CD2-CZ 4.37Å; I644-F657 CarbonylContact O-C 3.54Å; I644-F657 WeakPolarHBondContact O-CA 3.37Å; F657-F668 HydrophobicContact CD2-CD1 4.26Å; F657-F668 HydrophobicContact CD2-CE1 4.17Å; F657-F668 AromaticContact CE2-CD1 3.6Å; F657-F668 HydrophobicContact CE2-CD1 3.6Å; F657-F668 AromaticContact CE2-CE1 3.3Å; F657-F668 HydrophobicContact CE2-CE1 3.3Å; F657-F668 HydrophobicContact CE2-CG 4.4Å; F657-F668 AromaticContact CE2-CZ 3.86Å; F657-F668 HydrophobicContact CE2-CZ 3.86Å; F657-F668 AromaticContact CZ-CE1 3.89Å; F657-F668 HydrophobicContact CZ-CE1 3.89Å; F657-F668 HydrophobicContact CZ-CZ 4.04Å; F657-H669 VanDerWaalsContact CE2-C 3.48Å; F657-H669 WeakPolarHBondContact O-CA 3.43Å; F657-H669 WeakPolarHBondContact O-CB 3.43Å; F657-G670 WeakPolarHBondContact CD1-O 3.41Å; F657-G670 PolarHBondContact N-O 2.98Å; F657-G670 PolarHBondContact O-N 2.75Å; F657-G670 VanDerWaalsContact O-N 3.13Å; F657-I672 HydrophobicContact CE1-CG1 4.27Å; F657-I691 HydrophobicContact CE1-CD1 4.07Å; F657-I691 HydrophobicContact CZ-CD1 3.79Å
658H98.7Very high95.2Very high17 Ų1735 Ų358%0.07919%0.188CC..EExtended strand (participates in β ladder)trans-146.5123.8177.8-177.993.1000109.4L643 I644 E660 I667 H669 F918 Y933L643-H658 CarbonylContact C-O 3.54Å; L643-H658 WeakPolarHBondContact CA-O 3.4Å; I644-H658 HydrophobicContact CG2-CB 4.2Å; I644-H658 PolarHBondContact N-O 2.81Å; I644-H658 PolarHBondContact O-N 2.87Å; H658-E660 IonicContact CD2-OE1 2.77Å; H658-E660 IonicContact CE1-OE1 3.95Å; H658-E660 VanDerWaalsContact NE2-CD 3.3Å; H658-E660 WeakPolarHBondContact NE2-CG 3.33Å; H658-E660 IonicContact NE2-OE1 3.86Å; H658-E660 PolarHBondContact NE2-OE1 3.3Å; H658-I667 WeakPolarHBondContact CE1-CG2 3.4Å; H658-H669 HydrophobicContact CB-CB 4.38Å; H658-F918 HydrophobicContact CB-CE1 3.97Å; H658-F918 HydrophobicContact CB-CZ 4.05Å; H658-Y933 HydrophobicContact CB-CD1 4.45Å; H658-Y933 HydrophobicContact CB-CG 4.01Å; H658-Y933 AromaticContact CD2-CD1 3.43Å; H658-Y933 VanDerWaalsContact CD2-CD1 3.43Å; H658-Y933 WeakPolarHBondContact CD2-CD1 3.47Å; H658-Y933 AromaticContact CD2-CE1 3.95Å; H658-Y933 AromaticContact CD2-CG 3.88Å; H658-Y933 AromaticContact CE1-CD1 3.82Å; H658-Y933 AromaticContact CG-CD1 3.73Å; H658-Y933 AromaticContact CG-CG 3.73Å; H658-Y933 WeakPolarHBondContact ND1-CB 3.27Å; H658-Y933 AromaticContact ND1-CD1 3.98Å; H658-Y933 AromaticContact NE2-CD1 3.48Å; H658-Y933 WeakPolarHBondContact NE2-CD1 3.35Å
659A98.6Very high95.3Very high0 Ų035.4 Ų35.40%019%0.19CC..EExtended strand (participates in β ladder)trans-124.9144.2178.900000110.8M583 R642 L643 I667 F668M583-A659 HydrophobicContact CE-CB 3.86Å; M583-A659 HydrophobicContact SD-CB 4.33Å; R642-A659 CarbonylContact O-C 3.45Å; R642-A659 WeakPolarHBondContact O-CA 3.49Å; L643-A659 HydrophobicContact CB-CB 3.9Å; L643-A659 HydrophobicContact CD1-CB 3.93Å; L643-A659 HydrophobicContact CG-CB 4.02Å; A659-I667 CarbonylContact O-C 3.59Å; A659-I667 WeakPolarHBondContact O-CA 3.47Å; A659-F668 WeakPolarHBondContact CA-O 3.5Å; A659-F668 HydrophobicContact CB-CB 4.3Å; A659-F668 HydrophobicContact CB-CD1 4.4Å; A659-F668 WeakPolarHBondContact CB-O 3.33Å; A659-F668 PolarHBondContact N-O 3.33Å; A659-F668 PolarHBondContact O-N 3.14Å
660E97.9Very high95.4Very high30 Ų3034.1 Ų34.114%0.1418%0.181CC..EExtended strand (participates in β ladder)trans-132.8135.1-176.8-60.9170.7154.500108.5F641 R642 H658F641-E660 WeakPolarHBondContact CA-O 3.49Å; R642-E660 HydrophobicContact CG-CB 4.28Å; R642-E660 IonicContact CZ-OE2 2.8Å; R642-E660 PolarHBondContact N-O 3.44Å; R642-E660 IonicContact NE-OE2 3.71Å; R642-E660 PolarHBondContact NE-OE2 2.99Å; R642-E660 IonicContact NH2-OE2 3.9Å; R642-E660 PolarHBondContact NH2-OE2 2.98Å; R642-E660 PolarHBondContact O-N 3.02Å; H658-E660 IonicContact CD2-OE1 2.77Å; H658-E660 IonicContact CE1-OE1 3.95Å; H658-E660 VanDerWaalsContact NE2-CD 3.3Å; H658-E660 WeakPolarHBondContact NE2-CG 3.33Å; H658-E660 IonicContact NE2-OE1 3.86Å; H658-E660 PolarHBondContact NE2-OE1 3.3Å
661G97.8Very high95.9Very high5 Ų532.2 Ų32.25%0.05217%0.173CC..EExtended strand (participates in β ladder)trans-64.4135.4167.100000110.1G640 N663 N664 F666G640-G661 CarbonylContact O-C 3.55Å; G640-G661 WeakPolarHBondContact O-CA 3.45Å; G661-N663 PolarHBondContact O-N 3.41Å; G661-N664 WeakPolarHBondContact O-CA 3.4Å; G661-N664 PolarHBondContact O-N 3.23Å; G661-F666 VanDerWaalsContact CA-CE1 3.45Å; G661-F666 PolarHBondContact N-O 2.99Å
662L96.5Very high96.6Very high72 Ų7227.1 Ų27.138%0.37715%0.15SC..THydrogen-bonded Turntrans-63.8-24.7-179.2-65.6178.3000112.3D637 G640 R642 N664D637-L662 WeakPolarHBondContact OD1-CD1 3.34Å; G640-L662 PolarHBondContact O-N 3.36Å; R642-L662 HydrophobicContact CB-CD2 4.1Å; R642-L662 HydrophobicContact CG-CD2 4.19Å; L662-N664 VanDerWaalsContact C-N 3.31Å
663N95.1Very high96.8Very high136 Ų13627.8 Ų27.873%0.72715%0.145SC*.THydrogen-bonded Turntrans-91.37.9174.3-63.6-31.7000112.9G661 D665G661-N663 PolarHBondContact O-N 3.41Å; N663-D665 PolarHBondContact O-N 2.99Å
664N94.7Very high96.6Very high107 Ų10726.9 Ų26.957%0.57214%0.139SC*.SBendtrans56.337.7-178.7-161.965.5000113.2G661 L662 L696G661-N664 WeakPolarHBondContact O-CA 3.4Å; G661-N664 PolarHBondContact O-N 3.23Å; L662-N664 VanDerWaalsContact C-N 3.31Å; N664-L696 VanDerWaalsContact O-CD1 3.3Å; N664-L696 WeakPolarHBondContact O-CD1 3.13Å
665D94.8Very high96Very high9 Ų929.1 Ų29.15%0.04815%0.148CC..SBendtrans-91.2-27.7178.862.2-47.3000112.4H590 N663 L696H590-D665 IonicContact CE1-OD1 3.12Å; H590-D665 IonicContact CE1-OD2 3.44Å; H590-D665 PolarHBondContact CE1-OD2 2.9Å; H590-D665 IonicContact CG-OD2 3.7Å; H590-D665 IonicContact ND1-OD1 2.89Å; H590-D665 IonicContact ND1-OD2 2.81Å; H590-D665 PolarHBondContact ND1-OD2 2.88Å; N663-D665 PolarHBondContact O-N 2.99Å; D665-L696 PolarHBondContact O-N 2.93Å
666F98.5Very high95Very high0 Ų034.4 Ų34.40%018%0.176CC..EExtended strand (participates in β ladder)trans-144.7157.9176.979.4-91000113.9M583 T586 I589 H590 F641 G661 F668 L693 E694 L695M583-F666 HydrophobicContact CE-CE2 3.7Å; M583-F666 HydrophobicContact CE-CZ 3.81Å; T586-F666 HydrophobicContact CG2-CE1 3.67Å; T586-F666 HydrophobicContact CG2-CZ 3.54Å; I589-F666 HydrophobicContact CB-CD1 4.35Å; I589-F666 HydrophobicContact CB-CG 4.44Å; I589-F666 HydrophobicContact CD1-CD2 4.15Å; I589-F666 HydrophobicContact CD1-CE2 3.97Å; I589-F666 HydrophobicContact CD1-CZ 4.3Å; I589-F666 HydrophobicContact CG2-CB 3.5Å; I589-F666 VanDerWaalsContact CG2-CB 3.5Å; I589-F666 HydrophobicContact CG2-CD1 3.58Å; I589-F666 HydrophobicContact CG2-CD2 3.86Å; I589-F666 HydrophobicContact CG2-CE1 4.24Å; I589-F666 HydrophobicContact CG2-CG 3.36Å; H590-F666 AromaticContact CE1-CD1 3.97Å; H590-F666 AromaticContact CE1-CE1 3.51Å; F641-F666 HydrophobicContact CB-CE1 4.43Å; F641-F666 HydrophobicContact CB-CZ 3.88Å; G661-F666 VanDerWaalsContact CA-CE1 3.45Å; G661-F666 PolarHBondContact N-O 2.99Å; F666-F668 HydrophobicContact CD2-CB 4.05Å; F666-F668 HydrophobicContact CE2-CB 3.93Å; F666-L693 HydrophobicContact CB-CD1 4.33Å; F666-L693 HydrophobicContact CD2-CD1 3.99Å; F666-E694 CarbonylContact C-O 3.53Å; F666-E694 WeakPolarHBondContact CA-O 3.41Å; F666-E694 WeakPolarHBondContact CB-O 3.1Å; F666-L695 HydrophobicContact CB-CD2 4.1Å
667I98.6Very high93.7Very high28 Ų2838 Ų3814%0.14419%0.191CC..EExtended strand (participates in β ladder)trans-125.6132.1164.6-58.7178.2000108.2H658 A659 L693 E694 L696H658-I667 WeakPolarHBondContact CE1-CG2 3.4Å; A659-I667 CarbonylContact O-C 3.59Å; A659-I667 WeakPolarHBondContact O-CA 3.47Å; I667-L693 CarbonylContact O-C 3.52Å; I667-L693 WeakPolarHBondContact O-CA 3.29Å; I667-E694 HydrophobicContact CB-CB 4.24Å; I667-E694 PolarHBondContact N-O 3.23Å; I667-E694 PolarHBondContact O-N 3.17Å; I667-L696 HydrophobicContact CD1-CD1 4.11Å; I667-L696 HydrophobicContact CD1-CD2 4Å; I667-L696 HydrophobicContact CG1-CD1 3.9Å; I667-L696 HydrophobicContact CG1-CD2 4.13Å; I667-L696 HydrophobicContact CG1-CG 4.26Å
668F98.7Very high92.1Very high2 Ų243.9 Ų43.91%0.00922%0.217CC..EExtended strand (participates in β ladder)trans-128.1116.8178175.1-108.2000109.9Y582 M583 F608 F657 A659 F666 I691 T692 L693 W704Y582-F668 HydrophobicContact CD2-CE1 4.29Å; Y582-F668 HydrophobicContact CD2-CZ 4.2Å; M583-F668 HydrophobicContact CE-CB 4.32Å; M583-F668 HydrophobicContact CE-CD1 4.03Å; M583-F668 HydrophobicContact CE-CG 4.46Å; M583-F668 HydrophobicContact SD-CD1 3.23Å; M583-F668 WeakPolarHBondContact SD-CD1 3.14Å; M583-F668 HydrophobicContact SD-CE1 3.55Å; M583-F668 VanDerWaalsContact SD-CE1 3.55Å; M583-F668 HydrophobicContact SD-CG 4.12Å; F608-F668 HydrophobicContact CE1-CD2 4.01Å; F608-F668 HydrophobicContact CE1-CE1 4.5Å; F608-F668 AromaticContact CE1-CE2 3.63Å; F608-F668 HydrophobicContact CE1-CE2 3.63Å; F608-F668 AromaticContact CE1-CZ 3.91Å; F608-F668 HydrophobicContact CE1-CZ 3.91Å; F608-F668 HydrophobicContact CZ-CE1 4.33Å; F608-F668 HydrophobicContact CZ-CE2 4.24Å; F608-F668 HydrophobicContact CZ-CZ 4.15Å; F657-F668 HydrophobicContact CD2-CD1 4.26Å; F657-F668 HydrophobicContact CD2-CE1 4.17Å; F657-F668 AromaticContact CE2-CD1 3.6Å; F657-F668 HydrophobicContact CE2-CD1 3.6Å; F657-F668 AromaticContact CE2-CE1 3.3Å; F657-F668 HydrophobicContact CE2-CE1 3.3Å; F657-F668 HydrophobicContact CE2-CG 4.4Å; F657-F668 AromaticContact CE2-CZ 3.86Å; F657-F668 HydrophobicContact CE2-CZ 3.86Å; F657-F668 AromaticContact CZ-CE1 3.89Å; F657-F668 HydrophobicContact CZ-CE1 3.89Å; F657-F668 HydrophobicContact CZ-CZ 4.04Å; A659-F668 WeakPolarHBondContact CA-O 3.5Å; A659-F668 HydrophobicContact CB-CB 4.3Å; A659-F668 HydrophobicContact CB-CD1 4.4Å; A659-F668 WeakPolarHBondContact CB-O 3.33Å; A659-F668 PolarHBondContact N-O 3.33Å; A659-F668 PolarHBondContact O-N 3.14Å; F666-F668 HydrophobicContact CD2-CB 4.05Å; F666-F668 HydrophobicContact CE2-CB 3.93Å; F668-I691 HydrophobicContact CD2-CG2 4.21Å; F668-I691 HydrophobicContact CE2-CG2 3.2Å; F668-I691 HydrophobicContact CZ-CG2 3.62Å; F668-T692 WeakPolarHBondContact CA-O 3.44Å; F668-L693 HydrophobicContact CB-CD1 3.94Å; F668-L693 HydrophobicContact CD2-CB 4.13Å; F668-L693 HydrophobicContact CD2-CD1 4.13Å; F668-L693 HydrophobicContact CG-CD1 4.48Å; F668-W704 HydrophobicContact CD2-CH2 4.3Å; F668-W704 AromaticContact CE2-CH2 3.7Å; F668-W704 HydrophobicContact CE2-CH2 3.7Å; F668-W704 AromaticContact CE2-CZ2 3.86Å; F668-W704 HydrophobicContact CE2-CZ2 3.86Å
669H98.4Very high90.3Very high13 Ų1350.7 Ų50.76%0.0624%0.242CC..EExtended strand (participates in β ladder)trans-145.7165.7-174.271.387.6000112.2F657 H658 T692 E694F657-H669 VanDerWaalsContact CE2-C 3.48Å; F657-H669 WeakPolarHBondContact O-CA 3.43Å; F657-H669 WeakPolarHBondContact O-CB 3.43Å; H658-H669 HydrophobicContact CB-CB 4.38Å; H669-T692 VanDerWaalsContact CE1-CB 3.49Å; H669-T692 WeakPolarHBondContact CE1-CB 2.99Å; H669-T692 PolarHBondContact N-O 3.45Å; H669-T692 WeakPolarHBondContact NE2-CB 3.32Å; H669-T692 WeakPolarHBondContact NE2-CG2 3.34Å; H669-T692 PolarHBondContact O-N 2.96Å; H669-E694 IonicContact NE2-OE1 3.82Å
670G97.6Very high88.5Confident0 Ų052.4 Ų52.40%026%0.261CS..EExtended strand (participates in β ladder)trans168.7-179.4174.600000111.7F657 T690F657-G670 WeakPolarHBondContact CD1-O 3.41Å; F657-G670 PolarHBondContact N-O 2.98Å; F657-G670 PolarHBondContact O-N 2.75Å; F657-G670 VanDerWaalsContact O-N 3.13Å; G670-T690 WeakPolarHBondContact CA-O 3.16Å
671S96.6Very high86.8Confident10 Ų1056 Ų567%0.0728%0.275CS..EExtended strand (participates in β ladder)trans-133.7138.6174.857.50000110.2S655 G689 D930S655-S671 CarbonylContact O-C 3.54Å; S655-S671 WeakPolarHBondContact O-CA 3.49Å; S671-G689 VanDerWaalsContact O-CA 3.31Å; S671-G689 WeakPolarHBondContact O-CA 3.32Å; S671-D930 PolarHBondContact OG-OD1 3.04Å
672I95.9Very high85.6Confident2 Ų256.5 Ų56.51%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-122.2126-177.2-63.1-59.9000110.5F575 L579 S655 F657 P687 K688 I691F575-I672 HydrophobicContact CE1-CG2 4.27Å; F575-I672 HydrophobicContact CZ-CG2 3.98Å; L579-I672 HydrophobicContact CD1-CB 4.3Å; L579-I672 HydrophobicContact CD2-CB 4.09Å; L579-I672 HydrophobicContact CD2-CG1 3.89Å; L579-I672 HydrophobicContact CD2-CG2 4.23Å; S655-I672 PolarHBondContact N-O 2.87Å; S655-I672 PolarHBondContact O-N 3.45Å; F657-I672 HydrophobicContact CE1-CG1 4.27Å; I672-P687 HydrophobicContact CG2-CB 4.16Å; I672-K688 CarbonylContact C-O 3.59Å; I672-K688 WeakPolarHBondContact CA-O 3.36Å; I672-I691 HydrophobicContact CD1-CD1 3.71Å; I672-I691 HydrophobicContact CG1-CD1 4.38Å
673Y92.9Very high84.5Confident70 Ų7054.2 Ų54.228%0.27527%0.267SS..EExtended strand (participates in β ladder)trans-112.9103.2165.6166.2-143.1000109.5P652 P653 K675 K688P652-Y673 HydrophobicContact CB-CD1 4.34Å; P652-Y673 HydrophobicContact CB-CD2 3.94Å; P652-Y673 HydrophobicContact CB-CE1 4.05Å; P652-Y673 HydrophobicContact CB-CE2 3.67Å; P652-Y673 HydrophobicContact CB-CG 4.29Å; P653-Y673 HydrophobicContact CG-CD2 4.16Å; P653-Y673 HydrophobicContact CG-CE2 4.13Å; P653-Y673 WeakPolarHBondContact O-CD2 3.38Å; Y673-K675 HydrophobicContact CE1-CB 4.03Å; Y673-K675 HydrophobicContact CE1-CG 4.39Å; Y673-K675 HydrophobicContact CE2-CB 4.37Å; Y673-K675 PolarHBondContact O-N 3.01Å; Y673-K688 HydrophobicContact CD1-CB 4.12Å; Y673-K688 HydrophobicContact CD1-CD 4.08Å; Y673-K688 HydrophobicContact CD1-CG 4.47Å; Y673-K688 HydrophobicContact CE1-CD 4.34Å; Y673-K688 PolarHBondContact N-O 3.45Å; Y673-K688 WeakPolarHBondContact O-CB 3.38Å; Y673-K688 PolarHBondContact O-N 3.33Å
674P86.8Confident83.9Confident32 Ų3249.5 Ų49.521%0.20824%0.241CC..EExtended strand (participates in β ladder)trans-76.493.9177.330.9-32.9000110.2F575 L676F575-P674 HydrophobicContact CE1-CG 3.98Å; F575-P674 HydrophobicContact CZ-CB 4.27Å; F575-P674 HydrophobicContact CZ-CG 3.88Å; P674-L676 PolarHBondContact O-N 3.25Å
675K82.5Confident83.4Confident75 Ų7545.5 Ų45.533%0.32622%0.223SC..EExtended strand (participates in β ladder)trans-77114.1177.1-175178.2-178.4178.70109.4Y673 E686 K688Y673-K675 HydrophobicContact CE1-CB 4.03Å; Y673-K675 HydrophobicContact CE1-CG 4.39Å; Y673-K675 HydrophobicContact CE2-CB 4.37Å; Y673-K675 PolarHBondContact O-N 3.01Å; K675-E686 HydrophobicContact CB-CB 4.39Å; K675-E686 PolarHBondContact N-O 3.27Å; K675-E686 PolarHBondContact O-N 2.81Å; K675-K688 HydrophobicContact CB-CD 4.4Å; K675-K688 HydrophobicContact CB-CG 4.47Å; K675-K688 HydrophobicContact CD-CD 4.42Å
676L76.4Confident83.1Confident113 Ų11347.8 Ų47.859%0.59223%0.233SC*.EExtended strand (participates in β ladder)trans-87.4137.4-179.9-60.4175000111.7P674 V683 E684 A685P674-L676 PolarHBondContact O-N 3.25Å; L676-V683 HydrophobicContact CD2-CG1 4.07Å; L676-E684 CarbonylContact C-O 3.56Å; L676-E684 VanDerWaalsContact CA-O 3.31Å; L676-E684 WeakPolarHBondContact CA-O 3.18Å; L676-A685 HydrophobicContact CD2-CB 3.71Å
677K72.9Confident82.8Confident74 Ų7448.6 Ų48.632%0.32224%0.238SC..EExtended strand (participates in β ladder)trans-133.1135.3169.4-62.7176.3-165.1150.60109.4V683 E684 E686K677-V683 CarbonylContact O-C 3.58Å; K677-V683 WeakPolarHBondContact O-CA 3.3Å; K677-E684 HydrophobicContact CB-CB 4.41Å; K677-E684 PolarHBondContact N-O 3.4Å; K677-E684 PolarHBondContact O-N 3.05Å; K677-E686 IonicContact NZ-OE2 3.11Å; K677-E686 PolarHBondContact NZ-OE2 3.11Å
678F65Low82.4Confident127 Ų12751.2 Ų51.256%0.55725%0.249SC*.EExtended strand (participates in β ladder)trans-103.4126.8178.9177-102.7000110.2G680 V683 I714 I715F678-G680 WeakPolarHBondContact CE2-O 3.47Å; F678-G680 WeakPolarHBondContact CZ-O 3.38Å; F678-V683 HydrophobicContact CD2-CG2 3.7Å; F678-I714 HydrophobicContact CD2-CG2 4.35Å; F678-I714 HydrophobicContact CE2-CG2 3.71Å; F678-I715 HydrophobicContact CZ-CD1 4.06Å; F678-I715 HydrophobicContact CZ-CG1 4.38Å
679W60.3Low82.2Confident159 Ų15952.3 Ų52.360%0.60226%0.261SS*.EExtended strand (participates in β ladder)trans-118.949.3-175.5-68.196.5000111.4K681 S682 E684W679-K681 VanDerWaalsContact C-N 3.34Å; W679-K681 PolarHBondContact O-N 2.93Å; W679-S682 PolarHBondContact N-O 3.37Å; W679-E684 VanDerWaalsContact CD1-CD 3.44Å; W679-E684 PolarHBondContact NE1-OE1 3.33Å; W679-E684 PolarHBondContact NE1-OE2 3.18Å
680G60.9Low82.1Confident37 Ų3752.6 Ų52.638%0.38126%0.263SS..THydrogen-bonded Turntrans72.7-77.3178.200000113.4F678 I715F678-G680 WeakPolarHBondContact CE2-O 3.47Å; F678-G680 WeakPolarHBondContact CZ-O 3.38Å; G680-I715 WeakPolarHBondContact O-CD1 3.43Å
681K62.5Low82.1Confident104 Ų10452.6 Ų52.645%0.45226%0.263SS..THydrogen-bonded Turntrans-94.9-12.9179.8-65.5-175.1179.1-177.90113.5W679 N713 I714 D813W679-K681 VanDerWaalsContact C-N 3.34Å; W679-K681 PolarHBondContact O-N 2.93Å; K681-N713 WeakPolarHBondContact O-CA 3.35Å; K681-N713 PolarHBondContact O-N 3.36Å; K681-I714 PolarHBondContact O-N 3.44Å; K681-D813 PolarHBondContact NZ-O 2.86Å; K681-D813 IonicContact NZ-OD1 3.31Å; K681-D813 PolarHBondContact NZ-OD1 3.38Å; K681-D813 VanDerWaalsContact NZ-OD1 3.08Å
682S71.4Confident82.2Confident16 Ų1652.1 Ų52.111%0.11226%0.26CS..EExtended strand (participates in β ladder)trans-130.8156.9-175.4-54.30000113.3W679 V711 H712W679-S682 PolarHBondContact N-O 3.37Å; S682-V711 CarbonylContact C-O 3.57Å; S682-V711 VanDerWaalsContact CA-O 3.22Å; S682-V711 WeakPolarHBondContact CA-O 3.4Å; S682-V711 WeakPolarHBondContact CB-O 3.32Å; S682-H712 PolarHBondContact OG-ND1 3.09Å; S682-H712 VanDerWaalsContact OG-ND1 3.13Å
683V73.8Confident82.3Confident24 Ų2452 Ų5215%0.14526%0.26CS..EExtended strand (participates in β ladder)trans-116.2123.3168170.60000109.6L676 K677 F678 C710 V711 I714L676-V683 HydrophobicContact CD2-CG1 4.07Å; K677-V683 CarbonylContact O-C 3.58Å; K677-V683 WeakPolarHBondContact O-CA 3.3Å; F678-V683 HydrophobicContact CD2-CG2 3.7Å; V683-C710 CarbonylContact O-C 3.5Å; V683-C710 WeakPolarHBondContact O-CA 3.04Å; V683-V711 PolarHBondContact N-O 3.06Å; V683-V711 PolarHBondContact O-N 2.9Å; V683-I714 HydrophobicContact CB-CD1 3.88Å; V683-I714 HydrophobicContact CG2-CD1 3.32Å; V683-I714 HydrophobicContact CG2-CG2 4.25Å
684E83.2Confident82.6Confident38 Ų3850.2 Ų50.218%0.17825%0.254CS..EExtended strand (participates in β ladder)trans-90.6132.2168.9-69.4-179.6176.300110L676 K677 W679 T708 C709 C710 Y724L676-E684 CarbonylContact C-O 3.56Å; L676-E684 VanDerWaalsContact CA-O 3.31Å; L676-E684 WeakPolarHBondContact CA-O 3.18Å; K677-E684 HydrophobicContact CB-CB 4.41Å; K677-E684 PolarHBondContact N-O 3.4Å; K677-E684 PolarHBondContact O-N 3.05Å; W679-E684 VanDerWaalsContact CD1-CD 3.44Å; W679-E684 PolarHBondContact NE1-OE1 3.33Å; W679-E684 PolarHBondContact NE1-OE2 3.18Å; E684-T708 HydrophobicContact CB-CG2 4.29Å; E684-C709 CarbonylContact C-O 3.6Å; E684-C709 WeakPolarHBondContact CA-O 3.23Å; E684-C710 HydrophobicContact CG-CB 4.42Å; E684-Y724 VanDerWaalsContact CG-OH 3.23Å; E684-Y724 WeakPolarHBondContact CG-OH 3.41Å; E684-Y724 PolarHBondContact OE1-OH 3.08Å
685A84.3Confident83.2Confident23 Ų2348.8 Ų48.819%0.1924%0.244CC..EExtended strand (participates in β ladder)trans-113.4105.7168.900000108.4L676 P687 C709L676-A685 HydrophobicContact CD2-CB 3.71Å; A685-P687 VanDerWaalsContact O-CD 3.29Å; A685-P687 WeakPolarHBondContact O-CD 3.3Å; A685-C709 HydrophobicContact CB-CB 4.47Å; A685-C709 PolarHBondContact N-O 2.88Å; A685-C709 PolarHBondContact O-N 3.25Å
686E88.6Confident83.9Confident56 Ų5647.3 Ų47.326%0.26224%0.24SC..EExtended strand (participates in β ladder)trans-89.9107.1176.5-174.5-172.2154.500108.5K675 K677 K688K675-E686 HydrophobicContact CB-CB 4.39Å; K675-E686 PolarHBondContact N-O 3.27Å; K675-E686 PolarHBondContact O-N 2.81Å; K677-E686 IonicContact NZ-OE2 3.11Å; K677-E686 PolarHBondContact NZ-OE2 3.11Å; E686-K688 HydrophobicContact CG-CG 4.34Å; E686-K688 PolarHBondContact O-N 3.47Å; E686-K688 WeakPolarHBondContact OE1-CE 3.38Å; E686-K688 IonicContact OE1-NZ 3.86Å
687P90.9Very high84.8Confident17 Ų1748.2 Ų48.211%0.1124%0.241CC..EExtended strand (participates in β ladder)trans-77.991.9-178.631.9-33.6000110.2I672 A685 N706 P707I672-P687 HydrophobicContact CG2-CB 4.16Å; A685-P687 VanDerWaalsContact O-CD 3.29Å; A685-P687 WeakPolarHBondContact O-CD 3.3Å; P687-N706 HydrophobicContact CB-CB 4.38Å; P687-N706 HydrophobicContact CG-CB 3.77Å; P687-P707 WeakPolarHBondContact CD-O 3.3Å; P687-P707 WeakPolarHBondContact CG-O 3.3Å
688K91.8Very high85.9Confident84 Ų8446.5 Ų46.537%0.36523%0.234SC..EExtended strand (participates in β ladder)trans-77.6130.7179.3-67.1-164.8167.2-148.50111.4I672 Y673 K675 E686I672-K688 CarbonylContact C-O 3.59Å; I672-K688 WeakPolarHBondContact CA-O 3.36Å; Y673-K688 HydrophobicContact CD1-CB 4.12Å; Y673-K688 HydrophobicContact CD1-CD 4.08Å; Y673-K688 HydrophobicContact CD1-CG 4.47Å; Y673-K688 HydrophobicContact CE1-CD 4.34Å; Y673-K688 PolarHBondContact N-O 3.45Å; Y673-K688 WeakPolarHBondContact O-CB 3.38Å; Y673-K688 PolarHBondContact O-N 3.33Å; K675-K688 HydrophobicContact CB-CD 4.4Å; K675-K688 HydrophobicContact CB-CG 4.47Å; K675-K688 HydrophobicContact CD-CD 4.42Å; E686-K688 HydrophobicContact CG-CG 4.34Å; E686-K688 PolarHBondContact O-N 3.47Å; E686-K688 WeakPolarHBondContact OE1-CE 3.38Å; E686-K688 IonicContact OE1-NZ 3.86Å
689G93Very high87.4Confident25 Ų2546.8 Ų46.826%0.25824%0.241SC..SBendtrans141.4158171.100000111.8S671S671-G689 VanDerWaalsContact O-CA 3.31Å; S671-G689 WeakPolarHBondContact O-CA 3.32Å
690T96.5Very high89.2Confident19 Ų1939.6 Ų39.612%0.11721%0.214CC..  trans-85.6131.6178.2-620000109.5G670 T703 N926G670-T690 WeakPolarHBondContact CA-O 3.16Å; T690-T703 HydrophobicContact CG2-CG2 4.07Å; T690-N926 VanDerWaalsContact CG2-ND2 3.32Å; T690-N926 WeakPolarHBondContact CG2-ND2 3.45Å; T690-N926 PolarHBondContact OG1-ND2 2.79Å
691I98.2Very high91Very high0 Ų038 Ų380%020%0.197CC..EExtended strand (participates in β ladder)trans-94.9133165.8-53.3-64.3000107.8Y582 F657 F668 I672 T703 W704Y582-I691 HydrophobicContact CE2-CD1 4.3Å; F657-I691 HydrophobicContact CE1-CD1 4.07Å; F657-I691 HydrophobicContact CZ-CD1 3.79Å; F668-I691 HydrophobicContact CD2-CG2 4.21Å; F668-I691 HydrophobicContact CE2-CG2 3.2Å; F668-I691 HydrophobicContact CZ-CG2 3.62Å; I672-I691 HydrophobicContact CD1-CD1 3.71Å; I672-I691 HydrophobicContact CG1-CD1 4.38Å; I691-T703 VanDerWaalsContact O-CA 3.23Å; I691-T703 WeakPolarHBondContact O-CA 3.24Å; I691-W704 HydrophobicContact CB-CD2 3.95Å; I691-W704 HydrophobicContact CB-CE3 4.44Å; I691-W704 HydrophobicContact CB-CG 4.32Å; I691-W704 HydrophobicContact CB-CZ2 4.07Å; I691-W704 HydrophobicContact CG2-CD2 4.04Å; I691-W704 VanDerWaalsContact CG2-CE2 3.48Å; I691-W704 HydrophobicContact CG2-CE3 4.31Å; I691-W704 HydrophobicContact CG2-CH2 3.63Å; I691-W704 HydrophobicContact CG2-CZ2 3.28Å; I691-W704 HydrophobicContact CG2-CZ3 4.12Å; I691-W704 PolarHBondContact N-O 2.93Å; I691-W704 PolarHBondContact O-N 3.07Å
692T98.6Very high92.7Very high0 Ų033 Ų330%018%0.176CC..EExtended strand (participates in β ladder)trans-126.5129.1-179.7-51.50000109.9F668 H669 E694 Y702 T703 N923 Y925F668-T692 WeakPolarHBondContact CA-O 3.44Å; H669-T692 VanDerWaalsContact CE1-CB 3.49Å; H669-T692 WeakPolarHBondContact CE1-CB 2.99Å; H669-T692 PolarHBondContact N-O 3.45Å; H669-T692 WeakPolarHBondContact NE2-CB 3.32Å; H669-T692 WeakPolarHBondContact NE2-CG2 3.34Å; H669-T692 PolarHBondContact O-N 2.96Å; T692-E694 HydrophobicContact CG2-CG 4.31Å; T692-Y702 CarbonylContact C-O 3.58Å; T692-Y702 WeakPolarHBondContact CA-O 3.47Å; T692-T703 HydrophobicContact CG2-CG2 4.21Å; T692-N923 PolarHBondContact OG1-ND2 2.92Å; T692-Y925 HydrophobicContact CG2-CD2 3.75Å; T692-Y925 HydrophobicContact CG2-CE2 3.73Å
693L98.8Very high94Very high0 Ų032.6 Ų32.60%017%0.173CC..EExtended strand (participates in β ladder)trans-121.5122.2171.2176.267000108.9I589 V605 F666 I667 F668 L695 A701 Y702 W704I589-L693 HydrophobicContact CD1-CD1 3.91Å; I589-L693 HydrophobicContact CG1-CD1 4.23Å; I589-L693 HydrophobicContact CG1-CD2 4.22Å; I589-L693 HydrophobicContact CG2-CD1 3.89Å; I589-L693 HydrophobicContact CG2-CD2 4.43Å; V605-L693 HydrophobicContact CG1-CD2 4.05Å; V605-L693 HydrophobicContact CG2-CD2 3.86Å; F666-L693 HydrophobicContact CB-CD1 4.33Å; F666-L693 HydrophobicContact CD2-CD1 3.99Å; I667-L693 CarbonylContact O-C 3.52Å; I667-L693 WeakPolarHBondContact O-CA 3.29Å; F668-L693 HydrophobicContact CB-CD1 3.94Å; F668-L693 HydrophobicContact CD2-CB 4.13Å; F668-L693 HydrophobicContact CD2-CD1 4.13Å; F668-L693 HydrophobicContact CG-CD1 4.48Å; L693-L695 HydrophobicContact CD2-CD2 4.42Å; L693-L695 HydrophobicContact CG-CD2 4.37Å; L693-A701 CarbonylContact O-C 3.56Å; L693-A701 WeakPolarHBondContact O-CA 3.34Å; L693-Y702 PolarHBondContact N-O 3.45Å; L693-Y702 PolarHBondContact O-N 3.47Å; L693-W704 HydrophobicContact CB-CH2 3.97Å; L693-W704 HydrophobicContact CB-CZ3 3.78Å
694E98.6Very high95.2Very high32 Ų3231.8 Ų31.815%0.1517%0.167CC..EExtended strand (participates in β ladder)trans-105.9126.6174.3-57.6177.9176.300109.1F666 I667 H669 T692 L696 E700 A701 Y925F666-E694 CarbonylContact C-O 3.53Å; F666-E694 WeakPolarHBondContact CA-O 3.41Å; F666-E694 WeakPolarHBondContact CB-O 3.1Å; I667-E694 HydrophobicContact CB-CB 4.24Å; I667-E694 PolarHBondContact N-O 3.23Å; I667-E694 PolarHBondContact O-N 3.17Å; H669-E694 IonicContact NE2-OE1 3.82Å; T692-E694 HydrophobicContact CG2-CG 4.31Å; E694-L696 HydrophobicContact CB-CD2 4.2Å; E694-E700 CarbonylContact C-O 3.54Å; E694-E700 WeakPolarHBondContact CA-O 3.45Å; E694-A701 HydrophobicContact CG-CB 4.29Å; E694-Y925 VanDerWaalsContact CD-OH 3.26Å; E694-Y925 HydrophobicContact CG-CE2 4.09Å; E694-Y925 WeakPolarHBondContact OE1-CE2 3.17Å; E694-Y925 PolarHBondContact OE1-OH 3.46Å
695L98.4Very high95.8Very high1 Ų133.3 Ų33.31%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-99.6101.9168.9-60.6-175.8000107.6I589 A592 F666 L693 E697 H698 N699 E700 Y702I589-L695 HydrophobicContact CG2-CD2 3.8Å; A592-L695 HydrophobicContact CB-CD1 3.99Å; F666-L695 HydrophobicContact CB-CD2 4.1Å; L693-L695 HydrophobicContact CD2-CD2 4.42Å; L693-L695 HydrophobicContact CG-CD2 4.37Å; L695-E697 PolarHBondContact O-N 3.23Å; L695-H698 HydrophobicContact CB-CB 4.47Å; L695-H698 PolarHBondContact O-N 3.07Å; L695-N699 PolarHBondContact O-N 3.43Å; L695-E700 PolarHBondContact N-O 3.11Å; L695-E700 PolarHBondContact O-N 3.06Å; L695-Y702 HydrophobicContact CD1-CE2 3.66Å; L695-Y702 HydrophobicContact CG-CD2 4.45Å; L695-Y702 HydrophobicContact CG-CE2 3.88Å
696L97.2Very high96.3Very high45 Ų4532.8 Ų32.824%0.23617%0.173CC..G310 helixtrans-68.2-40-165.5-62.9-178.5000112.1N664 D665 I667 E694 H698 N699N664-L696 VanDerWaalsContact O-CD1 3.3Å; N664-L696 WeakPolarHBondContact O-CD1 3.13Å; D665-L696 PolarHBondContact O-N 2.93Å; I667-L696 HydrophobicContact CD1-CD1 4.11Å; I667-L696 HydrophobicContact CD1-CD2 4Å; I667-L696 HydrophobicContact CG1-CD1 3.9Å; I667-L696 HydrophobicContact CG1-CD2 4.13Å; I667-L696 HydrophobicContact CG1-CG 4.26Å; E694-L696 HydrophobicContact CB-CD2 4.2Å; L696-H698 PolarHBondContact O-N 3.35Å; L696-N699 PolarHBondContact O-N 3.17Å; L696-N699 VanDerWaalsContact O-N 3.16Å
697E95.8Very high96.7Very high132 Ų13230.5 Ų30.562%0.61716%0.163SC*.G310 helixtrans-60-32.3177.3-65.9-171.8177.700112.5L695L695-E697 PolarHBondContact O-N 3.23Å
698H96.4Very high96.8Very high37 Ų3731 Ų3117%0.17117%0.166CC..G310 helixtrans-94.5-10.4-178.7-62.7-77.9000112.9S593 L595 R601 L695 L696 E700 K733S593-H698 PolarHBondContact O-NE2 3.01Å; L595-H698 PolarHBondContact O-CE1 2.9Å; R601-H698 PolarHBondContact NH1-ND1 3.34Å; L695-H698 HydrophobicContact CB-CB 4.47Å; L695-H698 PolarHBondContact O-N 3.07Å; L696-H698 PolarHBondContact O-N 3.35Å; H698-E700 HydrophobicContact CB-CB 4.18Å; H698-E700 HydrophobicContact CB-CG 3.89Å; H698-E700 PolarHBondContact O-N 3.07Å; H698-K733 PolarHBondContact O-NZ 3.2Å
699N96.9Very high96.7Very high133 Ų13328.3 Ų28.371%0.71116%0.157SC*.THydrogen-bonded Turntrans52.144.1-169.1-58.8-83.8000111.6L695 L696L695-N699 PolarHBondContact O-N 3.43Å; L696-N699 PolarHBondContact O-N 3.17Å; L696-N699 VanDerWaalsContact O-N 3.16Å
700E97.3Very high96.4Very high8 Ų827.3 Ų27.34%0.03715%0.146CC..EExtended strand (participates in β ladder)trans-117.3142.6-178.3-72.7179.7-170.300110.4R601 E694 L695 H698 Y702 N731 K733R601-E700 IonicContact CZ-OE1 3.21Å; R601-E700 IonicContact CZ-OE2 2.87Å; R601-E700 IonicContact NE-OE2 3.19Å; R601-E700 PolarHBondContact NE-OE2 3.26Å; R601-E700 IonicContact NH2-OE1 2.72Å; R601-E700 PolarHBondContact NH2-OE1 3.11Å; R601-E700 IonicContact NH2-OE2 3.73Å; R601-E700 PolarHBondContact NH2-OE2 2.93Å; E694-E700 CarbonylContact C-O 3.54Å; E694-E700 WeakPolarHBondContact CA-O 3.45Å; L695-E700 PolarHBondContact N-O 3.11Å; L695-E700 PolarHBondContact O-N 3.06Å; H698-E700 HydrophobicContact CB-CB 4.18Å; H698-E700 HydrophobicContact CB-CG 3.89Å; H698-E700 PolarHBondContact O-N 3.07Å; E700-Y702 HydrophobicContact CB-CE2 3.98Å; E700-Y702 PolarHBondContact OE2-OH 3.21Å; E700-N731 PolarHBondContact OE2-ND2 3.41Å; E700-K733 HydrophobicContact CG-CB 3.83Å; E700-K733 HydrophobicContact CG-CD 3.36Å; E700-K733 HydrophobicContact CG-CG 4.25Å
701A98.3Very high95.7Very high3 Ų328 Ų283%0.02515%0.15CC..EExtended strand (participates in β ladder)trans-128139.9174.800000110.6L693 E694 N731 H732 Y925L693-A701 CarbonylContact O-C 3.56Å; L693-A701 WeakPolarHBondContact O-CA 3.34Å; E694-A701 HydrophobicContact CG-CB 4.29Å; A701-N731 WeakPolarHBondContact O-CA 3.36Å; A701-H732 PolarHBondContact O-CD2 3.4Å; A701-H732 PolarHBondContact O-N 3.02Å; A701-Y925 HydrophobicContact CB-CD1 3.62Å; A701-Y925 HydrophobicContact CB-CD2 3.73Å; A701-Y925 HydrophobicContact CB-CE1 3.28Å; A701-Y925 HydrophobicContact CB-CE2 3.39Å; A701-Y925 HydrophobicContact CB-CG 3.84Å
702Y98.7Very high94.9Very high0 Ų028.8 Ų28.80%015%0.154CC..EExtended strand (participates in β ladder)trans-121.2127.5-179-57.6-100.1000108.9M602 V605 T692 L693 L695 E700 I729 I730 N731M602-Y702 HydrophobicContact CE-CD1 3.86Å; M602-Y702 HydrophobicContact CE-CE1 3.77Å; M602-Y702 HydrophobicContact SD-CD1 4.09Å; M602-Y702 HydrophobicContact SD-CE1 4.1Å; V605-Y702 HydrophobicContact CB-CD1 4.37Å; V605-Y702 HydrophobicContact CG1-CD1 4.02Å; V605-Y702 HydrophobicContact CG1-CG 4.02Å; V605-Y702 HydrophobicContact CG2-CD1 4.2Å; V605-Y702 HydrophobicContact CG2-CD2 4.22Å; V605-Y702 HydrophobicContact CG2-CE1 4.1Å; V605-Y702 HydrophobicContact CG2-CE2 4.15Å; V605-Y702 HydrophobicContact CG2-CG 4.25Å; T692-Y702 CarbonylContact C-O 3.58Å; T692-Y702 WeakPolarHBondContact CA-O 3.47Å; L693-Y702 PolarHBondContact N-O 3.45Å; L693-Y702 PolarHBondContact O-N 3.47Å; L695-Y702 HydrophobicContact CD1-CE2 3.66Å; L695-Y702 HydrophobicContact CG-CD2 4.45Å; L695-Y702 HydrophobicContact CG-CE2 3.88Å; E700-Y702 HydrophobicContact CB-CE2 3.98Å; E700-Y702 PolarHBondContact OE2-OH 3.21Å; Y702-I729 HydrophobicContact CD1-CG2 4.24Å; Y702-I730 VanDerWaalsContact CA-O 3.24Å; Y702-I730 WeakPolarHBondContact CA-O 3.33Å; Y702-N731 HydrophobicContact CD1-CB 3.9Å; Y702-N731 HydrophobicContact CE1-CB 3.7Å; Y702-N731 WeakPolarHBondContact CE1-ND2 3.22Å; Y702-N731 PolarHBondContact OH-ND2 3.5Å
703T98.6Very high93.6Very high8 Ų829.2 Ų29.25%0.04916%0.156CC..EExtended strand (participates in β ladder)trans-122.1141.9175.163.10000111.9T690 I691 T692 I729 I730 H732 Y925T690-T703 HydrophobicContact CG2-CG2 4.07Å; I691-T703 VanDerWaalsContact O-CA 3.23Å; I691-T703 WeakPolarHBondContact O-CA 3.24Å; T692-T703 HydrophobicContact CG2-CG2 4.21Å; T703-I729 WeakPolarHBondContact O-CA 3.3Å; T703-I730 PolarHBondContact N-O 2.99Å; T703-I730 VanDerWaalsContact N-O 3.14Å; T703-I730 PolarHBondContact O-N 2.73Å; T703-I730 VanDerWaalsContact O-N 3.08Å; T703-H732 VanDerWaalsContact CG2-NE2 3.32Å; T703-H732 WeakPolarHBondContact CG2-NE2 3.49Å; T703-H732 PolarHBondContact OG1-NE2 3.3Å; T703-Y925 HydrophobicContact CG2-CD2 4.43Å
704W98.3Very high91.9Very high7 Ų731.2 Ų31.23%0.02717%0.166CC..EExtended strand (participates in β ladder)trans-153.3176.9172.169.497.7000111.9V605 F608 A609 F668 I691 L693 N706 V727 E728 I729V605-W704 HydrophobicContact CG1-CZ3 4.3Å; F608-W704 HydrophobicContact CD1-CH2 4.2Å; F608-W704 HydrophobicContact CD1-CZ2 4.34Å; F608-W704 HydrophobicContact CE1-CH2 4.25Å; F608-W704 HydrophobicContact CE1-CZ2 4.32Å; A609-W704 HydrophobicContact CB-CD2 4.48Å; A609-W704 HydrophobicContact CB-CZ2 4.04Å; F668-W704 HydrophobicContact CD2-CH2 4.3Å; F668-W704 AromaticContact CE2-CH2 3.7Å; F668-W704 HydrophobicContact CE2-CH2 3.7Å; F668-W704 AromaticContact CE2-CZ2 3.86Å; F668-W704 HydrophobicContact CE2-CZ2 3.86Å; I691-W704 HydrophobicContact CB-CD2 3.95Å; I691-W704 HydrophobicContact CB-CE3 4.44Å; I691-W704 HydrophobicContact CB-CG 4.32Å; I691-W704 HydrophobicContact CB-CZ2 4.07Å; I691-W704 HydrophobicContact CG2-CD2 4.04Å; I691-W704 VanDerWaalsContact CG2-CE2 3.48Å; I691-W704 HydrophobicContact CG2-CE3 4.31Å; I691-W704 HydrophobicContact CG2-CH2 3.63Å; I691-W704 HydrophobicContact CG2-CZ2 3.28Å; I691-W704 HydrophobicContact CG2-CZ3 4.12Å; I691-W704 PolarHBondContact N-O 2.93Å; I691-W704 PolarHBondContact O-N 3.07Å; L693-W704 HydrophobicContact CB-CH2 3.97Å; L693-W704 HydrophobicContact CB-CZ3 3.78Å; W704-N706 PolarHBondContact NE1-OD1 3.37Å; W704-V727 HydrophobicContact CB-CG1 4.07Å; W704-V727 HydrophobicContact CG-CG1 4.26Å; W704-E728 WeakPolarHBondContact CA-O 3.5Å; W704-E728 VanDerWaalsContact CB-O 3.23Å; W704-E728 WeakPolarHBondContact CB-O 3.28Å; W704-I729 HydrophobicContact CB-CB 4.37Å; W704-I729 HydrophobicContact CB-CG1 3.87Å; W704-I729 HydrophobicContact CE3-CG2 4.13Å; W704-I729 HydrophobicContact CG-CG1 4.19Å
705T96.4Very high89.9Confident69 Ų6932.3 Ų32.342%0.42317%0.172SC..  trans-122.7142.6170-54.60000108.6V727T705-V727 WeakPolarHBondContact O-CG1 3.42Å; T705-V727 WeakPolarHBondContact O-CG2 3.36Å
706N95.8Very high87.7Confident13 Ų1337.3 Ų37.37%0.0720%0.203CC..PPolyproline II helixtrans-72.5154.2-179.7-76.8-23.4000112.4Y582 P687 W704Y582-N706 WeakPolarHBondContact CE2-ND2 3.33Å; Y582-N706 VanDerWaalsContact CZ-ND2 3.25Å; Y582-N706 PolarHBondContact OH-ND2 3.14Å; P687-N706 HydrophobicContact CB-CB 4.38Å; P687-N706 HydrophobicContact CG-CB 3.77Å; W704-N706 PolarHBondContact NE1-OD1 3.37Å
707P95.9Very high85.9Confident7 Ų736.8 Ų36.85%0.04521%0.209CC..PPolyproline II helixtrans-68159.217830.7-35.8000111.7V613 P687 Q723 V727 F742V613-P707 HydrophobicContact CG2-CG 4.37Å; P687-P707 WeakPolarHBondContact CD-O 3.3Å; P687-P707 WeakPolarHBondContact CG-O 3.3Å; P707-Q723 HydrophobicContact CG-CB 4.46Å; P707-V727 HydrophobicContact CB-CG2 4.16Å; P707-V727 HydrophobicContact CG-CG2 4.38Å; P707-F742 HydrophobicContact CB-CB 4.41Å; P707-F742 HydrophobicContact CB-CD1 4.31Å; P707-F742 HydrophobicContact CB-CD2 4.02Å; P707-F742 HydrophobicContact CB-CE2 4.38Å; P707-F742 HydrophobicContact CB-CG 4.01Å; P707-F742 HydrophobicContact CG-CD1 4.11Å; P707-F742 HydrophobicContact CG-CD2 4.23Å; P707-F742 HydrophobicContact CG-CE1 3.98Å; P707-F742 HydrophobicContact CG-CE2 4.13Å; P707-F742 HydrophobicContact CG-CG 4.23Å; P707-F742 HydrophobicContact CG-CZ 4Å
708T92.9Very high84.5Confident28 Ų2837.1 Ų37.117%0.17221%0.208CC..EExtended strand (participates in β ladder)trans-70.3135.5173.7-63.40000109.5E684 Q723 Y724E684-T708 HydrophobicContact CB-CG2 4.29Å; T708-Q723 VanDerWaalsContact O-CA 3.29Å; T708-Q723 WeakPolarHBondContact O-CA 3.04Å; T708-Y724 HydrophobicContact CG2-CE2 4.26Å; T708-Y724 PolarHBondContact N-O 3.05Å; T708-Y724 PolarHBondContact O-N 3.28Å
709C90.8Very high83.6Confident27 Ų2737.3 Ų37.318%0.18221%0.21CC..EExtended strand (participates in β ladder)trans-100.5134.4173.2179.10000109.3E684 A685 E722 Q723E684-C709 CarbonylContact C-O 3.6Å; E684-C709 WeakPolarHBondContact CA-O 3.23Å; A685-C709 HydrophobicContact CB-CB 4.47Å; A685-C709 PolarHBondContact N-O 2.88Å; A685-C709 PolarHBondContact O-N 3.25Å; C709-E722 CarbonylContact C-O 3.52Å; C709-E722 WeakPolarHBondContact CA-O 3.31Å; C709-Q723 HydrophobicContact CB-CG 4.44Å
710C86Confident82.8Confident4 Ų431.4 Ų31.43%0.02718%0.178CC..EExtended strand (participates in β ladder)trans-123.9130.2176.9-171.80000110.1V683 E684 I721 E722 Y724V683-C710 CarbonylContact O-C 3.5Å; V683-C710 WeakPolarHBondContact O-CA 3.04Å; E684-C710 HydrophobicContact CG-CB 4.42Å; C710-I721 CarbonylContact O-C 3.54Å; C710-I721 WeakPolarHBondContact O-CA 3.18Å; C710-E722 HydrophobicContact CB-CB 4.45Å; C710-E722 PolarHBondContact N-O 3.43Å; C710-E722 PolarHBondContact O-N 2.94Å; C710-Y724 HydrophobicContact CB-CE1 3.62Å
711V82.4Confident82.3Confident33 Ų3331.2 Ų31.220%0.218%0.177CC..EExtended strand (participates in β ladder)trans-104.5112.7173.9-170.90000107.7S682 V683 L719 I721S682-V711 CarbonylContact C-O 3.57Å; S682-V711 VanDerWaalsContact CA-O 3.22Å; S682-V711 WeakPolarHBondContact CA-O 3.4Å; S682-V711 WeakPolarHBondContact CB-O 3.32Å; V683-V711 PolarHBondContact N-O 3.06Å; V683-V711 PolarHBondContact O-N 2.9Å; V711-L719 HydrophobicContact CG1-CD2 4.01Å; V711-I721 HydrophobicContact CG2-CG1 4.27Å
712H80.8Confident81.9Confident18 Ų1831.5 Ų31.58%0.08318%0.178CC..EExtended strand (participates in β ladder)trans-88.6160.1-179.6-63.4-94.3000111.5S682 I714 W720 E722S682-H712 PolarHBondContact OG-ND1 3.09Å; S682-H712 VanDerWaalsContact OG-ND1 3.13Å; H712-I714 VanDerWaalsContact C-N 3.34Å; H712-I714 PolarHBondContact O-N 3.35Å; H712-W720 HydrophobicContact CB-CD2 4Å; H712-W720 VanDerWaalsContact CB-CE2 3.45Å; H712-W720 HydrophobicContact CB-CG 4.24Å; H712-W720 HydrophobicContact CB-CZ2 3.78Å; H712-W720 AromaticContact CD2-CD2 3.93Å; H712-W720 AromaticContact CD2-CE2 3.74Å; H712-W720 AromaticContact CD2-CE3 3.89Å; H712-W720 AromaticContact CD2-CH2 3.42Å; H712-W720 VanDerWaalsContact CD2-CH2 3.42Å; H712-W720 WeakPolarHBondContact CD2-CH2 3.39Å; H712-W720 AromaticContact CD2-CZ2 3.48Å; H712-W720 VanDerWaalsContact CD2-CZ2 3.48Å; H712-W720 WeakPolarHBondContact CD2-CZ2 3.44Å; H712-W720 AromaticContact CD2-CZ3 3.66Å; H712-W720 AromaticContact CE1-CH2 3.95Å; H712-W720 AromaticContact CG-CE2 3.58Å; H712-W720 AromaticContact CG-CH2 3.83Å; H712-W720 AromaticContact CG-CZ2 3.39Å; H712-W720 PolarHBondContact N-O 3.3Å; H712-W720 AromaticContact ND1-CZ2 3.76Å; H712-W720 AromaticContact NE2-CH2 3.55Å; H712-W720 AromaticContact NE2-CZ2 3.93Å; H712-W720 AromaticContact NE2-CZ3 3.97Å; H712-E722 IonicContact CE1-OE2 2.97Å; H712-E722 IonicContact NE2-OE2 3.58Å; H712-E722 PolarHBondContact NE2-OE2 3.29Å
713N72.4Confident81.6Confident8 Ų831.7 Ų31.74%0.04318%0.179CC..  trans59.638.7175.9-60.1-22.7000113.4K681 I715 V716 K718 L719 M815K681-N713 WeakPolarHBondContact O-CA 3.35Å; K681-N713 PolarHBondContact O-N 3.36Å; N713-I715 VanDerWaalsContact C-N 3.25Å; N713-I715 PolarHBondContact O-N 3Å; N713-V716 WeakPolarHBondContact CB-O 3.41Å; N713-K718 WeakPolarHBondContact CB-O 3.42Å; N713-K718 PolarHBondContact ND2-O 2.96Å; N713-L719 WeakPolarHBondContact O-CD2 3.34Å; N713-M815 PolarHBondContact ND2-O 2.97Å
714I62.7Low81.4Confident42 Ų4233.6 Ų33.622%0.21519%0.186CC..SBendtrans-69.8-20.7-175.2-147173.8000113.7I548 F678 K681 V683 H712 L719I548-I714 WeakPolarHBondContact CD1-O 3.5Å; I548-I714 WeakPolarHBondContact CG2-O 3.4Å; F678-I714 HydrophobicContact CD2-CG2 4.35Å; F678-I714 HydrophobicContact CE2-CG2 3.71Å; K681-I714 PolarHBondContact O-N 3.44Å; V683-I714 HydrophobicContact CB-CD1 3.88Å; V683-I714 HydrophobicContact CG2-CD1 3.32Å; V683-I714 HydrophobicContact CG2-CG2 4.25Å; H712-I714 VanDerWaalsContact C-N 3.34Å; H712-I714 PolarHBondContact O-N 3.35Å; I714-L719 HydrophobicContact CB-CD2 4.44Å; I714-L719 HydrophobicContact CG1-CD2 4.25Å
715I55.9Low81.2Confident55 Ų5534.4 Ų34.428%0.28220%0.196SC..SBendtrans-93-51.9177.6-50-177.6000111W549 F678 G680 N713W549-I715 HydrophobicContact CE3-CG2 4.1Å; W549-I715 HydrophobicContact CZ3-CG2 4.46Å; F678-I715 HydrophobicContact CZ-CD1 4.06Å; F678-I715 HydrophobicContact CZ-CG1 4.38Å; G680-I715 WeakPolarHBondContact O-CD1 3.43Å; N713-I715 VanDerWaalsContact C-N 3.25Å; N713-I715 PolarHBondContact O-N 3Å
716V52.9Low81.1Confident106 Ų10636.9 Ų36.964%0.64221%0.206SC*.SBendtrans-147.3140.2-174.9179.40000109.3N713N713-V716 WeakPolarHBondContact CB-O 3.41Å
717G58.4Low81.2Confident35 Ų3536.4 Ų36.436%0.36120%0.204SC..SBendtrans107.8178.4178.600000113L719 E814G717-L719 PolarHBondContact O-N 3.03Å; G717-E814 WeakPolarHBondContact CA-OE1 2.82Å
718K66.9Low81.3Confident138 Ų13840.1 Ų40.160%0.622%0.221SC*.  trans-71.4120.1175.9-174.9177.7177.9-178.10109.9N713 W720 E814N713-K718 WeakPolarHBondContact CB-O 3.42Å; N713-K718 PolarHBondContact ND2-O 2.96Å; K718-W720 PolarHBondContact O-N 3.47Å; K718-E814 PolarHBondContact N-OE1 3.15Å
719L76.4Confident81.6Confident41 Ų4138.8 Ų38.822%0.21521%0.213CC..  trans-61.2131.8172.5-69.3167000110.3I548 T620 V711 N713 I714 G717I548-L719 HydrophobicContact CD1-CD1 4.15Å; I548-L719 HydrophobicContact CD1-CD2 4.42Å; T620-L719 HydrophobicContact CG2-CB 3.68Å; V711-L719 HydrophobicContact CG1-CD2 4.01Å; N713-L719 WeakPolarHBondContact O-CD2 3.34Å; I714-L719 HydrophobicContact CB-CD2 4.44Å; I714-L719 HydrophobicContact CG1-CD2 4.25Å; G717-L719 PolarHBondContact O-N 3.03Å
720W81.4Confident82Confident9 Ų940.4 Ų40.43%0.03422%0.219CC..EExtended strand (participates in β ladder)trans-144.2158.8170.965.2-86000110.6H712 K718 E722 C745 L752 M817H712-W720 HydrophobicContact CB-CD2 4Å; H712-W720 VanDerWaalsContact CB-CE2 3.45Å; H712-W720 HydrophobicContact CB-CG 4.24Å; H712-W720 HydrophobicContact CB-CZ2 3.78Å; H712-W720 AromaticContact CD2-CD2 3.93Å; H712-W720 AromaticContact CD2-CE2 3.74Å; H712-W720 AromaticContact CD2-CE3 3.89Å; H712-W720 AromaticContact CD2-CH2 3.42Å; H712-W720 VanDerWaalsContact CD2-CH2 3.42Å; H712-W720 WeakPolarHBondContact CD2-CH2 3.39Å; H712-W720 AromaticContact CD2-CZ2 3.48Å; H712-W720 VanDerWaalsContact CD2-CZ2 3.48Å; H712-W720 WeakPolarHBondContact CD2-CZ2 3.44Å; H712-W720 AromaticContact CD2-CZ3 3.66Å; H712-W720 AromaticContact CE1-CH2 3.95Å; H712-W720 AromaticContact CG-CE2 3.58Å; H712-W720 AromaticContact CG-CH2 3.83Å; H712-W720 AromaticContact CG-CZ2 3.39Å; H712-W720 PolarHBondContact N-O 3.3Å; H712-W720 AromaticContact ND1-CZ2 3.76Å; H712-W720 AromaticContact NE2-CH2 3.55Å; H712-W720 AromaticContact NE2-CZ2 3.93Å; H712-W720 AromaticContact NE2-CZ3 3.97Å; K718-W720 PolarHBondContact O-N 3.47Å; W720-E722 HydrophobicContact CE3-CB 4.41Å; W720-E722 HydrophobicContact CH2-CB 4.34Å; W720-E722 HydrophobicContact CZ3-CB 3.71Å; W720-E722 HydrophobicContact CZ3-CG 4.35Å; W720-C745 HydrophobicContact CH2-CB 4.43Å; W720-L752 HydrophobicContact CH2-CD1 4.37Å; W720-L752 HydrophobicContact CZ3-CD1 3.76Å; W720-M817 HydrophobicContact CB-CG 3.96Å; W720-M817 HydrophobicContact CB-SD 3.56Å; W720-M817 VanDerWaalsContact CB-SD 3.56Å; W720-M817 HydrophobicContact CD2-CG 4.22Å; W720-M817 HydrophobicContact CG-CG 3.77Å; W720-M817 HydrophobicContact CG-SD 4.05Å
721I86.6Confident82.5Confident5 Ų540.2 Ų40.23%0.02622%0.218CC..EExtended strand (participates in β ladder)trans-115135-172.4-69.3171.1000109.4Q616 R619 T620 C710 V711Q616-I721 VanDerWaalsContact O-CD1 3.29Å; Q616-I721 WeakPolarHBondContact O-CD1 3.27Å; R619-I721 VanDerWaalsContact O-CD1 3.27Å; R619-I721 WeakPolarHBondContact O-CD1 3.4Å; T620-I721 HydrophobicContact CG2-CD1 4.39Å; T620-I721 HydrophobicContact CG2-CG1 4.46Å; C710-I721 CarbonylContact O-C 3.54Å; C710-I721 WeakPolarHBondContact O-CA 3.18Å; V711-I721 HydrophobicContact CG2-CG1 4.27Å
722E89.6Confident83.3Confident8 Ų841.8 Ų41.84%0.03722%0.222CC..EExtended strand (participates in β ladder)trans-119151.7169.5-170.9163.9-149.500110.6C709 C710 H712 W720 Y724 P744 C745C709-E722 CarbonylContact C-O 3.52Å; C709-E722 WeakPolarHBondContact CA-O 3.31Å; C710-E722 HydrophobicContact CB-CB 4.45Å; C710-E722 PolarHBondContact N-O 3.43Å; C710-E722 PolarHBondContact O-N 2.94Å; H712-E722 IonicContact CE1-OE2 2.97Å; H712-E722 IonicContact NE2-OE2 3.58Å; H712-E722 PolarHBondContact NE2-OE2 3.29Å; W720-E722 HydrophobicContact CE3-CB 4.41Å; W720-E722 HydrophobicContact CH2-CB 4.34Å; W720-E722 HydrophobicContact CZ3-CB 3.71Å; W720-E722 HydrophobicContact CZ3-CG 4.35Å; E722-Y724 HydrophobicContact CG-CD1 4.15Å; E722-P744 VanDerWaalsContact OE1-C 3.3Å; E722-P744 VanDerWaalsContact OE1-CA 3.27Å; E722-P744 WeakPolarHBondContact OE1-CA 3.38Å; E722-C745 WeakPolarHBondContact OE1-CA 3.34Å; E722-C745 VanDerWaalsContact OE1-CB 3.23Å; E722-C745 WeakPolarHBondContact OE1-CB 3.42Å; E722-C745 PolarHBondContact OE1-N 2.84Å
723Q92.7Very high84Confident5 Ų547 Ų472%0.02325%0.245CC..EExtended strand (participates in β ladder)trans-126.9130.8165.3-64.4-178.251.300109.9V613 P707 T708 C709 F742 W774V613-Q723 PolarHBondContact O-NE2 3.24Å; P707-Q723 HydrophobicContact CG-CB 4.46Å; T708-Q723 VanDerWaalsContact O-CA 3.29Å; T708-Q723 WeakPolarHBondContact O-CA 3.04Å; C709-Q723 HydrophobicContact CB-CG 4.44Å; Q723-F742 HydrophobicContact CB-CD1 4.31Å; Q723-W774 HydrophobicContact CB-CZ2 4.19Å; Q723-W774 HydrophobicContact CG-CH2 4.32Å; Q723-W774 HydrophobicContact CG-CZ2 4.07Å; Q723-W774 VanDerWaalsContact NE2-CZ3 3.28Å
724Y93.7Very high85.1Confident48 Ų4848.4 Ų48.419%0.18825%0.254CS..EExtended strand (participates in β ladder)trans-144.8163.4177.960.7-93.6000111.9E684 T708 C710 E722 F742 P744E684-Y724 VanDerWaalsContact CG-OH 3.23Å; E684-Y724 WeakPolarHBondContact CG-OH 3.41Å; E684-Y724 PolarHBondContact OE1-OH 3.08Å; T708-Y724 HydrophobicContact CG2-CE2 4.26Å; T708-Y724 PolarHBondContact N-O 3.05Å; T708-Y724 PolarHBondContact O-N 3.28Å; C710-Y724 HydrophobicContact CB-CE1 3.62Å; E722-Y724 HydrophobicContact CG-CD1 4.15Å; Y724-F742 WeakPolarHBondContact CA-O 3.25Å; Y724-P744 HydrophobicContact CG-CB 4.4Å
725G94.1Very high86.6Confident23 Ų2347.7 Ų47.724%0.23726%0.257CS..EExtended strand (participates in β ladder)trans124.2174.1179.900000112.3F742G725-F742 PolarHBondContact N-O 3.39Å; G725-F742 VanDerWaalsContact N-O 3.11Å; G725-F742 WeakPolarHBondContact O-CB 3.48Å; G725-F742 PolarHBondContact O-N 3.11Å
726N95.8Very high88.5Confident122 Ų12245.9 Ų45.965%0.65225%0.248SC*.EExtended strand (participates in β ladder)trans-103.2124.6-177.4-56.7-29.2000108.9L740 N741N726-L740 WeakPolarHBondContact CA-O 3.2Å; N726-N741 PolarHBondContact OD1-OD1 3.32Å; N726-N741 VanDerWaalsContact OD1-OD1 3.05Å
727V97.9Very high90.6Very high3 Ų343.2 Ų43.22%0.01823%0.228CC..EExtended strand (participates in β ladder)trans-106.6122174.7176.50000107.6W704 T705 P707 I729 L740 F742W704-V727 HydrophobicContact CB-CG1 4.07Å; W704-V727 HydrophobicContact CG-CG1 4.26Å; T705-V727 WeakPolarHBondContact O-CG1 3.42Å; T705-V727 WeakPolarHBondContact O-CG2 3.36Å; P707-V727 HydrophobicContact CB-CG2 4.16Å; P707-V727 HydrophobicContact CG-CG2 4.38Å; V727-I729 HydrophobicContact CG1-CG1 4.18Å; V727-L740 HydrophobicContact CB-CB 4.19Å; V727-L740 PolarHBondContact N-O 2.97Å; V727-L740 PolarHBondContact O-N 3.02Å; V727-F742 HydrophobicContact CB-CE2 4.3Å; V727-F742 HydrophobicContact CG2-CD2 3.95Å; V727-F742 HydrophobicContact CG2-CE2 3.65Å
728E97.8Very high92.6Very high85 Ų8541.5 Ų41.540%0.39721%0.21SC..EExtended strand (participates in β ladder)trans-110.3121172.4-62.6-157.6158.300109.6W704 K737 C738 V739W704-E728 WeakPolarHBondContact CA-O 3.5Å; W704-E728 VanDerWaalsContact CB-O 3.23Å; W704-E728 WeakPolarHBondContact CB-O 3.28Å; E728-K737 IonicContact OE1-NZ 3.58Å; E728-K737 PolarHBondContact OE1-NZ 2.97Å; E728-K737 IonicContact OE2-NZ 3.89Å; E728-K737 PolarHBondContact OE2-NZ 3.37Å; E728-C738 CarbonylContact C-O 3.58Å; E728-C738 WeakPolarHBondContact CA-O 3.34Å; E728-V739 HydrophobicContact CG-CG2 4.42Å
729I98.6Very high94Very high0 Ų035.2 Ų35.20%018%0.184CC..EExtended strand (participates in β ladder)trans-105122.4176-48.3171000107.6M602 V605 A606 A609 Y702 T703 W704 V727 K737 C738 L740M602-I729 HydrophobicContact SD-CB 4.26Å; M602-I729 HydrophobicContact SD-CG2 3.97Å; V605-I729 HydrophobicContact CG1-CG2 3.95Å; A606-I729 HydrophobicContact CB-CD1 3.99Å; A609-I729 HydrophobicContact CB-CD1 3.84Å; Y702-I729 HydrophobicContact CD1-CG2 4.24Å; T703-I729 WeakPolarHBondContact O-CA 3.3Å; W704-I729 HydrophobicContact CB-CB 4.37Å; W704-I729 HydrophobicContact CB-CG1 3.87Å; W704-I729 HydrophobicContact CE3-CG2 4.13Å; W704-I729 HydrophobicContact CG-CG1 4.19Å; V727-I729 HydrophobicContact CG1-CG1 4.18Å; I729-K737 CarbonylContact O-C 3.59Å; I729-K737 WeakPolarHBondContact O-CA 3.3Å; I729-C738 HydrophobicContact CB-CB 4.1Å; I729-C738 HydrophobicContact CD1-CB 4.39Å; I729-C738 PolarHBondContact N-O 3.41Å; I729-C738 PolarHBondContact O-N 3.14Å; I729-L740 HydrophobicContact CD1-CD1 4.03Å
730I98.3Very high95.1Very high61 Ų6133.3 Ų33.331%0.31317%0.173SC..EExtended strand (participates in β ladder)trans-115.1123.5-176.3-59.6169.6000108.7Y702 T703 K737Y702-I730 VanDerWaalsContact CA-O 3.24Å; Y702-I730 WeakPolarHBondContact CA-O 3.33Å; T703-I730 PolarHBondContact N-O 2.99Å; T703-I730 VanDerWaalsContact N-O 3.14Å; T703-I730 PolarHBondContact O-N 2.73Å; T703-I730 VanDerWaalsContact O-N 3.08Å; I730-K737 HydrophobicContact CG1-CD 4.23Å; I730-K737 HydrophobicContact CG1-CG 4.17Å
731N98.2Very high95.8Very high0 Ų034.6 Ų34.60%018%0.181CC..EExtended strand (participates in β ladder)trans-84.4114.2165.6-176-30.9000109M602 E700 A701 Y702 K733 T734 G735 D736M602-N731 HydrophobicContact CE-CB 3.66Å; E700-N731 PolarHBondContact OE2-ND2 3.41Å; A701-N731 WeakPolarHBondContact O-CA 3.36Å; Y702-N731 HydrophobicContact CD1-CB 3.9Å; Y702-N731 HydrophobicContact CE1-CB 3.7Å; Y702-N731 WeakPolarHBondContact CE1-ND2 3.22Å; Y702-N731 PolarHBondContact OH-ND2 3.5Å; N731-K733 VanDerWaalsContact C-N 3.3Å; N731-K733 PolarHBondContact O-N 3.17Å; N731-K733 WeakPolarHBondContact OD1-CB 3.39Å; N731-K733 PolarHBondContact OD1-N 3.06Å; N731-T734 VanDerWaalsContact CG-OG1 3.29Å; N731-T734 PolarHBondContact ND2-OG1 3.44Å; N731-T734 PolarHBondContact OD1-N 2.99Å; N731-G735 VanDerWaalsContact O-CA 3.24Å; N731-G735 WeakPolarHBondContact O-CA 3.25Å; N731-G735 PolarHBondContact O-N 3.46Å; N731-D736 HydrophobicContact CB-CB 4.48Å; N731-D736 PolarHBondContact N-O 3.23Å
732H97.6Very high96.3Very high65 Ų6534.6 Ų34.630%0.30118%0.181SC..THydrogen-bonded Turntrans-74.7-17.6-174.3-70.6-82.6000114.3A701 T703 Y925A701-H732 PolarHBondContact O-CD2 3.4Å; A701-H732 PolarHBondContact O-N 3.02Å; T703-H732 VanDerWaalsContact CG2-NE2 3.32Å; T703-H732 WeakPolarHBondContact CG2-NE2 3.49Å; T703-H732 PolarHBondContact OG1-NE2 3.3Å; H732-Y925 HydrophobicContact CB-CD1 4.24Å; H732-Y925 PolarHBondContact CE1-O 2.78Å
733K96.4Very high96.4Very high127 Ų12736.9 Ų36.955%0.55219%0.191SC*.THydrogen-bonded Turntrans-85.3-51.4177.2-170.5-169.4-172.5-176.10111.7H698 E700 N731H698-K733 PolarHBondContact O-NZ 3.2Å; E700-K733 HydrophobicContact CG-CB 3.83Å; E700-K733 HydrophobicContact CG-CD 3.36Å; E700-K733 HydrophobicContact CG-CG 4.25Å; N731-K733 VanDerWaalsContact C-N 3.3Å; N731-K733 PolarHBondContact O-N 3.17Å; N731-K733 WeakPolarHBondContact OD1-CB 3.39Å; N731-K733 PolarHBondContact OD1-N 3.06Å
734T95.5Very high96.2Very high38 Ų3840 Ų4023%0.23321%0.212CC..THydrogen-bonded Turntrans-85.6-27.6-175.866.70000112.4P598 N731 D736P598-T734 HydrophobicContact CB-CG2 4Å; P598-T734 HydrophobicContact CG-CG2 4.29Å; N731-T734 VanDerWaalsContact CG-OG1 3.29Å; N731-T734 PolarHBondContact ND2-OG1 3.44Å; N731-T734 PolarHBondContact OD1-N 2.99Å; T734-D736 VanDerWaalsContact C-N 3.27Å; T734-D736 VanDerWaalsContact CB-OD2 3.27Å; T734-D736 WeakPolarHBondContact CB-OD2 3.37Å; T734-D736 WeakPolarHBondContact OG1-CB 3.4Å; T734-D736 PolarHBondContact OG1-N 3.41Å; T734-D736 VanDerWaalsContact OG1-N 3.17Å; T734-D736 PolarHBondContact OG1-OD2 3.22Å
735G94.8Very high95.3Very high28 Ų2838.6 Ų38.629%0.28921%0.209SC..  trans807.2-170.400000113.5N731N731-G735 VanDerWaalsContact O-CA 3.24Å; N731-G735 WeakPolarHBondContact O-CA 3.25Å; N731-G735 PolarHBondContact O-N 3.46Å
736D95.2Very high94.2Very high17 Ų1740 Ų409%0.09122%0.223CC..  trans-66.2144.5173.5-60.1-38.7000110.2M602 N731 T734 Q760 D761M602-D736 HydrophobicContact CE-CB 4.08Å; M602-D736 WeakPolarHBondContact CE-O 3.37Å; N731-D736 HydrophobicContact CB-CB 4.48Å; N731-D736 PolarHBondContact N-O 3.23Å; T734-D736 VanDerWaalsContact C-N 3.27Å; T734-D736 VanDerWaalsContact CB-OD2 3.27Å; T734-D736 WeakPolarHBondContact CB-OD2 3.37Å; T734-D736 WeakPolarHBondContact OG1-CB 3.4Å; T734-D736 PolarHBondContact OG1-N 3.41Å; T734-D736 VanDerWaalsContact OG1-N 3.17Å; T734-D736 PolarHBondContact OG1-OD2 3.22Å; D736-Q760 WeakPolarHBondContact CA-O 3.38Å; D736-D761 WeakPolarHBondContact OD1-CA 3.41Å
737K97.9Very high92.2Very high49 Ų4942.1 Ų42.121%0.21323%0.233CC..EExtended strand (participates in β ladder)trans-130.1129.9-178.4-167171.882.81540111E728 I729 I730 V739 Q760E728-K737 IonicContact OE1-NZ 3.58Å; E728-K737 PolarHBondContact OE1-NZ 2.97Å; E728-K737 IonicContact OE2-NZ 3.89Å; E728-K737 PolarHBondContact OE2-NZ 3.37Å; I729-K737 CarbonylContact O-C 3.59Å; I729-K737 WeakPolarHBondContact O-CA 3.3Å; I730-K737 HydrophobicContact CG1-CD 4.23Å; I730-K737 HydrophobicContact CG1-CG 4.17Å; K737-V739 HydrophobicContact CG-CG2 4.48Å; K737-Q760 HydrophobicContact CB-CG 4Å; K737-Q760 PolarHBondContact N-O 3.28Å; K737-Q760 VanDerWaalsContact O-CG 3.27Å; K737-Q760 WeakPolarHBondContact O-CG 3.46Å; K737-Q760 PolarHBondContact O-N 3.19Å
738C98.5Very high90.3Very high0 Ų050.3 Ų50.30%027%0.269CS..EExtended strand (participates in β ladder)trans-101.1132.9165.6-174.50000109.6M602 E728 I729 Y758 I759 L770M602-C738 HydrophobicContact CG-CB 3.89Å; M602-C738 HydrophobicContact SD-CB 3.67Å; E728-C738 CarbonylContact C-O 3.58Å; E728-C738 WeakPolarHBondContact CA-O 3.34Å; I729-C738 HydrophobicContact CB-CB 4.1Å; I729-C738 HydrophobicContact CD1-CB 4.39Å; I729-C738 PolarHBondContact N-O 3.41Å; I729-C738 PolarHBondContact O-N 3.14Å; C738-Y758 WeakPolarHBondContact CA-O 3.3Å; C738-I759 HydrophobicContact CB-CG1 4.04Å; C738-L770 VanDerWaalsContact SG-CD1 3.5Å
739V98.1Very high88.7Confident6 Ų646.5 Ų46.54%0.03625%0.253CS..EExtended strand (participates in β ladder)trans-114.9121.5173.3-178.70000107.6E728 K737 G757 Y758E728-V739 HydrophobicContact CG-CG2 4.42Å; K737-V739 HydrophobicContact CG-CG2 4.48Å; V739-G757 CarbonylContact O-C 3.45Å; V739-G757 WeakPolarHBondContact O-CA 3.46Å; V739-Y758 HydrophobicContact CB-CE1 4.28Å; V739-Y758 HydrophobicContact CB-CE2 4.23Å; V739-Y758 HydrophobicContact CG2-CE2 4.08Å; V739-Y758 PolarHBondContact N-O 3.45Å; V739-Y758 PolarHBondContact O-N 3.08Å
740L98.3Very high87.4Confident0 Ų053 Ų530%028%0.281CS..EExtended strand (participates in β ladder)trans-118.9125.7176.9-65.9168.3000109A606 V610 N726 V727 I729 F742 V755 L770A606-L740 HydrophobicContact CB-CD1 4.27Å; V610-L740 HydrophobicContact CG2-CD1 3.78Å; N726-L740 WeakPolarHBondContact CA-O 3.2Å; V727-L740 HydrophobicContact CB-CB 4.19Å; V727-L740 PolarHBondContact N-O 2.97Å; V727-L740 PolarHBondContact O-N 3.02Å; I729-L740 HydrophobicContact CD1-CD1 4.03Å; L740-F742 HydrophobicContact CB-CE2 4.31Å; L740-V755 HydrophobicContact CB-CG1 4.34Å; L740-V755 HydrophobicContact CD2-CG1 4.07Å; L740-L770 HydrophobicContact CD2-CB 4.26Å; L740-L770 HydrophobicContact CD2-CD1 3.81Å
741N97Very high86.5Confident37 Ų3753.1 Ų53.120%0.19828%0.28CS..EExtended strand (participates in β ladder)trans-110111.1177.8-48.8-70000108.7N726 K743 V755 E756N726-N741 PolarHBondContact OD1-OD1 3.32Å; N726-N741 VanDerWaalsContact OD1-OD1 3.05Å; N741-K743 PolarHBondContact O-N 3.47Å; N741-V755 WeakPolarHBondContact O-CA 3.34Å; N741-E756 WeakPolarHBondContact CA-O 3.47Å; N741-E756 WeakPolarHBondContact CB-O 3.35Å; N741-E756 PolarHBondContact N-O 3.12Å; N741-E756 PolarHBondContact ND2-O 3.18Å; N741-E756 PolarHBondContact O-N 3.37Å
742F96.4Very high85.8Confident5 Ų553.3 Ų53.32%0.02228%0.281CS..EExtended strand (participates in β ladder)trans-80.9111.7170.4-70.8-110.4000107.5V610 V613 P707 Q723 Y724 G725 V727 L740 V755 W774V610-F742 HydrophobicContact CG2-CZ 4.07Å; V613-F742 HydrophobicContact CG2-CE1 4.12Å; V613-F742 HydrophobicContact CG2-CZ 4.3Å; P707-F742 HydrophobicContact CB-CB 4.41Å; P707-F742 HydrophobicContact CB-CD1 4.31Å; P707-F742 HydrophobicContact CB-CD2 4.02Å; P707-F742 HydrophobicContact CB-CE2 4.38Å; P707-F742 HydrophobicContact CB-CG 4.01Å; P707-F742 HydrophobicContact CG-CD1 4.11Å; P707-F742 HydrophobicContact CG-CD2 4.23Å; P707-F742 HydrophobicContact CG-CE1 3.98Å; P707-F742 HydrophobicContact CG-CE2 4.13Å; P707-F742 HydrophobicContact CG-CG 4.23Å; P707-F742 HydrophobicContact CG-CZ 4Å; Q723-F742 HydrophobicContact CB-CD1 4.31Å; Y724-F742 WeakPolarHBondContact CA-O 3.25Å; G725-F742 PolarHBondContact N-O 3.39Å; G725-F742 VanDerWaalsContact N-O 3.11Å; G725-F742 WeakPolarHBondContact O-CB 3.48Å; G725-F742 PolarHBondContact O-N 3.11Å; V727-F742 HydrophobicContact CB-CE2 4.3Å; V727-F742 HydrophobicContact CG2-CD2 3.95Å; V727-F742 HydrophobicContact CG2-CE2 3.65Å; L740-F742 HydrophobicContact CB-CE2 4.31Å; F742-V755 HydrophobicContact CD1-CG2 3.72Å; F742-V755 HydrophobicContact CE1-CG2 3.75Å; F742-V755 HydrophobicContact CE2-CG1 4.38Å; F742-V755 HydrophobicContact CG-CG2 4.15Å; F742-V755 HydrophobicContact CZ-CG2 4.2Å; F742-W774 HydrophobicContact CD1-CB 4.35Å; F742-W774 AromaticContact CD1-CD1 3.78Å; F742-W774 HydrophobicContact CD1-CG 4.21Å; F742-W774 HydrophobicContact CE1-CB 3.82Å; F742-W774 HydrophobicContact CE1-CG 4.09Å
743K91.7Very high85.5Confident55 Ų5550.4 Ų50.424%0.23927%0.268CS..  trans-78.8132.3-172.5-59.3-66.6-173.6176.70110.3N741 E751 K754 E756N741-K743 PolarHBondContact O-N 3.47Å; K743-E751 HydrophobicContact CB-CB 3.91Å; K743-K754 HydrophobicContact CB-CB 4.2Å; K743-K754 HydrophobicContact CG-CB 4.02Å; K743-K754 PolarHBondContact N-O 2.97Å; K743-E756 WeakPolarHBondContact CE-OE2 3.48Å; K743-E756 IonicContact NZ-OE2 3Å; K743-E756 PolarHBondContact NZ-OE2 3.2Å
744P88.3Confident85.3Confident72 Ų7247.1 Ų47.147%0.46825%0.253SS..  trans-70.6155.1167.331.9-34.2000110.3E722 Y724 G746 E751E722-P744 VanDerWaalsContact OE1-C 3.3Å; E722-P744 VanDerWaalsContact OE1-CA 3.27Å; E722-P744 WeakPolarHBondContact OE1-CA 3.38Å; Y724-P744 HydrophobicContact CG-CB 4.4Å; P744-G746 PolarHBondContact O-N 3.17Å; P744-G746 VanDerWaalsContact O-N 3.09Å; P744-E751 WeakPolarHBondContact O-CB 3.45Å
745C76.1Confident85.3Confident18 Ų1845.3 Ų45.312%0.12224%0.242CC..  trans-53.7-35.2-173.4-175.50000112.1W720 E722 G749 L752 P818W720-C745 HydrophobicContact CH2-CB 4.43Å; E722-C745 WeakPolarHBondContact OE1-CA 3.34Å; E722-C745 VanDerWaalsContact OE1-CB 3.23Å; E722-C745 WeakPolarHBondContact OE1-CB 3.42Å; E722-C745 PolarHBondContact OE1-N 2.84Å; C745-G749 CarbonylContact O-C 3.6Å; C745-G749 WeakPolarHBondContact O-CA 3.19Å; C745-G749 PolarHBondContact O-N 2.94Å; C745-L752 HydrophobicContact CB-CD1 3.99Å; C745-P818 WeakPolarHBondContact SG-CG 3.42Å
746G70.9Confident85.4Confident53 Ų5345.5 Ų45.555%0.54624%0.236SC..  trans67.1173.8-178.500000112.8P744 F748 G749P744-G746 PolarHBondContact O-N 3.17Å; P744-G746 VanDerWaalsContact O-N 3.09Å; G746-F748 PolarHBondContact O-N 3.31Å; G746-G749 PolarHBondContact O-N 3.08Å
747L52Low85.5Confident165 Ų16545 Ų4586%0.86424%0.235SC*.THydrogen-bonded Turntrans-61.1-19.6-174.1-68.6168.7000114.9
748F57.9Low85.5Confident175 Ų17545.7 Ų45.777%0.76824%0.236SC*.THydrogen-bonded Turntrans-1228.5-176-58.8-74.1000113.5G746 K750G746-F748 PolarHBondContact O-N 3.31Å; F748-K750 HydrophobicContact CB-CG 4.39Å; F748-K750 PolarHBondContact O-N 3.4Å
749G65.1Low85.5Confident5 Ų545.7 Ų45.75%0.05224%0.236CC..SBendtrans68.8-3.5174.900000117.8C745 G746 E751 L752 P818C745-G749 CarbonylContact O-C 3.6Å; C745-G749 WeakPolarHBondContact O-CA 3.19Å; C745-G749 PolarHBondContact O-N 2.94Å; G746-G749 PolarHBondContact O-N 3.08Å; G749-E751 PolarHBondContact O-N 3.16Å; G749-E751 VanDerWaalsContact O-N 3.16Å; G749-L752 WeakPolarHBondContact O-CB 3.41Å; G749-L752 PolarHBondContact O-N 2.97Å; G749-P818 VanDerWaalsContact CA-CG 3.47Å
750K70.4Confident85.4Confident138 Ų13846.5 Ų46.560%0.624%0.24SC*.THydrogen-bonded Turntrans-64.7-21.5-173.6-65.1-173.4178.5-175.80114.5F748 K754F748-K750 HydrophobicContact CB-CG 4.39Å; F748-K750 PolarHBondContact O-N 3.4Å; K750-K754 WeakPolarHBondContact O-CE 3.43Å; K750-K754 PolarHBondContact O-NZ 3.07Å; K750-K754 VanDerWaalsContact O-NZ 3.09Å
751E79.6Confident85.2Confident62 Ų6248.2 Ų48.229%0.2925%0.249SC..THydrogen-bonded Turntrans-1003.9-176.1-62.9-61119.700112.6K743 P744 G749 H753 K754K743-E751 HydrophobicContact CB-CB 3.91Å; P744-E751 WeakPolarHBondContact O-CB 3.45Å; G749-E751 PolarHBondContact O-N 3.16Å; G749-E751 VanDerWaalsContact O-N 3.16Å; E751-H753 PolarHBondContact O-N 3.47Å; E751-K754 WeakPolarHBondContact O-CB 3.33Å; E751-K754 PolarHBondContact O-N 2.73Å; E751-K754 IonicContact OE1-NZ 2.69Å; E751-K754 PolarHBondContact OE1-NZ 3.41Å; E751-K754 WeakPolarHBondContact OE2-CD 3.29Å; E751-K754 IonicContact OE2-NZ 3.29Å
752L83.8Confident85.1Confident5 Ų554.3 Ų54.33%0.02627%0.273CS..THydrogen-bonded Turntrans-53124.1-177-174.569.3000111.2W720 C745 G749 K754 P818W720-L752 HydrophobicContact CH2-CD1 4.37Å; W720-L752 HydrophobicContact CZ3-CD1 3.76Å; C745-L752 HydrophobicContact CB-CD1 3.99Å; G749-L752 WeakPolarHBondContact O-CB 3.41Å; G749-L752 PolarHBondContact O-N 2.97Å; L752-K754 PolarHBondContact O-N 3.2Å; L752-K754 VanDerWaalsContact O-N 3.13Å; L752-P818 HydrophobicContact CB-CG 4.4Å; L752-P818 HydrophobicContact CD2-CG 3.95Å
753H90.8Very high85Confident4 Ų459 Ų592%0.01931%0.307CS..THydrogen-bonded Turntrans63.84-179.7-45.9148.4000116.7W617 E751 V755 K773 W774 T775W617-H753 AromaticContact CE3-CE1 3.57Å; W617-H753 AromaticContact CE3-NE2 3.72Å; W617-H753 AromaticContact CH2-CE1 3.48Å; W617-H753 VanDerWaalsContact CH2-CE1 3.48Å; W617-H753 WeakPolarHBondContact CH2-CE1 3.27Å; W617-H753 AromaticContact CH2-NE2 3.98Å; W617-H753 AromaticContact CZ3-CE1 3.18Å; W617-H753 WeakPolarHBondContact CZ3-CE1 3.22Å; W617-H753 AromaticContact CZ3-NE2 3.3Å; W617-H753 VanDerWaalsContact CZ3-NE2 3.3Å; W617-H753 WeakPolarHBondContact CZ3-NE2 3.33Å; E751-H753 PolarHBondContact O-N 3.47Å; H753-V755 PolarHBondContact O-N 3.17Å; H753-K773 HydrophobicContact CB-CB 4.42Å; H753-K773 HydrophobicContact CB-CG 4.38Å; H753-K773 VanDerWaalsContact O-CA 3.23Å; H753-K773 WeakPolarHBondContact O-CA 3.44Å; H753-W774 AromaticContact CD2-CE2 3.79Å; H753-W774 AromaticContact CD2-CZ2 3.53Å; H753-W774 AromaticContact CD2-NE1 3.78Å; H753-W774 AromaticContact CG-NE1 3.96Å; H753-W774 PolarHBondContact O-N 3.03Å; H753-W774 VanDerWaalsContact O-N 3.16Å; H753-T775 HydrophobicContact CB-CG2 4.02Å; H753-T775 WeakPolarHBondContact ND1-CG2 3.34Å; H753-T775 PolarHBondContact ND1-OG1 3.34Å
754K93.2Very high85Confident57 Ų5764.1 Ų64.125%0.24833%0.329CS..EExtended strand (participates in β ladder)trans-66.7137.8-179.2-71.8-172.3-171.8165.90111K743 K750 E751 L752 G772 K773K743-K754 HydrophobicContact CB-CB 4.2Å; K743-K754 HydrophobicContact CG-CB 4.02Å; K743-K754 PolarHBondContact N-O 2.97Å; K750-K754 WeakPolarHBondContact O-CE 3.43Å; K750-K754 PolarHBondContact O-NZ 3.07Å; K750-K754 VanDerWaalsContact O-NZ 3.09Å; E751-K754 WeakPolarHBondContact O-CB 3.33Å; E751-K754 PolarHBondContact O-N 2.73Å; E751-K754 IonicContact OE1-NZ 2.69Å; E751-K754 PolarHBondContact OE1-NZ 3.41Å; E751-K754 WeakPolarHBondContact OE2-CD 3.29Å; E751-K754 IonicContact OE2-NZ 3.29Å; L752-K754 PolarHBondContact O-N 3.2Å; L752-K754 VanDerWaalsContact O-N 3.13Å; K754-G772 WeakPolarHBondContact CA-O 3.42Å; K754-K773 HydrophobicContact CG-CG 4.42Å
755V96.3Very high85.4Confident0 Ų067.2 Ų67.20%034%0.335CS..EExtended strand (participates in β ladder)trans-117.8123.9169.1-176.60000107.2V610 L740 N741 F742 H753 Y771 G772 W774 L778V610-V755 HydrophobicContact CG2-CG1 4.26Å; L740-V755 HydrophobicContact CB-CG1 4.34Å; L740-V755 HydrophobicContact CD2-CG1 4.07Å; N741-V755 WeakPolarHBondContact O-CA 3.34Å; F742-V755 HydrophobicContact CD1-CG2 3.72Å; F742-V755 HydrophobicContact CE1-CG2 3.75Å; F742-V755 HydrophobicContact CE2-CG1 4.38Å; F742-V755 HydrophobicContact CG-CG2 4.15Å; F742-V755 HydrophobicContact CZ-CG2 4.2Å; H753-V755 PolarHBondContact O-N 3.17Å; V755-Y771 CarbonylContact O-C 3.46Å; V755-Y771 VanDerWaalsContact O-CA 3.25Å; V755-Y771 WeakPolarHBondContact O-CA 3.14Å; V755-G772 PolarHBondContact N-O 3.02Å; V755-G772 PolarHBondContact O-N 3.3Å; V755-W774 HydrophobicContact CG2-CB 3.84Å; V755-W774 HydrophobicContact CG2-CG 4.39Å; V755-L778 HydrophobicContact CB-CD1 4.49Å; V755-L778 HydrophobicContact CG1-CD1 4.35Å
756E96.1Very high86.3Confident33 Ų3371.3 Ų71.315%0.15435%0.351CS..EExtended strand (participates in β ladder)trans-128.3135.3173.6-66.7-173.2140.400109.9N741 K743 L770 F786 K790N741-E756 WeakPolarHBondContact CA-O 3.47Å; N741-E756 WeakPolarHBondContact CB-O 3.35Å; N741-E756 PolarHBondContact N-O 3.12Å; N741-E756 PolarHBondContact ND2-O 3.18Å; N741-E756 PolarHBondContact O-N 3.37Å; K743-E756 WeakPolarHBondContact CE-OE2 3.48Å; K743-E756 IonicContact NZ-OE2 3Å; K743-E756 PolarHBondContact NZ-OE2 3.2Å; E756-L770 CarbonylContact C-O 3.54Å; E756-L770 WeakPolarHBondContact CA-O 3.47Å; E756-F786 HydrophobicContact CG-CZ 4.41Å; E756-K790 IonicContact OE1-NZ 3.85Å; E756-K790 PolarHBondContact OE1-NZ 3.39Å; E756-K790 IonicContact OE2-NZ 2.82Å; E756-K790 PolarHBondContact OE2-NZ 3.19Å
757G96.8Very high87.5Confident6 Ų671.2 Ų71.26%0.06234%0.338CS..EExtended strand (participates in β ladder)trans-159.5-176.3-176.400000113.8V739 L770V739-G757 CarbonylContact O-C 3.45Å; V739-G757 WeakPolarHBondContact O-CA 3.46Å; G757-L770 PolarHBondContact N-O 3.47Å; G757-L770 PolarHBondContact O-N 3.49Å
758Y97.9Very high89.5Confident63 Ų6364.2 Ų64.225%0.24730%0.303CS..EExtended strand (participates in β ladder)trans-155.1156.2174.654.6-91.2000110.5C738 V739 Q760 K766 C768C738-Y758 WeakPolarHBondContact CA-O 3.3Å; V739-Y758 HydrophobicContact CB-CE1 4.28Å; V739-Y758 HydrophobicContact CB-CE2 4.23Å; V739-Y758 HydrophobicContact CG2-CE2 4.08Å; V739-Y758 PolarHBondContact N-O 3.45Å; V739-Y758 PolarHBondContact O-N 3.08Å; Y758-Q760 HydrophobicContact CD2-CB 4.4Å; Y758-Q760 HydrophobicContact CE2-CG 4.31Å; Y758-K766 HydrophobicContact CD2-CD 4.21Å; Y758-K766 HydrophobicContact CD2-CG 3.89Å; Y758-K766 HydrophobicContact CE2-CG 4.39Å; Y758-K766 HydrophobicContact CG-CD 4.16Å; Y758-K766 HydrophobicContact CG-CG 4.28Å; Y758-C768 CarbonylContact C-O 3.53Å; Y758-C768 WeakPolarHBondContact CA-O 3.31Å; Y758-C768 VanDerWaalsContact CB-O 3.23Å; Y758-C768 WeakPolarHBondContact CB-O 3.49Å
759I98.3Very high91.4Very high0 Ų056.1 Ų56.10%027%0.268CS..EExtended strand (participates in β ladder)trans-102.5134.8169.6-60.5169000107.5V599 M602 Q603 C738 L767 C768 L770V599-I759 HydrophobicContact CG1-CG2 4.27Å; M602-I759 HydrophobicContact CB-CD1 4.14Å; M602-I759 HydrophobicContact CB-CG2 4.39Å; M602-I759 HydrophobicContact CG-CD1 3.83Å; M602-I759 HydrophobicContact CG-CG1 3.93Å; M602-I759 HydrophobicContact CG-CG2 3.86Å; Q603-I759 HydrophobicContact CB-CD1 4.21Å; Q603-I759 HydrophobicContact CG-CD1 3.39Å; C738-I759 HydrophobicContact CB-CG1 4.04Å; I759-L767 PolarHBondContact O-N 3.26Å; I759-C768 HydrophobicContact CB-CB 4.35Å; I759-C768 HydrophobicContact CD1-CB 4.37Å; I759-C768 PolarHBondContact N-O 2.9Å; I759-C768 PolarHBondContact O-N 2.78Å; I759-L770 HydrophobicContact CD1-CD1 4.29Å; I759-L770 HydrophobicContact CG1-CD1 4.11Å
760Q97Very high93Very high24 Ų2455.9 Ų55.911%0.11227%0.265CS..EExtended strand (participates in β ladder)trans-128.7147.617656.6168.359.600110.9D736 K737 Y758 K765D736-Q760 WeakPolarHBondContact CA-O 3.38Å; K737-Q760 HydrophobicContact CB-CG 4Å; K737-Q760 PolarHBondContact N-O 3.28Å; K737-Q760 VanDerWaalsContact O-CG 3.27Å; K737-Q760 WeakPolarHBondContact O-CG 3.46Å; K737-Q760 PolarHBondContact O-N 3.19Å; Y758-Q760 HydrophobicContact CD2-CB 4.4Å; Y758-Q760 HydrophobicContact CE2-CG 4.31Å; Q760-K765 WeakPolarHBondContact CA-O 3.42Å; Q760-K765 WeakPolarHBondContact CB-O 3.25Å
761D94.6Very high94.3Very high35 Ų3550 Ų5019%0.18724%0.239CC..  trans-75176.9171.766.118.3000112.2D736 S763 K764 K765 L767D736-D761 WeakPolarHBondContact OD1-CA 3.41Å; D761-S763 PolarHBondContact O-N 3.16Å; D761-S763 VanDerWaalsContact O-N 3.14Å; D761-S763 WeakPolarHBondContact OD1-CA 3.39Å; D761-S763 VanDerWaalsContact OD1-CB 3.25Å; D761-S763 WeakPolarHBondContact OD1-CB 3.24Å; D761-S763 PolarHBondContact OD1-N 3.15Å; D761-K764 WeakPolarHBondContact O-CA 3.49Å; D761-K764 PolarHBondContact O-N 3.35Å; D761-K764 PolarHBondContact OD1-N 3.4Å; D761-K765 PolarHBondContact N-O 3.09Å; D761-K765 WeakPolarHBondContact OD1-CB 3.21Å; D761-K765 PolarHBondContact OD1-N 2.89Å; D761-K765 WeakPolarHBondContact OD2-CB 3.4Å; D761-L767 HydrophobicContact CB-CD1 4.14Å
762K93.7Very high95Very high165 Ų16547.2 Ų47.272%0.71723%0.228SC*.THydrogen-bonded Turntrans-56.8-25173.5-167.2174.7-173.61720113.7K764K762-K764 PolarHBondContact O-N 3.47Å
763S93.8Very high95.5Very high104 Ų10447.5 Ų47.573%0.72723%0.229SC*.THydrogen-bonded Turntrans-84.35.1175.7-51.80000113D761 K765D761-S763 PolarHBondContact O-N 3.16Å; D761-S763 VanDerWaalsContact O-N 3.14Å; D761-S763 WeakPolarHBondContact OD1-CA 3.39Å; D761-S763 VanDerWaalsContact OD1-CB 3.25Å; D761-S763 WeakPolarHBondContact OD1-CB 3.24Å; D761-S763 PolarHBondContact OD1-N 3.15Å; S763-K765 PolarHBondContact O-N 3.01Å
764K93.5Very high95.7Very high162 Ų16247.3 Ų47.370%0.70423%0.228SC*.  trans63.718.7-175.8-52.6-179178.1179.10113.9D761 K762D761-K764 WeakPolarHBondContact O-CA 3.49Å; D761-K764 PolarHBondContact O-N 3.35Å; D761-K764 PolarHBondContact OD1-N 3.4Å; K762-K764 PolarHBondContact O-N 3.47Å
765K94.8Very high95.7Very high138 Ų13845.3 Ų45.360%0.622%0.22SC*.  trans-78.3126.2173.2-177.3-173.5173.4-171.70108.8Q760 D761 S763 L767Q760-K765 WeakPolarHBondContact CA-O 3.42Å; Q760-K765 WeakPolarHBondContact CB-O 3.25Å; D761-K765 PolarHBondContact N-O 3.09Å; D761-K765 WeakPolarHBondContact OD1-CB 3.21Å; D761-K765 PolarHBondContact OD1-N 2.89Å; D761-K765 WeakPolarHBondContact OD2-CB 3.4Å; S763-K765 PolarHBondContact O-N 3.01Å; K765-L767 HydrophobicContact CD-CD2 4.42Å; K765-L767 HydrophobicContact CG-CD2 4.5Å; K765-L767 PolarHBondContact O-N 2.99Å
766K95.4Very high95.6Very high103 Ų10347.6 Ų47.645%0.44823%0.231SC..EExtended strand (participates in β ladder)trans-68.5125.5174.6-66.5-176.5178.3179.80110.1Y758 P783Y758-K766 HydrophobicContact CD2-CD 4.21Å; Y758-K766 HydrophobicContact CD2-CG 3.89Å; Y758-K766 HydrophobicContact CE2-CG 4.39Å; Y758-K766 HydrophobicContact CG-CD 4.16Å; Y758-K766 HydrophobicContact CG-CG 4.28Å; K766-P783 HydrophobicContact CB-CB 4.43Å; K766-P783 HydrophobicContact CB-CG 4.24Å
767L95.9Very high95.6Very high52 Ų5246.2 Ų46.227%0.27223%0.225SC..EExtended strand (participates in β ladder)trans-103.1-41.9-179.5-56-177.5000111.5V599 I759 D761 K765 P783V599-L767 HydrophobicContact CG1-CB 4.31Å; V599-L767 HydrophobicContact CG1-CD1 4.12Å; V599-L767 HydrophobicContact CG2-CD1 3.56Å; I759-L767 PolarHBondContact O-N 3.26Å; D761-L767 HydrophobicContact CB-CD1 4.14Å; K765-L767 HydrophobicContact CD-CD2 4.42Å; K765-L767 HydrophobicContact CG-CD2 4.5Å; K765-L767 PolarHBondContact O-N 2.99Å; L767-P783 WeakPolarHBondContact O-CD 3.43Å
768C95.4Very high95.6Very high18 Ų1845.9 Ų45.912%0.12222%0.222CC..EExtended strand (participates in β ladder)trans-139.6144.4-178.2-51.90000110.1Y758 I759Y758-C768 CarbonylContact C-O 3.53Å; Y758-C768 WeakPolarHBondContact CA-O 3.31Å; Y758-C768 VanDerWaalsContact CB-O 3.23Å; Y758-C768 WeakPolarHBondContact CB-O 3.49Å; I759-C768 HydrophobicContact CB-CB 4.35Å; I759-C768 HydrophobicContact CD1-CB 4.37Å; I759-C768 PolarHBondContact N-O 2.9Å; I759-C768 PolarHBondContact O-N 2.78Å
769A97.6Very high95.6Very high4 Ų443.6 Ų43.63%0.03321%0.213CC..EExtended strand (participates in β ladder)trans-94.3144.6162.700000109.2S780 V781 F786A769-S780 CarbonylContact O-C 3.57Å; A769-S780 VanDerWaalsContact O-CA 3.27Å; A769-S780 WeakPolarHBondContact O-CA 3.39Å; A769-S780 PolarHBondContact O-OG 2.74Å; A769-S780 VanDerWaalsContact O-OG 3.11Å; A769-V781 HydrophobicContact CB-CG1 4.07Å; A769-V781 PolarHBondContact N-O 2.84Å; A769-V781 PolarHBondContact O-N 2.79Å; A769-F786 HydrophobicContact CB-CB 3.59Å; A769-F786 HydrophobicContact CB-CD1 4.06Å; A769-F786 HydrophobicContact CB-CD2 4.17Å; A769-F786 HydrophobicContact CB-CG 3.67Å
770L98.1Very high95.6Very high0 Ų043.8 Ų43.80%021%0.214CC..EExtended strand (participates in β ladder)trans-121.7135.1176.1-59.3179.1000108.6A606 C738 L740 E756 G757 I759 Y779 S780 L832A606-L770 HydrophobicContact CB-CD1 3.78Å; C738-L770 VanDerWaalsContact SG-CD1 3.5Å; L740-L770 HydrophobicContact CD2-CB 4.26Å; L740-L770 HydrophobicContact CD2-CD1 3.81Å; E756-L770 CarbonylContact C-O 3.54Å; E756-L770 WeakPolarHBondContact CA-O 3.47Å; G757-L770 PolarHBondContact N-O 3.47Å; G757-L770 PolarHBondContact O-N 3.49Å; I759-L770 HydrophobicContact CD1-CD1 4.29Å; I759-L770 HydrophobicContact CG1-CD1 4.11Å; L770-Y779 WeakPolarHBondContact CA-O 3.47Å; L770-S780 WeakPolarHBondContact CD2-OG 3.32Å; L770-L832 HydrophobicContact CD2-CD1 3.63Å
771Y97.3Very high95.6Very high14 Ų1443 Ų436%0.05521%0.211CC..EExtended strand (participates in β ladder)trans-153.5153.4177.873.7-78.3000112.1V755 Y779 V781 F786 V823 I826 S829V755-Y771 CarbonylContact O-C 3.46Å; V755-Y771 VanDerWaalsContact O-CA 3.25Å; V755-Y771 WeakPolarHBondContact O-CA 3.14Å; Y771-Y779 PolarHBondContact N-O 3.05Å; Y771-Y779 PolarHBondContact O-N 2.79Å; Y771-V781 HydrophobicContact CD1-CG1 4.07Å; Y771-V781 HydrophobicContact CE1-CB 4.23Å; Y771-V781 HydrophobicContact CE1-CG1 3.81Å; Y771-F786 AromaticContact CD1-CD2 3.99Å; Y771-F786 HydrophobicContact CD1-CD2 3.99Å; Y771-F786 AromaticContact CD1-CE2 3.96Å; Y771-F786 HydrophobicContact CD1-CE2 3.96Å; Y771-F786 HydrophobicContact CG-CD2 4.29Å; Y771-F786 AromaticContact CG-CE2 3.79Å; Y771-F786 HydrophobicContact CG-CE2 3.79Å; Y771-V823 HydrophobicContact CD2-CG1 4.1Å; Y771-V823 HydrophobicContact CE2-CG1 3.95Å; Y771-I826 HydrophobicContact CD1-CD1 4.28Å; Y771-I826 HydrophobicContact CD2-CD1 4.48Å; Y771-I826 HydrophobicContact CE1-CB 4.42Å; Y771-I826 HydrophobicContact CE1-CD1 3.88Å; Y771-I826 HydrophobicContact CE1-CG1 4.28Å; Y771-I826 HydrophobicContact CE2-CD1 4.09Å; Y771-I826 HydrophobicContact CE2-CG1 4.06Å; Y771-I826 WeakPolarHBondContact OH-CB 3.39Å; Y771-I826 PolarHBondContact OH-N 2.87Å; Y771-S829 WeakPolarHBondContact OH-CB 3.39Å; Y771-S829 PolarHBondContact OH-OG 3.01Å
772G95.6Very high95.7Very high5 Ų545.4 Ų45.45%0.05222%0.224CC..EExtended strand (participates in β ladder)trans163.6-155.6177.800000112.6K754 V755 C777K754-G772 WeakPolarHBondContact CA-O 3.42Å; V755-G772 PolarHBondContact N-O 3.02Å; V755-G772 PolarHBondContact O-N 3.3Å; G772-C777 CarbonylContact C-O 3.57Å; G772-C777 WeakPolarHBondContact CA-O 3.49Å
773K94.4Very high95.7Very high10 Ų1038.4 Ų38.44%0.04320%0.196CC..EExtended strand (participates in β ladder)trans-131.5130.4172.6-77.9178177.9-173.10109.3H753 K754 T775 E776 C777 S820 E821 V823H753-K773 HydrophobicContact CB-CB 4.42Å; H753-K773 HydrophobicContact CB-CG 4.38Å; H753-K773 VanDerWaalsContact O-CA 3.23Å; H753-K773 WeakPolarHBondContact O-CA 3.44Å; K754-K773 HydrophobicContact CG-CG 4.42Å; K773-T775 PolarHBondContact O-N 2.67Å; K773-T775 VanDerWaalsContact O-N 3.07Å; K773-E776 HydrophobicContact CB-CB 4.17Å; K773-E776 HydrophobicContact CB-CG 4.35Å; K773-E776 WeakPolarHBondContact CD-OE1 3.4Å; K773-E776 PolarHBondContact O-N 2.97Å; K773-C777 PolarHBondContact N-O 3.28Å; K773-C777 PolarHBondContact O-N 2.88Å; K773-S820 PolarHBondContact NZ-OG 2.65Å; K773-E821 PolarHBondContact NZ-O 2.95Å; K773-V823 HydrophobicContact CB-CG2 3.9Å; K773-V823 HydrophobicContact CD-CG2 3.66Å; K773-V823 HydrophobicContact CG-CG2 3.52Å
774W94.9Very high95.7Very high0 Ų036.7 Ų36.70%019%0.188CC..THydrogen-bonded Turntrans-64.3-15.6-179.565-99.4000112.8V610 A614 Q616 W617 Q723 F742 H753 V755 W833V610-W774 HydrophobicContact CG1-CB 3.99Å; A614-W774 VanDerWaalsContact CB-O 3.26Å; A614-W774 WeakPolarHBondContact CB-O 3.29Å; Q616-W774 HydrophobicContact CB-CZ3 4.5Å; W617-W774 HydrophobicContact CB-CH2 4.2Å; W617-W774 HydrophobicContact CB-CZ3 3.98Å; W617-W774 HydrophobicContact CE3-CH2 4.24Å; Q723-W774 HydrophobicContact CB-CZ2 4.19Å; Q723-W774 HydrophobicContact CG-CH2 4.32Å; Q723-W774 HydrophobicContact CG-CZ2 4.07Å; Q723-W774 VanDerWaalsContact NE2-CZ3 3.28Å; F742-W774 HydrophobicContact CD1-CB 4.35Å; F742-W774 AromaticContact CD1-CD1 3.78Å; F742-W774 HydrophobicContact CD1-CG 4.21Å; F742-W774 HydrophobicContact CE1-CB 3.82Å; F742-W774 HydrophobicContact CE1-CG 4.09Å; H753-W774 AromaticContact CD2-CE2 3.79Å; H753-W774 AromaticContact CD2-CZ2 3.53Å; H753-W774 AromaticContact CD2-NE1 3.78Å; H753-W774 AromaticContact CG-NE1 3.96Å; H753-W774 PolarHBondContact O-N 3.03Å; H753-W774 VanDerWaalsContact O-N 3.16Å; V755-W774 HydrophobicContact CG2-CB 3.84Å; V755-W774 HydrophobicContact CG2-CG 4.39Å; W774-W833 WeakPolarHBondContact O-CH2 3.39Å
775T93.3Very high95.7Very high15 Ų1531.8 Ų31.89%0.09217%0.171CC..THydrogen-bonded Turntrans-87.8-7.3173.356.70000114.3W617 H753 K773W617-T775 HydrophobicContact CB-CG2 3.97Å; W617-T775 HydrophobicContact CD2-CG2 3.97Å; W617-T775 HydrophobicContact CE3-CG2 4.17Å; W617-T775 HydrophobicContact CG-CG2 3.86Å; H753-T775 HydrophobicContact CB-CG2 4.02Å; H753-T775 WeakPolarHBondContact ND1-CG2 3.34Å; H753-T775 PolarHBondContact ND1-OG1 3.34Å; K773-T775 PolarHBondContact O-N 2.67Å; K773-T775 VanDerWaalsContact O-N 3.07Å
776E93.1Very high95.6Very high49 Ų4926.2 Ų26.223%0.22915%0.147CC..THydrogen-bonded Turntrans-134.6-61.9-171.1-65174.6-153.700113.4K773 R834 I835K773-E776 HydrophobicContact CB-CB 4.17Å; K773-E776 HydrophobicContact CB-CG 4.35Å; K773-E776 WeakPolarHBondContact CD-OE1 3.4Å; K773-E776 PolarHBondContact O-N 2.97Å; E776-R834 WeakPolarHBondContact O-CA 3.29Å; E776-I835 WeakPolarHBondContact O-CG2 3.19Å; E776-I835 PolarHBondContact O-N 3.3Å
777C95.6Very high95.4Very high3 Ų324.8 Ų24.82%0.0214%0.144CC..EExtended strand (participates in β ladder)trans-168.4164.3-169.158.70000113.2G772 K773 Y779 L831 W833 R834G772-C777 CarbonylContact C-O 3.57Å; G772-C777 WeakPolarHBondContact CA-O 3.49Å; K773-C777 PolarHBondContact N-O 3.28Å; K773-C777 PolarHBondContact O-N 2.88Å; C777-Y779 HydrophobicContact CB-CE2 4.14Å; C777-Y779 VanDerWaalsContact SG-CE2 3.56Å; C777-L831 HydrophobicContact CB-CD1 4.42Å; C777-W833 CarbonylContact C-O 3.59Å; C777-W833 WeakPolarHBondContact CA-O 3.5Å; C777-W833 VanDerWaalsContact CB-O 3.27Å; C777-W833 WeakPolarHBondContact CB-O 3.43Å; C777-R834 HydrophobicContact CB-CB 4.32Å; C777-R834 HydrophobicContact CB-CG 4.41Å
778L97.9Very high95.1Very high0 Ų024.8 Ų24.80%015%0.152CC..EExtended strand (participates in β ladder)trans-132.7131.4172.3-166.373.4000110.4A607 V610 V755 L832 W833A607-L778 HydrophobicContact CB-CD2 4.15Å; V610-L778 HydrophobicContact CB-CD2 4.33Å; V610-L778 HydrophobicContact CG2-CD1 4.44Å; V610-L778 HydrophobicContact CG2-CD2 4Å; V755-L778 HydrophobicContact CB-CD1 4.49Å; V755-L778 HydrophobicContact CG1-CD1 4.35Å; L778-L832 HydrophobicContact CD2-CD1 4.28Å; L778-L832 WeakPolarHBondContact O-CB 3.3Å; L778-L832 PolarHBondContact O-N 3.26Å; L778-W833 HydrophobicContact CB-CE3 4.08Å; L778-W833 PolarHBondContact N-O 2.94Å; L778-W833 PolarHBondContact O-N 3.49Å
779Y97.7Very high94.8Very high14 Ų1427.5 Ų27.56%0.05516%0.16CC..EExtended strand (participates in β ladder)trans-117.6155.3178.2-75.6-91.6000111.2L770 Y771 C777 I825 V830 L831 R834L770-Y779 WeakPolarHBondContact CA-O 3.47Å; Y771-Y779 PolarHBondContact N-O 3.05Å; Y771-Y779 PolarHBondContact O-N 2.79Å; C777-Y779 HydrophobicContact CB-CE2 4.14Å; C777-Y779 VanDerWaalsContact SG-CE2 3.56Å; Y779-I825 HydrophobicContact CD1-CG2 4.38Å; Y779-I825 HydrophobicContact CE1-CD1 4.5Å; Y779-I825 HydrophobicContact CE1-CG1 4.46Å; Y779-I825 HydrophobicContact CE1-CG2 3.98Å; Y779-I825 HydrophobicContact CE2-CG1 4.19Å; Y779-I825 VanDerWaalsContact OH-CD1 3.25Å; Y779-I825 WeakPolarHBondContact OH-CD1 3.27Å; Y779-V830 CarbonylContact C-O 3.56Å; Y779-V830 WeakPolarHBondContact CA-O 3.45Å; Y779-L831 HydrophobicContact CD1-CB 4.17Å; Y779-L831 HydrophobicContact CD1-CD1 4.29Å; Y779-L831 HydrophobicContact CD2-CD1 4.41Å; Y779-L831 HydrophobicContact CE1-CB 3.78Å; Y779-L831 HydrophobicContact CE1-CD1 3.82Å; Y779-L831 HydrophobicContact CE1-CG 4.39Å; Y779-L831 HydrophobicContact CE2-CD1 3.94Å; Y779-R834 PolarHBondContact OH-NH2 2.87Å
780S97.8Very high94.2Very high4 Ų430.4 Ų30.43%0.02817%0.172CC..EExtended strand (participates in β ladder)trans-118.1147.3166.2-166.10000111.4Q603 A769 L770 S829 V830Q603-S780 PolarHBondContact NE2-OG 3.22Å; A769-S780 CarbonylContact O-C 3.57Å; A769-S780 VanDerWaalsContact O-CA 3.27Å; A769-S780 WeakPolarHBondContact O-CA 3.39Å; A769-S780 PolarHBondContact O-OG 2.74Å; A769-S780 VanDerWaalsContact O-OG 3.11Å; L770-S780 WeakPolarHBondContact CD2-OG 3.32Å; S780-S829 CarbonylContact O-C 3.52Å; S780-S829 VanDerWaalsContact O-CA 3.27Å; S780-S829 WeakPolarHBondContact O-CA 3.48Å; S780-V830 PolarHBondContact N-O 3.36Å; S780-V830 PolarHBondContact O-N 3.45Å
781V97.3Very high93.6Very high9 Ų937.7 Ų37.76%0.05520%0.204CC..EExtended strand (participates in β ladder)trans-150.8161.7176.5680000109.7A769 Y771 T785 F786 I826A769-V781 HydrophobicContact CB-CG1 4.07Å; A769-V781 PolarHBondContact N-O 2.84Å; A769-V781 PolarHBondContact O-N 2.79Å; Y771-V781 HydrophobicContact CD1-CG1 4.07Å; Y771-V781 HydrophobicContact CE1-CB 4.23Å; Y771-V781 HydrophobicContact CE1-CG1 3.81Å; V781-T785 HydrophobicContact CG2-CG2 3.89Å; V781-F786 HydrophobicContact CG1-CB 3.8Å; V781-F786 HydrophobicContact CG1-CD2 4.06Å; V781-F786 HydrophobicContact CG1-CG 4.38Å; V781-I826 HydrophobicContact CG2-CG2 4.41Å
782D95.8Very high92.5Very high85 Ų8541.9 Ų41.946%0.45523%0.227SC..  trans-56134.5171167.174.1000111.5A784 T785 F786D782-A784 VanDerWaalsContact C-N 3.33Å; D782-A784 PolarHBondContact O-N 2.84Å; D782-A784 WeakPolarHBondContact OD2-CA 3.32Å; D782-A784 WeakPolarHBondContact OD2-CB 3.28Å; D782-A784 PolarHBondContact OD2-N 2.77Å; D782-T785 WeakPolarHBondContact O-CB 3.41Å; D782-T785 PolarHBondContact O-N 3.28Å; D782-T785 PolarHBondContact OD2-N 2.99Å; D782-T785 PolarHBondContact OD2-OG1 3.3Å; D782-T785 VanDerWaalsContact OD2-OG1 3.1Å; D782-F786 PolarHBondContact O-N 2.99Å
783P94.9Very high91.3Very high18 Ų1845.2 Ų45.212%0.11724%0.244CC..Hα-helixtrans-57.5-38.6-177.8-26.434.3000114.7K766 L767 T785 F786 D787K766-P783 HydrophobicContact CB-CB 4.43Å; K766-P783 HydrophobicContact CB-CG 4.24Å; L767-P783 WeakPolarHBondContact O-CD 3.43Å; P783-T785 VanDerWaalsContact C-N 3.34Å; P783-F786 PolarHBondContact O-N 3.15Å; P783-D787 PolarHBondContact O-N 3.07Å
784A93.2Very high89.9Confident68 Ų6851.2 Ų51.256%0.56227%0.27SS*.Hα-helixtrans-69.1-37.6-179.200000111.2D782 D787 A788D782-A784 VanDerWaalsContact C-N 3.33Å; D782-A784 PolarHBondContact O-N 2.84Å; D782-A784 WeakPolarHBondContact OD2-CA 3.32Å; D782-A784 WeakPolarHBondContact OD2-CB 3.28Å; D782-A784 PolarHBondContact OD2-N 2.77Å; A784-D787 PolarHBondContact O-N 3.06Å; A784-A788 WeakPolarHBondContact O-CB 3.45Å; A784-A788 PolarHBondContact O-N 3.16Å
785T93.5Very high88Confident58 Ų5857.3 Ų57.336%0.35630%0.296SS..Hα-helixtrans-63.7-43.1174.3-55.50000111.4V781 D782 P783 A788 Y789 I826V781-T785 HydrophobicContact CG2-CG2 3.89Å; D782-T785 WeakPolarHBondContact O-CB 3.41Å; D782-T785 PolarHBondContact O-N 3.28Å; D782-T785 PolarHBondContact OD2-N 2.99Å; D782-T785 PolarHBondContact OD2-OG1 3.3Å; D782-T785 VanDerWaalsContact OD2-OG1 3.1Å; P783-T785 VanDerWaalsContact C-N 3.34Å; T785-A788 PolarHBondContact O-N 3.36Å; T785-Y789 PolarHBondContact O-N 3.06Å; T785-Y789 VanDerWaalsContact O-N 3.1Å; T785-I826 HydrophobicContact CG2-CG2 3.96Å
786F92.9Very high86.1Confident22 Ų2261 Ų6110%0.09632%0.316CS..Hα-helixtrans-61.5-47.6175.1-173.7-101.2000112.4E756 A769 Y771 V781 D782 P783 A788 Y789 K790 I826E756-F786 HydrophobicContact CG-CZ 4.41Å; A769-F786 HydrophobicContact CB-CB 3.59Å; A769-F786 HydrophobicContact CB-CD1 4.06Å; A769-F786 HydrophobicContact CB-CD2 4.17Å; A769-F786 HydrophobicContact CB-CG 3.67Å; Y771-F786 AromaticContact CD1-CD2 3.99Å; Y771-F786 HydrophobicContact CD1-CD2 3.99Å; Y771-F786 AromaticContact CD1-CE2 3.96Å; Y771-F786 HydrophobicContact CD1-CE2 3.96Å; Y771-F786 HydrophobicContact CG-CD2 4.29Å; Y771-F786 AromaticContact CG-CE2 3.79Å; Y771-F786 HydrophobicContact CG-CE2 3.79Å; V781-F786 HydrophobicContact CG1-CB 3.8Å; V781-F786 HydrophobicContact CG1-CD2 4.06Å; V781-F786 HydrophobicContact CG1-CG 4.38Å; D782-F786 PolarHBondContact O-N 2.99Å; P783-F786 PolarHBondContact O-N 3.15Å; F786-A788 VanDerWaalsContact C-N 3.33Å; F786-A788 PolarHBondContact O-N 2.7Å; F786-Y789 PolarHBondContact O-N 2.9Å; F786-K790 HydrophobicContact CE1-CD 4.08Å; F786-K790 WeakPolarHBondContact O-CB 3.4Å; F786-K790 PolarHBondContact O-N 3.45Å; F786-I826 HydrophobicContact CD2-CD1 3.61Å; F786-I826 HydrophobicContact CE2-CD1 4.07Å
787D91.1Very high84.2Confident72 Ų7261.1 Ų61.139%0.38532%0.319SS..Hα-helixtrans-65.5-36.3-179.7-75.5-26.4000112.1P783 A784 K790 K791P783-D787 PolarHBondContact O-N 3.07Å; A784-D787 PolarHBondContact O-N 3.06Å; D787-K790 PolarHBondContact O-N 3.47Å; D787-K791 WeakPolarHBondContact O-CG 3.36Å; D787-K791 PolarHBondContact O-N 3.48Å; D787-K791 VanDerWaalsContact O-N 3.09Å
788A90.3Very high81.9Confident52 Ų5267.5 Ų67.543%0.4335%0.349SS..Hα-helixtrans-63-45.3174.200000111.7A784 T785 F786 K791 N792A784-A788 WeakPolarHBondContact O-CB 3.45Å; A784-A788 PolarHBondContact O-N 3.16Å; T785-A788 PolarHBondContact O-N 3.36Å; F786-A788 VanDerWaalsContact C-N 3.33Å; F786-A788 PolarHBondContact O-N 2.7Å; A788-K791 PolarHBondContact O-N 3.39Å; A788-N792 PolarHBondContact O-N 3.17Å
789Y89.3Confident79.1Confident76 Ų7673.2 Ų73.230%0.29838%0.375SS..Hα-helixtrans-61.3-47175.5-179.3-94.7000111.6T785 F786 K791 N792 D793 F824 I826T785-Y789 PolarHBondContact O-N 3.06Å; T785-Y789 VanDerWaalsContact O-N 3.1Å; F786-Y789 PolarHBondContact O-N 2.9Å; Y789-K791 VanDerWaalsContact C-N 3.28Å; Y789-K791 PolarHBondContact O-N 3Å; Y789-N792 PolarHBondContact O-N 3.13Å; Y789-N792 VanDerWaalsContact O-N 3.12Å; Y789-D793 PolarHBondContact O-N 3.02Å; Y789-F824 HydrophobicContact CD2-CE1 4.4Å; Y789-F824 AromaticContact CE2-CD1 3.52Å; Y789-F824 HydrophobicContact CE2-CD1 3.52Å; Y789-F824 AromaticContact CE2-CE1 3.5Å; Y789-F824 HydrophobicContact CE2-CE1 3.5Å; Y789-F824 VanDerWaalsContact CE2-CE1 3.5Å; Y789-F824 AromaticContact CZ-CD1 3.51Å; Y789-F824 WeakPolarHBondContact OH-CD1 3.49Å; Y789-F824 WeakPolarHBondContact OH-CG 3.45Å; Y789-I826 HydrophobicContact CD1-CD1 3.72Å; Y789-I826 HydrophobicContact CD1-CG1 3.9Å; Y789-I826 HydrophobicContact CD2-CG1 4.13Å; Y789-I826 HydrophobicContact CE1-CD1 4.36Å; Y789-I826 HydrophobicContact CE1-CG1 4.22Å; Y789-I826 HydrophobicContact CE2-CG1 4.44Å; Y789-I826 HydrophobicContact CG-CD1 3.89Å; Y789-I826 HydrophobicContact CG-CG1 3.86Å
790K85.5Confident76.5Confident65 Ų6580.1 Ų80.128%0.28341%0.406SS..Hα-helixtrans-61.9-32.8-179.1-166.6167-170.3143.10113.3E756 F786 D787 K794E756-K790 IonicContact OE1-NZ 3.85Å; E756-K790 PolarHBondContact OE1-NZ 3.39Å; E756-K790 IonicContact OE2-NZ 2.82Å; E756-K790 PolarHBondContact OE2-NZ 3.19Å; F786-K790 HydrophobicContact CE1-CD 4.08Å; F786-K790 WeakPolarHBondContact O-CB 3.4Å; F786-K790 PolarHBondContact O-N 3.45Å; D787-K790 PolarHBondContact O-N 3.47Å; K790-K794 WeakPolarHBondContact O-CG 3.03Å; K790-K794 PolarHBondContact O-N 3.35Å
791K84.2Confident73.8Confident153 Ų15386.8 Ų86.867%0.66543%0.434SS*.Hα-helixtrans-69.2-41.6174.2-74.8173.9-176.4176.40112.2D787 A788 Y789 K794 K795D787-K791 WeakPolarHBondContact O-CG 3.36Å; D787-K791 PolarHBondContact O-N 3.48Å; D787-K791 VanDerWaalsContact O-N 3.09Å; A788-K791 PolarHBondContact O-N 3.39Å; Y789-K791 VanDerWaalsContact C-N 3.28Å; Y789-K791 PolarHBondContact O-N 3Å; K791-K794 PolarHBondContact O-N 3.07Å; K791-K795 PolarHBondContact O-N 2.88Å; K791-K795 VanDerWaalsContact O-N 3.1Å
792N75.2Confident70.7Confident102 Ų10293.6 Ų93.655%0.54547%0.471SS..Hα-helixtrans-67.6-38.4178-71.8-9.1000111.9A788 Y789 K795 N796A788-N792 PolarHBondContact O-N 3.17Å; Y789-N792 PolarHBondContact O-N 3.13Å; Y789-N792 VanDerWaalsContact O-N 3.12Å; N792-K795 PolarHBondContact O-N 3.49Å; N792-N796 WeakPolarHBondContact O-CB 3.39Å; N792-N796 PolarHBondContact O-N 2.96Å
793D70.1Confident67.7Low75 Ų7594.1 Ų94.140%0.40148%0.481SS..Hα-helixtrans-65.1-41.3177.1-167.450.3000112.1Y789 K795 N796 T797Y789-D793 PolarHBondContact O-N 3.02Å; D793-K795 PolarHBondContact O-N 3.29Å; D793-N796 PolarHBondContact O-N 2.72Å; D793-T797 WeakPolarHBondContact O-CB 3.43Å; D793-T797 PolarHBondContact O-N 2.78Å; D793-T797 PolarHBondContact O-OG1 3.33Å
794K63.8Low65Low136 Ų136101.9 Ų101.959%0.59151%0.513SS*.Hα-helixtrans-60.6-44.2171.9-77.9-176176.4-173.70112.6K790 K791 T797 E798K790-K794 WeakPolarHBondContact O-CG 3.03Å; K790-K794 PolarHBondContact O-N 3.35Å; K791-K794 PolarHBondContact O-N 3.07Å; K794-T797 PolarHBondContact O-N 2.84Å; K794-E798 PolarHBondContact O-N 2.88Å
795K54.9Low62.2Low127 Ų127107.4 Ų107.455%0.55253%0.527SS*.Hα-helixtrans-64.5-43.8179.8-165.4178.4178.6-175.20112.2K791 N792 D793 T797 E798 E799K791-K795 PolarHBondContact O-N 2.88Å; K791-K795 VanDerWaalsContact O-N 3.1Å; N792-K795 PolarHBondContact O-N 3.49Å; D793-K795 PolarHBondContact O-N 3.29Å; K795-T797 VanDerWaalsContact C-N 3.27Å; K795-T797 PolarHBondContact O-N 3.44Å; K795-E798 PolarHBondContact O-N 3.29Å; K795-E799 PolarHBondContact O-N 2.94Å
796N54.2Low59.3Low94 Ų94113.4 Ų113.450%0.50355%0.553SS.*Hα-helixtrans-64.6-31.1174.3-75.3-14.3000112.6N792 D793 K800N792-N796 WeakPolarHBondContact O-CB 3.39Å; N792-N796 PolarHBondContact O-N 2.96Å; D793-N796 PolarHBondContact O-N 2.72Å; N796-K800 WeakPolarHBondContact O-CB 3.43Å; N796-K800 PolarHBondContact O-N 3.29Å; N796-K800 VanDerWaalsContact O-N 3.16Å
797T53.8Low56.2Low50 Ų50117.8 Ų117.831%0.30759%0.587SS.*Hα-helixtrans-74.5-35.1177.1-54.90000112.1D793 K794 K795 K801D793-T797 WeakPolarHBondContact O-CB 3.43Å; D793-T797 PolarHBondContact O-N 2.78Å; D793-T797 PolarHBondContact O-OG1 3.33Å; K794-T797 PolarHBondContact O-N 2.84Å; K795-T797 VanDerWaalsContact C-N 3.27Å; K795-T797 PolarHBondContact O-N 3.44Å; T797-K801 PolarHBondContact O-N 3.37Å; T797-K801 VanDerWaalsContact O-N 3.14Å
798E46.2Very low53.1Low138 Ų138121.6 Ų121.665%0.64561%0.612SS**Hα-helixtrans-70.8-40.3173.6-74-175172.600112.3K794 K795 K800 K801 N802K794-E798 PolarHBondContact O-N 2.88Å; K795-E798 PolarHBondContact O-N 3.29Å; E798-K800 VanDerWaalsContact C-N 3.33Å; E798-K800 PolarHBondContact O-N 2.85Å; E798-K801 WeakPolarHBondContact O-CB 3.45Å; E798-K801 PolarHBondContact O-N 3.46Å; E798-K801 VanDerWaalsContact O-N 3.15Å; E798-N802 PolarHBondContact O-N 2.83Å
799E40Very low50.3Low119 Ų119124.2 Ų124.256%0.55663%0.628SS**Hα-helixtrans-64.4-35.8174.3-74.5178.7-17400112.3K795K795-E799 PolarHBondContact O-N 2.94Å
800K42.9Very low47.6Very low159 Ų159129.7 Ų129.769%0.69166%0.656SS**Hα-helixtrans-72.5-23172.9-81.2-179.9176.6175.80114.1N796 E798 S803N796-K800 WeakPolarHBondContact O-CB 3.43Å; N796-K800 PolarHBondContact O-N 3.29Å; N796-K800 VanDerWaalsContact O-N 3.16Å; E798-K800 VanDerWaalsContact C-N 3.33Å; E798-K800 PolarHBondContact O-N 2.85Å; K800-S803 PolarHBondContact O-N 3.34Å
801K40.5Very low44.9Very low145 Ų145135.9 Ų135.963%0.6369%0.686SS**Hα-helixtrans-70.3-31.7174.9-88.6-177.3174.7-176.70112.2T797 E798 S803T797-K801 PolarHBondContact O-N 3.37Å; T797-K801 VanDerWaalsContact O-N 3.14Å; E798-K801 WeakPolarHBondContact O-CB 3.45Å; E798-K801 PolarHBondContact O-N 3.46Å; E798-K801 VanDerWaalsContact O-N 3.15Å; K801-S803 PolarHBondContact O-N 2.9Å
802N33.4Very low42.3Very low152 Ų152132.7 Ų132.781%0.81368%0.683SS**THydrogen-bonded Turntrans-73.5-11.5176.4-78.1-4.9000114E798E798-N802 PolarHBondContact O-N 2.83Å
803S32.8Very low40.7Very low95 Ų95132.2 Ų132.266%0.66468%0.68SS**THydrogen-bonded Turntrans-104.8-1.4177.7102.60000114.4K800 K801K800-S803 PolarHBondContact O-N 3.34Å; K801-S803 PolarHBondContact O-N 2.9Å
804K37.1Very low39.2Very low182 Ų182133.5 Ų133.579%0.79168%0.684SS**  trans-138.670-179.9-80.8-173.1174.7-176.30110.6
805Q34.2Very low38.2Very low183 Ų183132.4 Ų132.486%0.85568%0.682SS**  trans-110.676.6156.2-88.4-172.1-29.800108.6
806M32.6Very low38Very low184 Ų184130.7 Ų130.791%0.90668%0.684SS**  trans-166.589.5152.8-147.5112.673.800108.9
807S28.1Very low37.8Very low115 Ų115129.5 Ų129.580%0.80468%0.676SS**  trans179.893155.859.30000108.9
808T26.6Very low38.1Very low151 Ų151128.9 Ų128.993%0.92667%0.673SS**  trans-87.9104.616124.40000107.3
809S31.3Very low38.3Very low108 Ų108130.1 Ų130.176%0.75568%0.684SS**PPolyproline II helixtrans-84.9133.2172.749.70000110.1
810E33.2Very low39Very low190 Ų190126.7 Ų126.789%0.88867%0.673SS**PPolyproline II helixtrans-49.2135.4163.2-61.7173.715700110.8S812E810-S812 PolarHBondContact O-N 2.86Å
811E28.8Very low40.1Very low196 Ų196127.3 Ų127.392%0.91668%0.679SS**PPolyproline II helixtrans-71.6116.9175.1-81.3-174.6154.600110.4
812S29.6Very low41.5Very low85 Ų85125 Ų12559%0.59468%0.68SS**PPolyproline II helixtrans-73.8142.2172.656.10000111.9E810 E814E810-S812 PolarHBondContact O-N 2.86Å; S812-E814 PolarHBondContact O-N 3.5Å; S812-E814 VanDerWaalsContact O-N 3.16Å; S812-E814 PolarHBondContact OG-O 3.39Å
813D40.3Very low43.5Very low92 Ų92119.1 Ų119.149%0.49265%0.65SS.*SBendtrans-71.2-6.4-177.9-129.9-21.6000114.9R135 K681R135-D813 IonicContact CZ-OD2 2.75Å; R135-D813 IonicContact NH1-OD2 3.67Å; R135-D813 PolarHBondContact NH1-OD2 2.85Å; K681-D813 PolarHBondContact NZ-O 2.86Å; K681-D813 IonicContact NZ-OD1 3.31Å; K681-D813 PolarHBondContact NZ-OD1 3.38Å; K681-D813 VanDerWaalsContact NZ-OD1 3.08Å
814E38.1Very low45.9Very low102 Ų102120.6 Ų120.648%0.47765%0.645SS.*SBendtrans-111.9139.2176.6-170.8170.7-168.200108.9G717 K718 S812 P816G717-E814 WeakPolarHBondContact CA-OE1 2.82Å; K718-E814 PolarHBondContact N-OE1 3.15Å; S812-E814 PolarHBondContact O-N 3.5Å; S812-E814 VanDerWaalsContact O-N 3.16Å; S812-E814 PolarHBondContact OG-O 3.39Å; E814-P816 WeakPolarHBondContact O-CD 3.38Å
815M44.4Very low48.4Very low113 Ų113115.9 Ų115.956%0.55763%0.628SS**  trans-84.399.8169.2-77.9-170.3172.200108.4N713N713-M815 PolarHBondContact ND2-O 2.97Å
816P50.7Low51.1Low91 Ų91107.4 Ų107.459%0.59159%0.588SS**PPolyproline II helixtrans-66146.7176.131.1-36.1000109.3E814 P818E814-P816 WeakPolarHBondContact O-CD 3.38Å; P816-P818 VanDerWaalsContact O-CD 3.3Å; P816-P818 WeakPolarHBondContact O-CD 3.46Å
817M49.6Very low53.8Low70 Ų70103.4 Ų103.435%0.34558%0.576SS.*PPolyproline II helixtrans-65.5123.2168-69-159.2-48.700108.4W617 W720W617-M817 HydrophobicContact CH2-SD 3.83Å; W720-M817 HydrophobicContact CB-CG 3.96Å; W720-M817 HydrophobicContact CB-SD 3.56Å; W720-M817 VanDerWaalsContact CB-SD 3.56Å; W720-M817 HydrophobicContact CD2-CG 4.22Å; W720-M817 HydrophobicContact CG-CG 3.77Å; W720-M817 HydrophobicContact CG-SD 4.05Å
818P58.9Low56.7Low36 Ų36101.4 Ų101.423%0.23457%0.573CS.*PPolyproline II helixtrans-74.2148.3177.325-26.9000111.4C745 G749 L752 P816 S820C745-P818 WeakPolarHBondContact SG-CG 3.42Å; G749-P818 VanDerWaalsContact CA-CG 3.47Å; L752-P818 HydrophobicContact CB-CG 4.4Å; L752-P818 HydrophobicContact CD2-CG 3.95Å; P816-P818 VanDerWaalsContact O-CD 3.3Å; P816-P818 WeakPolarHBondContact O-CD 3.46Å; P818-S820 PolarHBondContact O-N 3.32Å
819D50.1Low60Low164 Ų16495.4 Ų95.488%0.87754%0.537SS*.PPolyproline II helixtrans-63117.6175.4-68.1-37.4000110.2
820S54.8Low63.1Low48 Ų4894.4 Ų94.434%0.33653%0.526SS..  trans-100.6104.5-179.3152.50000109.9K773 P818K773-S820 PolarHBondContact NZ-OG 2.65Å; P818-S820 PolarHBondContact O-N 3.32Å
821E65.9Low66.2Low172 Ų17289 Ų8980%0.80450%0.503SS*.PPolyproline II helixtrans-65.8137.7172.5-76-177.8164.900111.6K773K773-E821 PolarHBondContact NZ-O 2.95Å
822S70.5Confident69.5Low95 Ų9580.3 Ų80.366%0.66446%0.463SS*.PPolyproline II helixtrans-55146.4177.157.40000112.3F824S822-F824 PolarHBondContact O-N 3.12Å
823V76.8Confident72.7Confident29 Ų2976.4 Ų76.418%0.17644%0.435CS..PPolyproline II helixtrans-58122.1-178.4-176.70000111.5Y771 K773 I825Y771-V823 HydrophobicContact CD2-CG1 4.1Å; Y771-V823 HydrophobicContact CE2-CG1 3.95Å; K773-V823 HydrophobicContact CB-CG2 3.9Å; K773-V823 HydrophobicContact CD-CG2 3.66Å; K773-V823 HydrophobicContact CG-CG2 3.52Å; V823-I825 PolarHBondContact O-N 3.07Å
824F81.9Confident75.3Confident126 Ų12677.7 Ų77.755%0.55343%0.433SS*.PPolyproline II helixtrans-69.8125.3169.6-178.4-91.1000110.1Y789 S822 I826Y789-F824 HydrophobicContact CD2-CE1 4.4Å; Y789-F824 AromaticContact CE2-CD1 3.52Å; Y789-F824 HydrophobicContact CE2-CD1 3.52Å; Y789-F824 AromaticContact CE2-CE1 3.5Å; Y789-F824 HydrophobicContact CE2-CE1 3.5Å; Y789-F824 VanDerWaalsContact CE2-CE1 3.5Å; Y789-F824 AromaticContact CZ-CD1 3.51Å; Y789-F824 WeakPolarHBondContact OH-CD1 3.49Å; Y789-F824 WeakPolarHBondContact OH-CG 3.45Å; S822-F824 PolarHBondContact O-N 3.12Å; F824-I826 PolarHBondContact O-N 2.72Å
825I90Very high78Confident84 Ų8474.9 Ų74.943%0.43142%0.421SS..  trans-83.2113.7-179.4-54.2169.3000108.9Y779 V823Y779-I825 HydrophobicContact CD1-CG2 4.38Å; Y779-I825 HydrophobicContact CE1-CD1 4.5Å; Y779-I825 HydrophobicContact CE1-CG1 4.46Å; Y779-I825 HydrophobicContact CE1-CG2 3.98Å; Y779-I825 HydrophobicContact CE2-CG1 4.19Å; Y779-I825 VanDerWaalsContact OH-CD1 3.25Å; Y779-I825 WeakPolarHBondContact OH-CD1 3.27Å; V823-I825 PolarHBondContact O-N 3.07Å
826I90.8Very high80Confident5 Ų571.8 Ų71.83%0.02641%0.413CS..  trans-64.9126.4174.4-56.9173000108.5Y771 V781 T785 F786 Y789 F824 G828 S829Y771-I826 HydrophobicContact CD1-CD1 4.28Å; Y771-I826 HydrophobicContact CD2-CD1 4.48Å; Y771-I826 HydrophobicContact CE1-CB 4.42Å; Y771-I826 HydrophobicContact CE1-CD1 3.88Å; Y771-I826 HydrophobicContact CE1-CG1 4.28Å; Y771-I826 HydrophobicContact CE2-CD1 4.09Å; Y771-I826 HydrophobicContact CE2-CG1 4.06Å; Y771-I826 WeakPolarHBondContact OH-CB 3.39Å; Y771-I826 PolarHBondContact OH-N 2.87Å; V781-I826 HydrophobicContact CG2-CG2 4.41Å; T785-I826 HydrophobicContact CG2-CG2 3.96Å; F786-I826 HydrophobicContact CD2-CD1 3.61Å; F786-I826 HydrophobicContact CE2-CD1 4.07Å; Y789-I826 HydrophobicContact CD1-CD1 3.72Å; Y789-I826 HydrophobicContact CD1-CG1 3.9Å; Y789-I826 HydrophobicContact CD2-CG1 4.13Å; Y789-I826 HydrophobicContact CE1-CD1 4.36Å; Y789-I826 HydrophobicContact CE1-CG1 4.22Å; Y789-I826 HydrophobicContact CE2-CG1 4.44Å; Y789-I826 HydrophobicContact CG-CD1 3.89Å; Y789-I826 HydrophobicContact CG-CG1 3.86Å; F824-I826 PolarHBondContact O-N 2.72Å; I826-G828 PolarHBondContact O-N 2.96Å; I826-S829 VanDerWaalsContact O-CB 3.22Å; I826-S829 WeakPolarHBondContact O-CB 3.43Å; I826-S829 PolarHBondContact O-N 3.33Å; I826-S829 VanDerWaalsContact O-N 3.08Å; I826-S829 PolarHBondContact O-OG 3.28Å
827P89.4Confident81.9Confident100 Ų10073.1 Ų73.165%0.64942%0.422SS*.THydrogen-bonded Turntrans-52.9135.1177.6-2835.5000112.3
828G89.8Confident83.9Confident72 Ų7272.5 Ų72.574%0.74242%0.416SS*.THydrogen-bonded Turntrans86.14.7-175.100000115I826I826-G828 PolarHBondContact O-N 2.96Å
829S95.7Very high85.5Confident25 Ų2571.7 Ų71.718%0.17541%0.411CS..PPolyproline II helixtrans-75.4144.7175.6-59.10000113Y771 S780 I826Y771-S829 WeakPolarHBondContact OH-CB 3.39Å; Y771-S829 PolarHBondContact OH-OG 3.01Å; S780-S829 CarbonylContact O-C 3.52Å; S780-S829 VanDerWaalsContact O-CA 3.27Å; S780-S829 WeakPolarHBondContact O-CA 3.48Å; I826-S829 VanDerWaalsContact O-CB 3.22Å; I826-S829 WeakPolarHBondContact O-CB 3.43Å; I826-S829 PolarHBondContact O-N 3.33Å; I826-S829 VanDerWaalsContact O-N 3.08Å; I826-S829 PolarHBondContact O-OG 3.28Å
830V96.4Very high87.5Confident87 Ų8770.3 Ų70.353%0.52741%0.41SS..EExtended strand (participates in β ladder)trans-100.2128.1173.2-179.20000109Y779 S780 L832Y779-V830 CarbonylContact C-O 3.56Å; Y779-V830 WeakPolarHBondContact CA-O 3.45Å; S780-V830 PolarHBondContact N-O 3.36Å; S780-V830 PolarHBondContact O-N 3.45Å; V830-L832 HydrophobicContact CG1-CD2 4.48Å; V830-L832 PolarHBondContact O-N 2.97Å
831L97.3Very high89.3Confident77 Ų7770 Ų7040%0.40341%0.405SS..EExtended strand (participates in β ladder)trans-73.8123.7174.5178.265.5000109.8C777 Y779 W833 R834C777-L831 HydrophobicContact CB-CD1 4.42Å; Y779-L831 HydrophobicContact CD1-CB 4.17Å; Y779-L831 HydrophobicContact CD1-CD1 4.29Å; Y779-L831 HydrophobicContact CD2-CD1 4.41Å; Y779-L831 HydrophobicContact CE1-CB 3.78Å; Y779-L831 HydrophobicContact CE1-CD1 3.82Å; Y779-L831 HydrophobicContact CE1-CG 4.39Å; Y779-L831 HydrophobicContact CE2-CD1 3.94Å; L831-W833 WeakPolarHBondContact CD1-O 3.34Å; L831-R834 HydrophobicContact CD1-CB 4.47Å
832L97.6Very high90.6Very high14 Ų1462.1 Ų62.17%0.07337%0.369CS..EExtended strand (participates in β ladder)trans-97.1-46.2175.5-57.6-176.9000111.8Q603 A607 L770 L778 V830Q603-L832 HydrophobicContact CB-CD1 3.97Å; Q603-L832 HydrophobicContact CB-CD2 4Å; Q603-L832 HydrophobicContact CG-CD1 4.48Å; A607-L832 HydrophobicContact CB-CB 3.81Å; A607-L832 HydrophobicContact CB-CD1 4.47Å; L770-L832 HydrophobicContact CD2-CD1 3.63Å; L778-L832 HydrophobicContact CD2-CD1 4.28Å; L778-L832 WeakPolarHBondContact O-CB 3.3Å; L778-L832 PolarHBondContact O-N 3.26Å; V830-L832 HydrophobicContact CG1-CD2 4.48Å; V830-L832 PolarHBondContact O-N 2.97Å
833W98Very high91.5Very high3 Ų360.5 Ų60.51%0.01136%0.361CS..EExtended strand (participates in β ladder)trans-150.4150.1-177.6164.479.7000111.6H585 L588 A607 V610 S611 A614 W774 C777 L778 L831 I835H585-W833 AromaticContact CD2-CD1 3.68Å; H585-W833 AromaticContact CD2-NE1 3.13Å; H585-W833 PolarHBondContact CD2-NE1 2.98Å; H585-W833 AromaticContact CE1-NE1 3.7Å; H585-W833 AromaticContact CG-NE1 3.66Å; H585-W833 AromaticContact ND1-NE1 3.97Å; H585-W833 AromaticContact NE2-NE1 3.13Å; H585-W833 PolarHBondContact NE2-NE1 3.26Å; H585-W833 VanDerWaalsContact NE2-NE1 3.13Å; L588-W833 HydrophobicContact CD1-CB 4.16Å; L588-W833 HydrophobicContact CD1-CG 4.24Å; A607-W833 HydrophobicContact CB-CB 3.98Å; V610-W833 HydrophobicContact CG1-CE3 4.36Å; V610-W833 HydrophobicContact CG1-CZ3 4.08Å; S611-W833 VanDerWaalsContact CB-CE2 3.47Å; S611-W833 VanDerWaalsContact CB-NE1 3.33Å; A614-W833 HydrophobicContact CB-CH2 3.52Å; A614-W833 HydrophobicContact CB-CZ2 3.5Å; W774-W833 WeakPolarHBondContact O-CH2 3.39Å; C777-W833 CarbonylContact C-O 3.59Å; C777-W833 WeakPolarHBondContact CA-O 3.5Å; C777-W833 VanDerWaalsContact CB-O 3.27Å; C777-W833 WeakPolarHBondContact CB-O 3.43Å; L778-W833 HydrophobicContact CB-CE3 4.08Å; L778-W833 PolarHBondContact N-O 2.94Å; L778-W833 PolarHBondContact O-N 3.49Å; L831-W833 WeakPolarHBondContact CD1-O 3.34Å; W833-I835 HydrophobicContact CH2-CB 3.98Å; W833-I835 HydrophobicContact CH2-CG1 4.46Å; W833-I835 HydrophobicContact CZ2-CB 3.67Å; W833-I835 HydrophobicContact CZ2-CG1 3.99Å
834R95.3Very high92.2Very high118 Ų11863.9 Ų63.945%0.44538%0.375SS..EExtended strand (participates in β ladder)trans-141.5138.2171-177.9176.2-64.7-79.5-3.3108.5E776 C777 Y779 L831E776-R834 WeakPolarHBondContact O-CA 3.29Å; C777-R834 HydrophobicContact CB-CB 4.32Å; C777-R834 HydrophobicContact CB-CG 4.41Å; Y779-R834 PolarHBondContact OH-NH2 2.87Å; L831-R834 HydrophobicContact CD1-CB 4.47Å
835I93.8Very high92.8Very high44 Ų4458.8 Ų58.823%0.22635%0.353CS..PPolyproline II helixtrans-63.1142.3178.7-158.5169000110.8A614 E776 W833A614-I835 HydrophobicContact CB-CD1 4.02Å; A614-I835 HydrophobicContact CB-CG1 4.45Å; E776-I835 WeakPolarHBondContact O-CG2 3.19Å; E776-I835 PolarHBondContact O-N 3.3Å; W833-I835 HydrophobicContact CH2-CB 3.98Å; W833-I835 HydrophobicContact CH2-CG1 4.46Å; W833-I835 HydrophobicContact CZ2-CB 3.67Å; W833-I835 HydrophobicContact CZ2-CG1 3.99Å
836A87.6Confident92.9Very high47 Ų4755.2 Ų55.239%0.38833%0.334SS..PPolyproline II helixtrans-65.9137.5168.400000109.9R838A836-R838 PolarHBondContact O-N 2.94Å
837P89Confident93Very high119 Ų11956.6 Ų56.677%0.77334%0.342SS*.PPolyproline II helixtrans-63.1137173.627.7-33.2000109.3
838R92.3Very high93.4Very high58 Ų5851.8 Ų51.822%0.21931%0.311CS..PPolyproline II helixtrans-62.1143174.8-77.1-176.7167.2177.5-6.1110.7S615 W617 E618 A836 S842 N847S615-R838 PolarHBondContact O-NH2 2.88Å; W617-R838 PolarHBondContact O-NH1 3.39Å; W617-R838 PolarHBondContact O-NH2 3.05Å; E618-R838 IonicContact OE2-CZ 3.43Å; E618-R838 IonicContact OE2-NH1 3.8Å; E618-R838 PolarHBondContact OE2-NH1 3.38Å; A836-R838 PolarHBondContact O-N 2.94Å; R838-S842 WeakPolarHBondContact CD-OG 3.2Å; R838-N847 VanDerWaalsContact CZ-O 3.3Å; R838-N847 PolarHBondContact NH2-O 3.18Å
839P93.1Very high93.7Very high19 Ų1948.8 Ų48.812%0.12328%0.278CS..PPolyproline II helixtrans-64.7151.7177.130.2-36.2000110N841 S842 M853P839-N841 WeakPolarHBondContact CB-OD1 3.28Å; P839-N841 PolarHBondContact O-N 2.96Å; P839-S842 WeakPolarHBondContact O-CB 3.44Å; P839-S842 PolarHBondContact O-N 3.26Å; P839-M853 HydrophobicContact CG-CE 3.68Å; P839-M853 HydrophobicContact CG-SD 4.28Å
840P92Very high93.6Very high134 Ų13450.9 Ų50.987%0.8729%0.293SS*.THydrogen-bonded Turntrans-58.5-26.9-174.4-26.134.7000114.5S842P840-S842 VanDerWaalsContact C-N 3.34Å
841N92.8Very high93.6Very high43 Ų4347.3 Ų47.323%0.2327%0.27CS..THydrogen-bonded Turntrans-872.217862.3-15.3000113.9T534 S535 P839 A843 Q844 M845T534-N841 PolarHBondContact O-ND2 3.07Å; S535-N841 WeakPolarHBondContact CB-ND2 3.17Å; P839-N841 WeakPolarHBondContact CB-OD1 3.28Å; P839-N841 PolarHBondContact O-N 2.96Å; N841-A843 VanDerWaalsContact C-N 3.33Å; N841-A843 PolarHBondContact O-N 3.26Å; N841-Q844 PolarHBondContact O-N 2.97Å; N841-Q844 PolarHBondContact O-OE1 2.93Å; N841-Q844 VanDerWaalsContact O-OE1 3.07Å; N841-M845 WeakPolarHBondContact O-CB 3.34Å; N841-M845 VanDerWaalsContact O-CG 3.28Å; N841-M845 WeakPolarHBondContact O-CG 3.32Å; N841-M845 PolarHBondContact O-N 3.18Å
842S93.4Very high93.6Very high5 Ų543.6 Ų43.64%0.03525%0.251CS..G310 helixtrans-56-44.6-176171.20000112.2R838 P839 P840 Q844 M845 N847 F848R838-S842 WeakPolarHBondContact CD-OG 3.2Å; P839-S842 WeakPolarHBondContact O-CB 3.44Å; P839-S842 PolarHBondContact O-N 3.26Å; P840-S842 VanDerWaalsContact C-N 3.34Å; S842-Q844 VanDerWaalsContact C-N 3.27Å; S842-Q844 PolarHBondContact O-N 2.73Å; S842-M845 CarbonylContact O-C 3.59Å; S842-M845 VanDerWaalsContact O-C 3.25Å; S842-M845 WeakPolarHBondContact O-CA 3.35Å; S842-M845 PolarHBondContact O-N 2.98Å; S842-N847 WeakPolarHBondContact O-CA 3.41Å; S842-N847 PolarHBondContact O-N 2.93Å; S842-N847 VanDerWaalsContact OG-CA 3.27Å; S842-N847 WeakPolarHBondContact OG-CA 3.47Å; S842-F848 PolarHBondContact OG-O 2.98Å
843A89.4Confident93.5Very high62 Ų6243 Ų4351%0.51225%0.248SC..G310 helixtrans-62.4-32.8-178.600000113.2N841 M845 N847N841-A843 VanDerWaalsContact C-N 3.33Å; N841-A843 PolarHBondContact O-N 3.26Å; A843-M845 VanDerWaalsContact C-N 3.31Å; A843-N847 WeakPolarHBondContact CA-OD1 3.42Å
844Q90.8Very high93.4Very high100 Ų10043.6 Ų43.647%0.46725%0.251SS..G310 helixtrans-80-14.3173.7-58.886.4-1.400112.5P539 M540 N841 S842P539-Q844 CarbonylContact C-O 3.57Å; P539-Q844 WeakPolarHBondContact CA-O 3.29Å; P539-Q844 HydrophobicContact CB-CB 4.31Å; M540-Q844 WeakPolarHBondContact CG-O 3.26Å; M540-Q844 PolarHBondContact N-O 3.4Å; N841-Q844 PolarHBondContact O-N 2.97Å; N841-Q844 PolarHBondContact O-OE1 2.93Å; N841-Q844 VanDerWaalsContact O-OE1 3.07Å; S842-Q844 VanDerWaalsContact C-N 3.27Å; S842-Q844 PolarHBondContact O-N 2.73Å
845M93.8Very high93.5Very high19 Ų1938 Ų389%0.09423%0.23CC..THydrogen-bonded Turntrans-119.553.9-172.5-61.3-61176.800110.7L536 P539 N841 S842 A843 N847 F848 M853L536-M845 HydrophobicContact CB-SD 3.63Å; L536-M845 HydrophobicContact CD1-CB 4.35Å; L536-M845 HydrophobicContact CD1-SD 4.2Å; L536-M845 HydrophobicContact CG-CB 4.45Å; L536-M845 HydrophobicContact CG-SD 3.99Å; P539-M845 HydrophobicContact CB-CE 4.49Å; N841-M845 WeakPolarHBondContact O-CB 3.34Å; N841-M845 VanDerWaalsContact O-CG 3.28Å; N841-M845 WeakPolarHBondContact O-CG 3.32Å; N841-M845 PolarHBondContact O-N 3.18Å; S842-M845 CarbonylContact O-C 3.59Å; S842-M845 VanDerWaalsContact O-C 3.25Å; S842-M845 WeakPolarHBondContact O-CA 3.35Å; S842-M845 PolarHBondContact O-N 2.98Å; A843-M845 VanDerWaalsContact C-N 3.31Å; M845-N847 PolarHBondContact O-N 3.45Å; M845-F848 VanDerWaalsContact O-CB 3.31Å; M845-F848 WeakPolarHBondContact O-CB 3.49Å; M845-F848 VanDerWaalsContact O-CG 3.27Å; M845-F848 WeakPolarHBondContact O-CG 3.49Å; M845-F848 PolarHBondContact O-N 2.78Å; M845-M853 HydrophobicContact CB-CE 3.66Å; M845-M853 HydrophobicContact CG-CE 4.1Å
846Y92.6Very high93.6Very high8 Ų836 Ų363%0.03122%0.22CC..THydrogen-bonded Turntrans58.321.6176.1-60.6-88.7000115.2L536 M540 F541 E571 P572 R619 F848 M880L536-Y846 HydrophobicContact CD1-CD2 3.93Å; L536-Y846 HydrophobicContact CD1-CE2 4.3Å; M540-Y846 HydrophobicContact CB-CD1 3.84Å; M540-Y846 HydrophobicContact CB-CD2 3.81Å; M540-Y846 HydrophobicContact CB-CE1 3.59Å; M540-Y846 HydrophobicContact CB-CE2 3.54Å; M540-Y846 HydrophobicContact CB-CG 3.93Å; M540-Y846 VanDerWaalsContact CB-CZ 3.42Å; M540-Y846 HydrophobicContact CE-CD1 4.14Å; M540-Y846 HydrophobicContact CE-CE1 4.35Å; M540-Y846 HydrophobicContact SD-CD1 4.48Å; F541-Y846 HydrophobicContact CE1-CE1 4.22Å; F541-Y846 VanDerWaalsContact CE1-OH 3.27Å; F541-Y846 WeakPolarHBondContact CE1-OH 3.47Å; F541-Y846 HydrophobicContact CZ-CE1 4.41Å; E571-Y846 HydrophobicContact CB-CD1 4.12Å; E571-Y846 HydrophobicContact CB-CG 4.37Å; P572-Y846 VanDerWaalsContact CD-CD2 3.49Å; P572-Y846 HydrophobicContact CG-CD2 3.83Å; P572-Y846 HydrophobicContact CG-CE2 3.73Å; R619-Y846 WeakPolarHBondContact CD-O 3.11Å; Y846-F848 VanDerWaalsContact C-N 3.28Å; Y846-F848 VanDerWaalsContact CB-CE1 3.47Å; Y846-F848 HydrophobicContact CG-CE1 4.4Å; Y846-F848 PolarHBondContact O-N 3.46Å; Y846-M880 HydrophobicContact CE1-CE 3.73Å
847N93.8Very high94Very high34 Ų3435.7 Ų35.718%0.18221%0.211CC..THydrogen-bonded Turntrans62.129.2-172.6-61.4-46.5000114.4E618 R619 R838 S842 A843 M845E618-N847 HydrophobicContact CB-CB 4.3Å; E618-N847 PolarHBondContact O-ND2 2.89Å; R619-N847 VanDerWaalsContact CD-O 3.31Å; R619-N847 WeakPolarHBondContact CD-O 2.9Å; R838-N847 VanDerWaalsContact CZ-O 3.3Å; R838-N847 PolarHBondContact NH2-O 3.18Å; S842-N847 WeakPolarHBondContact O-CA 3.41Å; S842-N847 PolarHBondContact O-N 2.93Å; S842-N847 VanDerWaalsContact OG-CA 3.27Å; S842-N847 WeakPolarHBondContact OG-CA 3.47Å; A843-N847 WeakPolarHBondContact CA-OD1 3.42Å; M845-N847 PolarHBondContact O-N 3.45Å
848F96.3Very high94.2Very high0 Ų031.9 Ų31.90%019%0.185CC..  trans-68.7142-179.2-75.16.3000112.6L536 E571 P572 L573 R619 S842 M845 Y846 A852 M853L536-F848 HydrophobicContact CD1-CD2 4.09Å; L536-F848 HydrophobicContact CD1-CE2 3.98Å; L536-F848 HydrophobicContact CD2-CD2 4.43Å; L536-F848 HydrophobicContact CD2-CE2 4.49Å; E571-F848 HydrophobicContact CB-CE1 3.97Å; E571-F848 HydrophobicContact CB-CZ 4.03Å; E571-F848 HydrophobicContact CG-CE1 4.36Å; E571-F848 HydrophobicContact CG-CZ 4.43Å; P572-F848 HydrophobicContact CG-CE2 4.09Å; P572-F848 HydrophobicContact CG-CZ 4.03Å; L573-F848 HydrophobicContact CD1-CD2 4.48Å; L573-F848 HydrophobicContact CD1-CE1 4.06Å; L573-F848 HydrophobicContact CD1-CE2 3.78Å; L573-F848 HydrophobicContact CD1-CZ 3.53Å; L573-F848 HydrophobicContact CD2-CE2 4.48Å; L573-F848 HydrophobicContact CG-CE2 3.86Å; L573-F848 HydrophobicContact CG-CZ 3.65Å; R619-F848 VanDerWaalsContact CZ-CD1 3.49Å; S842-F848 PolarHBondContact OG-O 2.98Å; M845-F848 VanDerWaalsContact O-CB 3.31Å; M845-F848 WeakPolarHBondContact O-CB 3.49Å; M845-F848 VanDerWaalsContact O-CG 3.27Å; M845-F848 WeakPolarHBondContact O-CG 3.49Å; M845-F848 PolarHBondContact O-N 2.78Å; Y846-F848 VanDerWaalsContact C-N 3.28Å; Y846-F848 VanDerWaalsContact CB-CE1 3.47Å; Y846-F848 HydrophobicContact CG-CE1 4.4Å; Y846-F848 PolarHBondContact O-N 3.46Å; F848-A852 HydrophobicContact CB-CB 3.98Å; F848-A852 HydrophobicContact CD2-CB 4.34Å; F848-A852 HydrophobicContact CG-CB 4.06Å; F848-M853 HydrophobicContact CB-CE 4.19Å; F848-M853 HydrophobicContact CB-CG 3.85Å; F848-M853 HydrophobicContact CD2-CG 4.36Å
849T95.9Very high94.1Very high8 Ų831.1 Ų31.15%0.04919%0.186CC..  trans-70.5162.8163.564.60000109.7E584 F851 A852 M853E584-T849 WeakPolarHBondContact OE1-CB 3.44Å; E584-T849 PolarHBondContact OE1-OG1 2.94Å; T849-F851 PolarHBondContact O-N 3.41Å; T849-F851 PolarHBondContact OG1-N 2.95Å; T849-A852 PolarHBondContact O-N 3.26Å; T849-A852 VanDerWaalsContact O-N 3.13Å; T849-A852 PolarHBondContact OG1-N 3.45Å; T849-A852 VanDerWaalsContact OG1-N 3.08Å; T849-M853 WeakPolarHBondContact O-CG 3.4Å; T849-M853 PolarHBondContact O-N 3.26Å
850S94.6Very high93.9Very high70 Ų7038.7 Ų38.749%0.4922%0.216SC..Hα-helixtrans-56.8-34.9172.2-55.40000111.3V854S850-V854 WeakPolarHBondContact O-CG2 3.45Å
851F95.8Very high93.8Very high11 Ų1138.1 Ų38.15%0.04821%0.206CC..Hα-helixtrans-63.9-48.8174.7-174.4-87.2000111.8E581 M583 E584 L634 L639 F641 T849 M853 V854 L855E581-F851 HydrophobicContact CG-CD1 4.4Å; M583-F851 HydrophobicContact CB-CZ 4.44Å; E584-F851 HydrophobicContact CB-CB 4.28Å; E584-F851 HydrophobicContact CB-CD1 4.12Å; E584-F851 HydrophobicContact CB-CD2 4.14Å; E584-F851 HydrophobicContact CB-CE1 4.5Å; E584-F851 HydrophobicContact CB-CG 3.93Å; E584-F851 HydrophobicContact CG-CB 3.77Å; E584-F851 HydrophobicContact CG-CD2 4.2Å; E584-F851 HydrophobicContact CG-CG 3.94Å; L634-F851 HydrophobicContact CD2-CE1 4.4Å; L634-F851 HydrophobicContact CD2-CE2 4.43Å; L634-F851 HydrophobicContact CD2-CZ 3.75Å; L639-F851 HydrophobicContact CD1-CD2 4.12Å; L639-F851 HydrophobicContact CD1-CE2 3.79Å; F641-F851 HydrophobicContact CZ-CE2 4.31Å; F641-F851 HydrophobicContact CZ-CZ 4.18Å; T849-F851 PolarHBondContact O-N 3.41Å; T849-F851 PolarHBondContact OG1-N 2.95Å; F851-M853 VanDerWaalsContact C-N 3.28Å; F851-M853 PolarHBondContact O-N 2.93Å; F851-V854 PolarHBondContact O-N 3.45Å; F851-V854 VanDerWaalsContact O-N 3.08Å; F851-L855 HydrophobicContact CD1-CD2 4.2Å; F851-L855 HydrophobicContact CD1-CG 4.47Å; F851-L855 HydrophobicContact CE1-CD2 3.7Å; F851-L855 HydrophobicContact CE1-CG 4.41Å; F851-L855 HydrophobicContact CZ-CD2 4.34Å
852A96.9Very high93.7Very high0 Ų038 Ų380%021%0.205CC..Hα-helixtrans-62.2-34.3179.900000112.8L573 F848 T849 V854 L855L573-A852 HydrophobicContact CD1-CB 4.37Å; F848-A852 HydrophobicContact CB-CB 3.98Å; F848-A852 HydrophobicContact CD2-CB 4.34Å; F848-A852 HydrophobicContact CG-CB 4.06Å; T849-A852 PolarHBondContact O-N 3.26Å; T849-A852 VanDerWaalsContact O-N 3.13Å; T849-A852 PolarHBondContact OG1-N 3.45Å; T849-A852 VanDerWaalsContact OG1-N 3.08Å; A852-V854 PolarHBondContact O-N 3.18Å; A852-L855 HydrophobicContact CB-CD1 4.39Å; A852-L855 PolarHBondContact O-N 3.41Å
853M95.6Very high93.6Very high1 Ų142.8 Ų42.81%0.00523%0.226CC..Hα-helixtrans-59.7-32175.2-70.9-177.3-174.500112.3R533 P839 M845 F848 T849 F851R533-M853 PolarHBondContact NE-O 3.37Å; R533-M853 PolarHBondContact NH2-O 3Å; P839-M853 HydrophobicContact CG-CE 3.68Å; P839-M853 HydrophobicContact CG-SD 4.28Å; M845-M853 HydrophobicContact CB-CE 3.66Å; M845-M853 HydrophobicContact CG-CE 4.1Å; F848-M853 HydrophobicContact CB-CE 4.19Å; F848-M853 HydrophobicContact CB-CG 3.85Å; F848-M853 HydrophobicContact CD2-CG 4.36Å; T849-M853 WeakPolarHBondContact O-CG 3.4Å; T849-M853 PolarHBondContact O-N 3.26Å; F851-M853 VanDerWaalsContact C-N 3.28Å; F851-M853 PolarHBondContact O-N 2.93Å
854V95.9Very high93.7Very high15 Ų1544.4 Ų44.49%0.09123%0.234CC..Hα-helixtrans-78.3-23.7-177.9-176.90000112.7H532 S850 F851 A852 N856 E857H532-V854 HydrophobicContact CB-CB 4.49Å; H532-V854 HydrophobicContact CB-CG1 3.99Å; H532-V854 HydrophobicContact CB-CG2 3.63Å; S850-V854 WeakPolarHBondContact O-CG2 3.45Å; F851-V854 PolarHBondContact O-N 3.45Å; F851-V854 VanDerWaalsContact O-N 3.08Å; A852-V854 PolarHBondContact O-N 3.18Å; V854-N856 VanDerWaalsContact C-N 3.27Å; V854-N856 PolarHBondContact O-N 3.09Å; V854-N856 VanDerWaalsContact O-N 3.09Å; V854-E857 VanDerWaalsContact O-CB 3.23Å; V854-E857 WeakPolarHBondContact O-CB 3.26Å; V854-E857 PolarHBondContact O-N 3.02Å
855L97.4Very high93.9Very high1 Ų142.7 Ų42.71%0.00523%0.23CC..THydrogen-bonded Turntrans-58-35.9-165.2-67.7176.3000114.7L573 Q577 T580 E581 Y632 L634 F851 A852 R872L573-L855 HydrophobicContact CD1-CD1 4.17Å; L573-L855 HydrophobicContact CD2-CB 3.88Å; L573-L855 HydrophobicContact CD2-CD1 4.45Å; Q577-L855 HydrophobicContact CB-CB 4.32Å; Q577-L855 HydrophobicContact CB-CD1 4.18Å; Q577-L855 HydrophobicContact CG-CB 4.31Å; Q577-L855 PolarHBondContact NE2-O 2.99Å; Q577-L855 WeakPolarHBondContact O-CD1 3.41Å; T580-L855 HydrophobicContact CG2-CD2 4.01Å; E581-L855 HydrophobicContact CG-CD1 3.69Å; Y632-L855 HydrophobicContact CE1-CD2 4.45Å; Y632-L855 VanDerWaalsContact CE2-O 3.27Å; Y632-L855 WeakPolarHBondContact CE2-O 3.24Å; Y632-L855 VanDerWaalsContact OH-CA 3.31Å; Y632-L855 WeakPolarHBondContact OH-CA 3.27Å; Y632-L855 WeakPolarHBondContact OH-CB 3.45Å; Y632-L855 VanDerWaalsContact OH-CD2 3.28Å; Y632-L855 WeakPolarHBondContact OH-CD2 3.47Å; Y632-L855 PolarHBondContact OH-O 3.07Å; L634-L855 HydrophobicContact CD2-CD2 3.81Å; F851-L855 HydrophobicContact CD1-CD2 4.2Å; F851-L855 HydrophobicContact CD1-CG 4.47Å; F851-L855 HydrophobicContact CE1-CD2 3.7Å; F851-L855 HydrophobicContact CE1-CG 4.41Å; F851-L855 HydrophobicContact CZ-CD2 4.34Å; A852-L855 HydrophobicContact CB-CD1 4.39Å; A852-L855 PolarHBondContact O-N 3.41Å; L855-R872 PolarHBondContact O-NH2 2.97Å
856N97.5Very high94Very high1 Ų142.3 Ų42.31%0.00523%0.229CC..THydrogen-bonded Turntrans-106.311.5-177.6-160.950.1000113.3L573 Q577 V854 R878 E881L573-N856 HydrophobicContact CD2-CB 3.91Å; Q577-N856 PolarHBondContact NE2-OD1 2.97Å; V854-N856 VanDerWaalsContact C-N 3.27Å; V854-N856 PolarHBondContact O-N 3.09Å; V854-N856 VanDerWaalsContact O-N 3.09Å; N856-R878 PolarHBondContact O-NH1 2.8Å; N856-R878 PolarHBondContact O-NH2 3.08Å; N856-E881 WeakPolarHBondContact CB-OE1 3.5Å; N856-E881 PolarHBondContact ND2-OE1 3.47Å; N856-E881 VanDerWaalsContact ND2-OE1 3.12Å
857E95.3Very high94.2Very high41 Ų4142 Ų4219%0.19223%0.228CC..  trans-63.2135.3169.2-174.2170.5-136.700109.8H532 R533 V854 R872H532-E857 IonicContact ND1-OE2 3.81Å; R533-E857 VanDerWaalsContact CB-OE1 3.29Å; R533-E857 WeakPolarHBondContact CB-OE1 3Å; R533-E857 HydrophobicContact CG-CB 4.16Å; R533-E857 HydrophobicContact CG-CG 4.18Å; R533-E857 PolarHBondContact N-OE1 2.67Å; R533-E857 PolarHBondContact N-OE2 3.05Å; V854-E857 VanDerWaalsContact O-CB 3.23Å; V854-E857 WeakPolarHBondContact O-CB 3.26Å; V854-E857 PolarHBondContact O-N 3.02Å; E857-R872 WeakPolarHBondContact O-CD 3.39Å; E857-R872 PolarHBondContact O-NE 3.3Å
858V93.1Very high94.4Very high40 Ų4045.2 Ų45.224%0.24224%0.24CC..  trans-135.8141.4176.770.60000109.1E863 I866 R872 R878V858-E863 HydrophobicContact CG2-CG 3.68Å; V858-I866 HydrophobicContact CG2-CD1 4.48Å; V858-R872 HydrophobicContact CB-CB 4.25Å; V858-R872 HydrophobicContact CG2-CB 4.32Å; V858-R878 VanDerWaalsContact CG1-NH2 3.26Å
859D89.6Confident94.4Very high42 Ų4245.3 Ų45.323%0.22524%0.24CC..  trans-133.2166.6173.162.352.6000110K530 D861 M862 E863K530-D859 WeakPolarHBondContact CE-OD2 3.42Å; K530-D859 IonicContact NZ-OD1 3.83Å; K530-D859 IonicContact NZ-OD2 2.91Å; K530-D859 PolarHBondContact NZ-OD2 2.86Å; D859-D861 VanDerWaalsContact C-N 3.26Å; D859-D861 PolarHBondContact O-N 2.94Å; D859-D861 PolarHBondContact OD1-N 3.42Å; D859-M862 WeakPolarHBondContact O-CB 3.36Å; D859-M862 PolarHBondContact O-N 3.49Å; D859-M862 VanDerWaalsContact O-N 3.15Å; D859-M862 VanDerWaalsContact OD1-CB 3.3Å; D859-M862 WeakPolarHBondContact OD1-CB 3.48Å; D859-M862 PolarHBondContact OD1-N 2.78Å; D859-E863 PolarHBondContact O-N 2.57Å
860K88.7Confident94.6Very high177 Ų17744.9 Ų44.977%0.7724%0.238SC*.Hα-helixtrans-62.4-32-174-67.9-178.2179.1176.70113.4S864K860-S864 PolarHBondContact O-N 3.34Å
861D89.9Confident94.7Very high123 Ų12341.6 Ų41.666%0.65822%0.215SC*.Hα-helixtrans-70.9-42.1178.7-63-25.8000109.4D859 S864D859-D861 VanDerWaalsContact C-N 3.26Å; D859-D861 PolarHBondContact O-N 2.94Å; D859-D861 PolarHBondContact OD1-N 3.42Å; D861-S864 PolarHBondContact O-N 2.97Å; D861-S864 PolarHBondContact O-OG 3.27Å
862M91.4Very high94.8Very high41 Ų4141.7 Ų41.720%0.20222%0.215CC..Hα-helixtrans-63.4-42.3176.5-160-175.9-37.100112.1D859 S864 V865 I866 R872D859-M862 WeakPolarHBondContact O-CB 3.36Å; D859-M862 PolarHBondContact O-N 3.49Å; D859-M862 VanDerWaalsContact O-N 3.15Å; D859-M862 VanDerWaalsContact OD1-CB 3.3Å; D859-M862 WeakPolarHBondContact OD1-CB 3.48Å; D859-M862 PolarHBondContact OD1-N 2.78Å; M862-S864 PolarHBondContact O-N 2.83Å; M862-S864 VanDerWaalsContact O-N 3.16Å; M862-V865 PolarHBondContact O-N 2.82Å; M862-I866 HydrophobicContact CG-CG2 3.73Å; M862-I866 WeakPolarHBondContact O-CG1 3.43Å; M862-I866 WeakPolarHBondContact O-CG2 3.38Å; M862-I866 PolarHBondContact O-N 3.28Å; M862-R872 VanDerWaalsContact SD-CD 3.59Å; M862-R872 PolarHBondContact SD-NE 3.24Å
863E91.3Very high94.9Very high104 Ų10444.6 Ų44.649%0.48623%0.23SC..Hα-helixtrans-56.9-28.6176-74.3177.6-172.500113.3V858 D859 V865 L873V858-E863 HydrophobicContact CG2-CG 3.68Å; D859-E863 PolarHBondContact O-N 2.57Å; E863-V865 VanDerWaalsContact C-N 3.32Å; E863-L873 HydrophobicContact CG-CD2 4.37Å
864S91.4Very high95Very high97 Ų9744.7 Ų44.768%0.67823%0.23SC*.THydrogen-bonded Turntrans-78.6-14.8178.275.90000114K860 D861 M862K860-S864 PolarHBondContact O-N 3.34Å; D861-S864 PolarHBondContact O-N 2.97Å; D861-S864 PolarHBondContact O-OG 3.27Å; M862-S864 PolarHBondContact O-N 2.83Å; M862-S864 VanDerWaalsContact O-N 3.16Å
865V94.7Very high95.1Very high63 Ų6345.6 Ų45.638%0.38224%0.237SC..THydrogen-bonded Turntrans-115.8-32.8-172.3-178.40000112.8M862 E863 R940 Y942M862-V865 PolarHBondContact O-N 2.82Å; E863-V865 VanDerWaalsContact C-N 3.32Å; V865-R940 HydrophobicContact CG1-CG 4.28Å; V865-Y942 WeakPolarHBondContact O-CE2 3.27Å
866I96.6Very high95.1Very high12 Ų1245.5 Ų45.56%0.06224%0.236CC..SBendtrans-69.9148.7179.262.4-174.3000111E633 V858 M862 D870 L873E633-I866 HydrophobicContact CG-CG2 4.22Å; E633-I866 WeakPolarHBondContact OE1-CG2 3.41Å; V858-I866 HydrophobicContact CG2-CD1 4.48Å; M862-I866 HydrophobicContact CG-CG2 3.73Å; M862-I866 WeakPolarHBondContact O-CG1 3.43Å; M862-I866 WeakPolarHBondContact O-CG2 3.38Å; M862-I866 PolarHBondContact O-N 3.28Å; I866-D870 HydrophobicContact CB-CB 4Å; I866-D870 HydrophobicContact CD1-CB 4.21Å; I866-D870 HydrophobicContact CG1-CB 4.36Å; I866-L873 HydrophobicContact CD1-CD1 4.02Å; I866-L873 HydrophobicContact CD1-CD2 3.93Å; I866-L873 HydrophobicContact CD1-CG 3.8Å; I866-L873 HydrophobicContact CG1-CD1 4.2Å
867P97.1Very high95Very high2 Ų245.5 Ų45.51%0.01324%0.236CC..  trans-69.4155.4171.831.3-35.8000110.8T869 D870 Y937 Y942 L945P867-T869 PolarHBondContact O-N 3.16Å; P867-D870 HydrophobicContact CG-CB 4.36Å; P867-D870 WeakPolarHBondContact O-CB 3.29Å; P867-D870 PolarHBondContact O-N 3.44Å; P867-Y937 WeakPolarHBondContact CD-OH 3.32Å; P867-Y937 HydrophobicContact CG-CE2 3.94Å; P867-Y937 WeakPolarHBondContact CG-OH 3.18Å; P867-Y942 HydrophobicContact CB-CD1 4.17Å; P867-Y942 HydrophobicContact CB-CD2 3.99Å; P867-Y942 HydrophobicContact CB-CE1 4.09Å; P867-Y942 HydrophobicContact CB-CE2 3.88Å; P867-Y942 HydrophobicContact CB-CG 4.14Å; P867-Y942 HydrophobicContact CG-CE1 4.43Å; P867-Y942 HydrophobicContact CG-CE2 4.36Å; P867-L945 HydrophobicContact CB-CD1 3.54Å
868K96.8Very high95.1Very high100 Ų10045.8 Ų45.844%0.43524%0.236SC..THydrogen-bonded Turntrans-58-12.9173.964.3171.9176164.80115L945 P946 Y949K868-L945 WeakPolarHBondContact CE-O 3.36Å; K868-L945 PolarHBondContact NZ-O 3.4Å; K868-P946 WeakPolarHBondContact CE-O 3.49Å; K868-P946 PolarHBondContact NZ-O 3.28Å; K868-Y949 WeakPolarHBondContact O-CD2 3.42Å; K868-Y949 WeakPolarHBondContact O-CE2 3.43Å
869T97.8Very high95.2Very high2 Ų244 Ų441%0.01223%0.225CC..THydrogen-bonded Turntrans-92.1-2.8177.451.90000113.3T631 P867 P946 I948 Y949T631-T869 PolarHBondContact N-O 3.1Å; T631-T869 WeakPolarHBondContact OG1-CB 3.46Å; T631-T869 PolarHBondContact OG1-O 3.12Å; T631-T869 PolarHBondContact OG1-OG1 2.75Å; P867-T869 PolarHBondContact O-N 3.16Å; T869-P946 HydrophobicContact CG2-CB 4.29Å; T869-P946 VanDerWaalsContact CG2-O 3.32Å; T869-P946 WeakPolarHBondContact CG2-O 3.47Å; T869-I948 HydrophobicContact CG2-CD1 4.04Å; T869-I948 HydrophobicContact CG2-CG1 4.26Å; T869-Y949 PolarHBondContact O-OH 3.26Å; T869-Y949 VanDerWaalsContact O-OH 3.13Å
870D98.5Very high95.5Very high0 Ų042.1 Ų42.10%022%0.215CC..BIsolated β-bridgetrans-67.3129.8178.3-168.9-89.5000111.5T631 Y632 E633 I866 P867 R872 L873 Y949T631-D870 CarbonylContact O-C 3.59Å; T631-D870 VanDerWaalsContact O-CA 3.27Å; T631-D870 WeakPolarHBondContact O-CA 3.21Å; T631-D870 PolarHBondContact OG1-N 2.83Å; Y632-D870 WeakPolarHBondContact CA-OD2 3.24Å; E633-D870 PolarHBondContact N-OD2 3.06Å; I866-D870 HydrophobicContact CB-CB 4Å; I866-D870 HydrophobicContact CD1-CB 4.21Å; I866-D870 HydrophobicContact CG1-CB 4.36Å; P867-D870 HydrophobicContact CG-CB 4.36Å; P867-D870 WeakPolarHBondContact O-CB 3.29Å; P867-D870 PolarHBondContact O-N 3.44Å; D870-R872 PolarHBondContact O-N 3.49Å; D870-R872 VanDerWaalsContact OD1-CB 3.24Å; D870-R872 WeakPolarHBondContact OD1-CB 3.4Å; D870-R872 VanDerWaalsContact OD1-CG 3.23Å; D870-R872 WeakPolarHBondContact OD1-CG 3.36Å; D870-R872 IonicContact OD1-CZ 2.74Å; D870-R872 PolarHBondContact OD1-N 3.4Å; D870-R872 IonicContact OD1-NH1 3.21Å; D870-R872 PolarHBondContact OD1-NH1 3.4Å; D870-R872 IonicContact OD2-NH1 3.79Å; D870-R872 PolarHBondContact OD2-NH1 3.11Å; D870-L873 WeakPolarHBondContact O-CB 3.37Å; D870-L873 PolarHBondContact O-N 3.4Å; D870-Y949 WeakPolarHBondContact O-CE2 3.45Å; D870-Y949 PolarHBondContact O-OH 3.35Å
871C98Very high95.8Very high0 Ų033.8 Ų33.80%018%0.179CC..G310 helixtrans-65.5-9.8-17568.30000115.7Q577 E630 T631 Y632 L873 R874 Y949Q577-C871 PolarHBondContact NE2-SG 3.46Å; E630-C871 HydrophobicContact CG-CB 3.99Å; E630-C871 VanDerWaalsContact OE1-CB 3.28Å; E630-C871 WeakPolarHBondContact OE1-CB 3.33Å; T631-C871 PolarHBondContact O-N 3.06Å; Y632-C871 WeakPolarHBondContact CD2-SG 3.48Å; C871-L873 PolarHBondContact O-N 2.92Å; C871-R874 WeakPolarHBondContact O-CB 3.45Å; C871-R874 PolarHBondContact O-N 2.83Å; C871-R874 VanDerWaalsContact O-N 3.14Å; C871-Y949 VanDerWaalsContact CA-OH 3.27Å; C871-Y949 WeakPolarHBondContact CA-OH 3.19Å; C871-Y949 PolarHBondContact N-OH 2.82Å
872R97.9Very high96Very high13 Ų1331 Ų315%0.04916%0.164CC..G310 helixtrans-63.5-26.8166.5-69.3174.3-175.484-3.2113.3Y632 E633 L855 E857 V858 M862 D870 R874 R878Y632-R872 VanDerWaalsContact CE2-NH2 3.33Å; Y632-R872 PolarHBondContact OH-NH2 2.82Å; E633-R872 VanDerWaalsContact O-CZ 3.24Å; E633-R872 PolarHBondContact O-NH1 3.42Å; E633-R872 PolarHBondContact O-NH2 3.14Å; L855-R872 PolarHBondContact O-NH2 2.97Å; E857-R872 WeakPolarHBondContact O-CD 3.39Å; E857-R872 PolarHBondContact O-NE 3.3Å; V858-R872 HydrophobicContact CB-CB 4.25Å; V858-R872 HydrophobicContact CG2-CB 4.32Å; M862-R872 VanDerWaalsContact SD-CD 3.59Å; M862-R872 PolarHBondContact SD-NE 3.24Å; D870-R872 PolarHBondContact O-N 3.49Å; D870-R872 VanDerWaalsContact OD1-CB 3.24Å; D870-R872 WeakPolarHBondContact OD1-CB 3.4Å; D870-R872 VanDerWaalsContact OD1-CG 3.23Å; D870-R872 WeakPolarHBondContact OD1-CG 3.36Å; D870-R872 IonicContact OD1-CZ 2.74Å; D870-R872 PolarHBondContact OD1-N 3.4Å; D870-R872 IonicContact OD1-NH1 3.21Å; D870-R872 PolarHBondContact OD1-NH1 3.4Å; D870-R872 IonicContact OD2-NH1 3.79Å; D870-R872 PolarHBondContact OD2-NH1 3.11Å; R872-R874 VanDerWaalsContact C-N 3.29Å; R872-R878 PolarHBondContact O-NH2 2.62Å
873L97.6Very high96Very high62 Ų6230.6 Ų30.633%0.32517%0.17SC..G310 helixtrans-86.6-2.1177.8-58.6177.7000112.4E863 I866 D870 C871 P875 Y949E863-L873 HydrophobicContact CG-CD2 4.37Å; I866-L873 HydrophobicContact CD1-CD1 4.02Å; I866-L873 HydrophobicContact CD1-CD2 3.93Å; I866-L873 HydrophobicContact CD1-CG 3.8Å; I866-L873 HydrophobicContact CG1-CD1 4.2Å; D870-L873 WeakPolarHBondContact O-CB 3.37Å; D870-L873 PolarHBondContact O-N 3.4Å; C871-L873 PolarHBondContact O-N 2.92Å; L873-P875 WeakPolarHBondContact O-CD 3.25Å; L873-Y949 HydrophobicContact CB-CD2 4.1Å; L873-Y949 HydrophobicContact CB-CE2 3.98Å
874R98.1Very high96Very high2 Ų229.9 Ų29.91%0.00817%0.167CC..  trans-76115.2-175.5-167.2177.9158164-2.5110.2N625 E630 C871 R872 D876 I877 R878 L895 Y949N625-R874 PolarHBondContact O-NH1 3.32Å; E630-R874 IonicContact OE1-NH1 2.82Å; E630-R874 WeakPolarHBondContact OE2-CD 3.32Å; E630-R874 IonicContact OE2-CZ 3.38Å; E630-R874 IonicContact OE2-NE 2.73Å; E630-R874 IonicContact OE2-NH1 3.45Å; E630-R874 PolarHBondContact OE2-NH1 3.28Å; C871-R874 WeakPolarHBondContact O-CB 3.45Å; C871-R874 PolarHBondContact O-N 2.83Å; C871-R874 VanDerWaalsContact O-N 3.14Å; R872-R874 VanDerWaalsContact C-N 3.29Å; R874-D876 WeakPolarHBondContact CD-OD1 3.33Å; R874-D876 WeakPolarHBondContact CG-OD1 3.24Å; R874-D876 IonicContact CZ-OD1 2.72Å; R874-D876 IonicContact CZ-OD2 2.79Å; R874-D876 IonicContact NE-OD1 3.82Å; R874-D876 PolarHBondContact NE-OD1 3.24Å; R874-D876 IonicContact NE-OD2 2.65Å; R874-D876 PolarHBondContact NE-OD2 2.94Å; R874-D876 IonicContact NH2-OD1 2.79Å; R874-D876 IonicContact NH2-OD2 3.82Å; R874-D876 PolarHBondContact NH2-OD2 2.93Å; R874-D876 PolarHBondContact O-N 3.46Å; R874-I877 HydrophobicContact CB-CD1 4.33Å; R874-I877 HydrophobicContact CB-CG1 4.42Å; R874-I877 HydrophobicContact CG-CD1 4.4Å; R874-I877 HydrophobicContact CG-CG1 4.32Å; R874-I877 PolarHBondContact O-N 2.84Å; R874-R878 PolarHBondContact O-N 3.22Å; R874-L895 HydrophobicContact CG-CD1 3.94Å; R874-Y949 HydrophobicContact CB-CD1 4.21Å; R874-Y949 HydrophobicContact CB-CE1 3.64Å; R874-Y949 HydrophobicContact CB-CE2 4.16Å; R874-Y949 HydrophobicContact CG-CD1 3.8Å; R874-Y949 HydrophobicContact CG-CE1 3.36Å
875P97.6Very high95.8Very high34 Ų3426.9 Ų26.922%0.22114%0.143CC..Hα-helixtrans-70.8-30.9-165.827.3-37.1000115.2L873 R878 A879 E891 L895L873-P875 WeakPolarHBondContact O-CD 3.25Å; P875-R878 PolarHBondContact O-N 2.82Å; P875-A879 WeakPolarHBondContact O-CB 3.43Å; P875-A879 PolarHBondContact O-N 3.38Å; P875-E891 HydrophobicContact CB-CB 4.41Å; P875-E891 HydrophobicContact CB-CG 4.13Å; P875-E891 HydrophobicContact CG-CB 4.39Å; P875-E891 HydrophobicContact CG-CG 4.46Å; P875-E891 WeakPolarHBondContact CG-OE2 3.45Å; P875-L895 HydrophobicContact CG-CD1 4.1Å; P875-L895 HydrophobicContact CG-CD2 4.47Å
876D97.1Very high95.4Very high0 Ų030.7 Ų30.70%016%0.161CC..Hα-helixtrans-67.9-40.5177.161.4-14.3000112.7F624 R874 M880 A888 E891 K892 L895F624-D876 WeakPolarHBondContact CD1-OD2 3.45Å; F624-D876 HydrophobicContact CE1-CB 4.13Å; F624-D876 WeakPolarHBondContact CE1-OD2 3.45Å; R874-D876 WeakPolarHBondContact CD-OD1 3.33Å; R874-D876 WeakPolarHBondContact CG-OD1 3.24Å; R874-D876 IonicContact CZ-OD1 2.72Å; R874-D876 IonicContact CZ-OD2 2.79Å; R874-D876 IonicContact NE-OD1 3.82Å; R874-D876 PolarHBondContact NE-OD1 3.24Å; R874-D876 IonicContact NE-OD2 2.65Å; R874-D876 PolarHBondContact NE-OD2 2.94Å; R874-D876 IonicContact NH2-OD1 2.79Å; R874-D876 IonicContact NH2-OD2 3.82Å; R874-D876 PolarHBondContact NH2-OD2 2.93Å; R874-D876 PolarHBondContact O-N 3.46Å; D876-M880 WeakPolarHBondContact O-CB 3.32Å; D876-M880 PolarHBondContact O-N 3.35Å; D876-M880 VanDerWaalsContact O-N 3.1Å; D876-A888 WeakPolarHBondContact CB-O 3.3Å; D876-A888 WeakPolarHBondContact O-CB 3.41Å; D876-E891 HydrophobicContact CB-CB 3.86Å; D876-K892 HydrophobicContact CB-CB 3.82Å; D876-K892 WeakPolarHBondContact OD2-CA 3.41Å; D876-L895 HydrophobicContact CB-CD1 4.25Å
877I97.3Very high95.2Very high0 Ų034.5 Ų34.50%018%0.179CC..Hα-helixtrans-65-45.1173.9-56-174.5000110.3P572 F624 R874 M880 E881P572-I877 HydrophobicContact CB-CG2 4.48Å; P572-I877 WeakPolarHBondContact O-CG2 3.42Å; F624-I877 HydrophobicContact CB-CD1 3.91Å; F624-I877 HydrophobicContact CB-CG1 4.11Å; F624-I877 HydrophobicContact CD1-CG1 4Å; F624-I877 HydrophobicContact CD2-CD1 4.28Å; F624-I877 HydrophobicContact CD2-CG1 3.8Å; F624-I877 HydrophobicContact CE1-CG1 4.32Å; F624-I877 HydrophobicContact CE2-CG1 4.12Å; F624-I877 HydrophobicContact CG-CD1 4.09Å; F624-I877 HydrophobicContact CG-CG1 3.72Å; F624-I877 HydrophobicContact CZ-CG1 4.38Å; R874-I877 HydrophobicContact CB-CD1 4.33Å; R874-I877 HydrophobicContact CB-CG1 4.42Å; R874-I877 HydrophobicContact CG-CD1 4.4Å; R874-I877 HydrophobicContact CG-CG1 4.32Å; R874-I877 PolarHBondContact O-N 2.84Å; I877-M880 PolarHBondContact O-N 3.23Å; I877-E881 WeakPolarHBondContact O-CB 3.43Å; I877-E881 PolarHBondContact O-N 2.98Å
878R96.6Very high95Very high48 Ų4834.4 Ų34.418%0.18118%0.178CC..Hα-helixtrans-63.7-47.2-179.4-174.562.761.9-164-0.7112.3N856 V858 R872 R874 P875 M880 E881 N882N856-R878 PolarHBondContact O-NH1 2.8Å; N856-R878 PolarHBondContact O-NH2 3.08Å; V858-R878 VanDerWaalsContact CG1-NH2 3.26Å; R872-R878 PolarHBondContact O-NH2 2.62Å; R874-R878 PolarHBondContact O-N 3.22Å; P875-R878 PolarHBondContact O-N 2.82Å; R878-M880 VanDerWaalsContact C-N 3.3Å; R878-M880 PolarHBondContact O-N 3.32Å; R878-E881 IonicContact CZ-OE2 3.83Å; R878-E881 IonicContact NH1-OE2 3.43Å; R878-E881 PolarHBondContact NH1-OE2 3.17Å; R878-E881 WeakPolarHBondContact O-CB 3.45Å; R878-E881 PolarHBondContact O-N 2.82Å; R878-N882 PolarHBondContact O-N 3.42Å; R878-N882 PolarHBondContact O-ND2 3.45Å
879A95.8Very high94.6Very high3 Ų332 Ų323%0.02517%0.173CC..Hα-helixtrans-59.4-42.7176.400000111P875 E881 N882 G883 E884 Q887 A888P875-A879 WeakPolarHBondContact O-CB 3.43Å; P875-A879 PolarHBondContact O-N 3.38Å; A879-E881 PolarHBondContact O-N 3.19Å; A879-N882 PolarHBondContact O-N 3.2Å; A879-G883 PolarHBondContact O-N 2.87Å; A879-E884 HydrophobicContact CB-CB 4.21Å; A879-E884 WeakPolarHBondContact O-CA 3.22Å; A879-E884 WeakPolarHBondContact O-CB 3.47Å; A879-E884 PolarHBondContact O-N 3.29Å; A879-Q887 HydrophobicContact CB-CB 4.18Å; A879-Q887 HydrophobicContact CB-CG 4.01Å; A879-A888 HydrophobicContact CB-CB 3.81Å
880M95Very high94.3Very high1 Ų138.4 Ų38.41%0.00520%0.204CC..Hα-helixtrans-63.2-42.8176.7-177.5175.9178.200112.3F541 V567 N570 P572 F624 Y846 D876 I877 R878 N882 G883 I885 A888F541-M880 HydrophobicContact CE1-CE 3.78Å; F541-M880 HydrophobicContact CZ-CE 4.12Å; V567-M880 HydrophobicContact CG1-CB 4.1Å; V567-M880 HydrophobicContact CG1-CE 4.42Å; V567-M880 HydrophobicContact CG1-CG 3.9Å; V567-M880 HydrophobicContact CG1-SD 3.46Å; V567-M880 WeakPolarHBondContact CG1-SD 3.36Å; V567-M880 WeakPolarHBondContact O-CE 3.49Å; N570-M880 HydrophobicContact CB-CE 4.05Å; N570-M880 HydrophobicContact CB-SD 3.8Å; N570-M880 WeakPolarHBondContact O-CE 3.39Å; P572-M880 HydrophobicContact CB-CG 4.3Å; F624-M880 HydrophobicContact CE2-SD 3.44Å; F624-M880 WeakPolarHBondContact CE2-SD 3.27Å; F624-M880 HydrophobicContact CZ-CB 4.3Å; F624-M880 HydrophobicContact CZ-SD 3.61Å; Y846-M880 HydrophobicContact CE1-CE 3.73Å; D876-M880 WeakPolarHBondContact O-CB 3.32Å; D876-M880 PolarHBondContact O-N 3.35Å; D876-M880 VanDerWaalsContact O-N 3.1Å; I877-M880 PolarHBondContact O-N 3.23Å; R878-M880 VanDerWaalsContact C-N 3.3Å; R878-M880 PolarHBondContact O-N 3.32Å; M880-N882 PolarHBondContact O-N 2.81Å; M880-G883 PolarHBondContact O-N 2.84Å; M880-I885 HydrophobicContact CG-CD1 4.15Å; M880-A888 HydrophobicContact CB-CB 3.9Å
881E95.2Very high94.1Very high2 Ų240.2 Ų40.21%0.00921%0.212CC..Hα-helixtrans-61.5-33.2177.8-164.2-176.9-114.200112.6R533 L536 P572 N856 I877 R878 A879 G883R533-E881 IonicContact CZ-OE1 3.02Å; R533-E881 VanDerWaalsContact CZ-OE1 3.31Å; R533-E881 IonicContact CZ-OE2 3Å; R533-E881 IonicContact NH1-OE1 3.2Å; R533-E881 PolarHBondContact NH1-OE1 3.03Å; R533-E881 IonicContact NH1-OE2 3.52Å; R533-E881 PolarHBondContact NH1-OE2 3.1Å; R533-E881 IonicContact NH2-OE1 2.72Å; R533-E881 PolarHBondContact NH2-OE1 3.31Å; R533-E881 IonicContact NH2-OE2 3.73Å; L536-E881 HydrophobicContact CB-CG 4.43Å; L536-E881 HydrophobicContact CD2-CG 4.16Å; P572-E881 HydrophobicContact CB-CB 3.8Å; P572-E881 HydrophobicContact CB-CG 4.15Å; P572-E881 HydrophobicContact CG-CG 4.43Å; N856-E881 WeakPolarHBondContact CB-OE1 3.5Å; N856-E881 PolarHBondContact ND2-OE1 3.47Å; N856-E881 VanDerWaalsContact ND2-OE1 3.12Å; I877-E881 WeakPolarHBondContact O-CB 3.43Å; I877-E881 PolarHBondContact O-N 2.98Å; R878-E881 IonicContact CZ-OE2 3.83Å; R878-E881 IonicContact NH1-OE2 3.43Å; R878-E881 PolarHBondContact NH1-OE2 3.17Å; R878-E881 WeakPolarHBondContact O-CB 3.45Å; R878-E881 PolarHBondContact O-N 2.82Å; A879-E881 PolarHBondContact O-N 3.19Å; E881-G883 VanDerWaalsContact C-N 3.29Å
882N94Very high93.8Very high64 Ų6440.8 Ų40.834%0.34221%0.214SC..THydrogen-bonded Turntrans-82.1-3176.4-67.6-20.8000113.6S538 R878 A879 M880 E884S538-N882 VanDerWaalsContact CB-C 3.49Å; S538-N882 WeakPolarHBondContact CB-O 3.31Å; R878-N882 PolarHBondContact O-N 3.42Å; R878-N882 PolarHBondContact O-ND2 3.45Å; A879-N882 PolarHBondContact O-N 3.2Å; M880-N882 PolarHBondContact O-N 2.81Å; N882-E884 HydrophobicContact CB-CG 4.36Å
883G90.4Very high93.4Very high33 Ų3345.8 Ų45.834%0.3424%0.236SC..THydrogen-bonded Turntrans84.96.7-17800000114.7A879 M880 E881 I885A879-G883 PolarHBondContact O-N 2.87Å; M880-G883 PolarHBondContact O-N 2.84Å; E881-G883 VanDerWaalsContact C-N 3.29Å; G883-I885 PolarHBondContact O-N 2.79Å; G883-I885 VanDerWaalsContact O-N 3.13Å
884E92.2Very high93.3Very high90 Ų9047.4 Ų47.442%0.42124%0.238SC..  trans-87.669.9-178.7-60.8171.1157.200110.5A879 N882 D886 Q887 A888A879-E884 HydrophobicContact CB-CB 4.21Å; A879-E884 WeakPolarHBondContact O-CA 3.22Å; A879-E884 WeakPolarHBondContact O-CB 3.47Å; A879-E884 PolarHBondContact O-N 3.29Å; N882-E884 HydrophobicContact CB-CG 4.36Å; E884-D886 PolarHBondContact O-N 2.96Å; E884-Q887 HydrophobicContact CB-CB 4.17Å; E884-Q887 PolarHBondContact O-N 3.4Å; E884-Q887 PolarHBondContact OE2-OE1 3.09Å; E884-Q887 VanDerWaalsContact OE2-OE1 3.11Å; E884-A888 WeakPolarHBondContact O-CB 3.37Å; E884-A888 PolarHBondContact O-N 3.4Å
885I87.6Confident93.1Very high33 Ų3347.3 Ų47.317%0.16924%0.238CC..Hα-helixtrans-64.5-35.5-170.4-55.7-55000113.8F541 I568 M880 G883 S889F541-I885 HydrophobicContact CD1-CD1 3.55Å; F541-I885 HydrophobicContact CD1-CG1 3.99Å; F541-I885 HydrophobicContact CE1-CD1 3.67Å; F541-I885 HydrophobicContact CE1-CG1 4.45Å; I568-I885 HydrophobicContact CG2-CG2 3.87Å; M880-I885 HydrophobicContact CG-CD1 4.15Å; G883-I885 PolarHBondContact O-N 2.79Å; G883-I885 VanDerWaalsContact O-N 3.13Å; I885-S889 WeakPolarHBondContact O-CB 3.39Å; I885-S889 PolarHBondContact O-N 3.47Å; I885-S889 PolarHBondContact O-OG 3.38Å
886D86.1Confident92.8Very high144 Ų14447.7 Ų47.777%0.7724%0.237SC*.Hα-helixtrans-67.6-48.1178.8-69.1-29.9000110.9E884 A888 S889 E890E884-D886 PolarHBondContact O-N 2.96Å; D886-A888 VanDerWaalsContact C-N 3.34Å; D886-A888 PolarHBondContact O-N 2.97Å; D886-S889 WeakPolarHBondContact O-CB 3.39Å; D886-S889 PolarHBondContact O-N 2.86Å; D886-S889 VanDerWaalsContact O-N 3.15Å; D886-E890 PolarHBondContact O-N 2.99Å
887Q92.6Very high92.4Very high92 Ų9251.9 Ų51.943%0.4326%0.256SS..Hα-helixtrans-61.6-43.1174.7-177.5176.2-5.300111.3A879 E884 S889 E890 E891A879-Q887 HydrophobicContact CB-CB 4.18Å; A879-Q887 HydrophobicContact CB-CG 4.01Å; E884-Q887 HydrophobicContact CB-CB 4.17Å; E884-Q887 PolarHBondContact O-N 3.4Å; E884-Q887 PolarHBondContact OE2-OE1 3.09Å; E884-Q887 VanDerWaalsContact OE2-OE1 3.11Å; Q887-S889 PolarHBondContact O-N 3.08Å; Q887-E890 PolarHBondContact O-N 3.38Å; Q887-E891 HydrophobicContact CG-CG 4.27Å; Q887-E891 WeakPolarHBondContact O-CB 3.49Å; Q887-E891 WeakPolarHBondContact O-CG 3.43Å; Q887-E891 PolarHBondContact O-N 2.82Å
888A92.6Very high92.3Very high0 Ų055 Ų550%027%0.27CS..Hα-helixtrans-58.7-38.7175.500000112.2V567 D876 A879 M880 E884 D886 K892V567-A888 HydrophobicContact CG1-CB 3.84Å; V567-A888 HydrophobicContact CG2-CB 4.46Å; D876-A888 WeakPolarHBondContact CB-O 3.3Å; D876-A888 WeakPolarHBondContact O-CB 3.41Å; A879-A888 HydrophobicContact CB-CB 3.81Å; M880-A888 HydrophobicContact CB-CB 3.9Å; E884-A888 WeakPolarHBondContact O-CB 3.37Å; E884-A888 PolarHBondContact O-N 3.4Å; D886-A888 VanDerWaalsContact C-N 3.34Å; D886-A888 PolarHBondContact O-N 2.97Å; A888-K892 WeakPolarHBondContact O-CB 3.48Å; A888-K892 PolarHBondContact O-N 3.42Å
889S88.1Confident92.1Very high48 Ų4854 Ų5434%0.33627%0.268SS..Hα-helixtrans-69.9-40178.1-61.10000112.4I885 D886 Q887 K893I885-S889 WeakPolarHBondContact O-CB 3.39Å; I885-S889 PolarHBondContact O-N 3.47Å; I885-S889 PolarHBondContact O-OG 3.38Å; D886-S889 WeakPolarHBondContact O-CB 3.39Å; D886-S889 PolarHBondContact O-N 2.86Å; D886-S889 VanDerWaalsContact O-N 3.15Å; Q887-S889 PolarHBondContact O-N 3.08Å; S889-K893 PolarHBondContact O-N 3.14Å; S889-K893 VanDerWaalsContact O-N 3.15Å
890E90.7Very high91.8Very high138 Ų13860.5 Ų60.565%0.64529%0.291SS*.Hα-helixtrans-65-50.3175.4-176.6171.9-16800111.8D886 Q887 K892 K893 R894D886-E890 PolarHBondContact O-N 2.99Å; Q887-E890 PolarHBondContact O-N 3.38Å; E890-K892 VanDerWaalsContact C-N 3.34Å; E890-K892 PolarHBondContact O-N 2.92Å; E890-K893 WeakPolarHBondContact O-CB 3.4Å; E890-K893 PolarHBondContact O-N 3.41Å; E890-R894 PolarHBondContact O-N 2.8Å
891E95.9Very high91.5Very high37 Ų3762.8 Ų62.817%0.17331%0.31CS..Hα-helixtrans-61.3-42.4178-72.5-60.3145.400111.4P875 D876 Q887 K893 R894 L895P875-E891 HydrophobicContact CB-CB 4.41Å; P875-E891 HydrophobicContact CB-CG 4.13Å; P875-E891 HydrophobicContact CG-CB 4.39Å; P875-E891 HydrophobicContact CG-CG 4.46Å; P875-E891 WeakPolarHBondContact CG-OE2 3.45Å; D876-E891 HydrophobicContact CB-CB 3.86Å; Q887-E891 HydrophobicContact CG-CG 4.27Å; Q887-E891 WeakPolarHBondContact O-CB 3.49Å; Q887-E891 WeakPolarHBondContact O-CG 3.43Å; Q887-E891 PolarHBondContact O-N 2.82Å; E891-K893 VanDerWaalsContact C-N 3.32Å; E891-K893 PolarHBondContact O-N 2.84Å; E891-R894 WeakPolarHBondContact O-CB 3.43Å; E891-R894 PolarHBondContact O-N 3.49Å; E891-R894 IonicContact OE1-NE 3.63Å; E891-R894 IonicContact OE2-CZ 3.55Å; E891-R894 IonicContact OE2-NE 3.35Å; E891-R894 PolarHBondContact OE2-NE 3.37Å; E891-R894 IonicContact OE2-NH2 2.77Å; E891-R894 PolarHBondContact OE2-NH2 2.97Å; E891-L895 WeakPolarHBondContact O-CB 3.45Å; E891-L895 VanDerWaalsContact O-CG 3.22Å; E891-L895 WeakPolarHBondContact O-CG 3.45Å; E891-L895 PolarHBondContact O-N 2.76Å
892K91.9Very high91.4Very high12 Ų1264.4 Ų64.45%0.05232%0.324CS..Hα-helixtrans-58.7-46176.9-178174.5-175.2176.90111.3M565 V567 N570 F624 D876 A888 E890 L895 E896M565-K892 PolarHBondContact O-NZ 2.84Å; V567-K892 HydrophobicContact CG2-CB 4.23Å; V567-K892 HydrophobicContact CG2-CD 3.6Å; N570-K892 PolarHBondContact OD1-NZ 2.94Å; F624-K892 HydrophobicContact CD1-CD 4.42Å; F624-K892 HydrophobicContact CE1-CD 4.01Å; D876-K892 HydrophobicContact CB-CB 3.82Å; D876-K892 WeakPolarHBondContact OD2-CA 3.41Å; A888-K892 WeakPolarHBondContact O-CB 3.48Å; A888-K892 PolarHBondContact O-N 3.42Å; E890-K892 VanDerWaalsContact C-N 3.34Å; E890-K892 PolarHBondContact O-N 2.92Å; K892-L895 PolarHBondContact O-N 3.13Å; K892-E896 VanDerWaalsContact CE-OE1 3.28Å; K892-E896 WeakPolarHBondContact CE-OE1 3.37Å; K892-E896 WeakPolarHBondContact O-CB 3.29Å; K892-E896 WeakPolarHBondContact O-CG 3.5Å; K892-E896 PolarHBondContact O-N 3.38Å
893K88.3Confident91.1Very high118 Ų11867.9 Ų67.951%0.51333%0.332SS..Hα-helixtrans-60.9-46.9176.7-178.4-175.7170.5-168.70111S889 E890 E891 L895 E896 E897S889-K893 PolarHBondContact O-N 3.14Å; S889-K893 VanDerWaalsContact O-N 3.15Å; E890-K893 WeakPolarHBondContact O-CB 3.4Å; E890-K893 PolarHBondContact O-N 3.41Å; E891-K893 VanDerWaalsContact C-N 3.32Å; E891-K893 PolarHBondContact O-N 2.84Å; K893-L895 PolarHBondContact O-N 3.48Å; K893-E896 PolarHBondContact O-N 3.03Å; K893-E897 WeakPolarHBondContact CE-OE1 3.47Å; K893-E897 WeakPolarHBondContact O-CB 3.25Å; K893-E897 VanDerWaalsContact O-CG 3.31Å; K893-E897 WeakPolarHBondContact O-CG 3.43Å; K893-E897 PolarHBondContact O-N 3.09Å
894R95.6Very high91Very high96 Ų9672.9 Ų72.936%0.36235%0.345SS..Hα-helixtrans-58-46.6178.7-171.9-17667.472.22.8111.9E890 E891 E897 K898 Y949E890-R894 PolarHBondContact O-N 2.8Å; E891-R894 WeakPolarHBondContact O-CB 3.43Å; E891-R894 PolarHBondContact O-N 3.49Å; E891-R894 IonicContact OE1-NE 3.63Å; E891-R894 IonicContact OE2-CZ 3.55Å; E891-R894 IonicContact OE2-NE 3.35Å; E891-R894 PolarHBondContact OE2-NE 3.37Å; E891-R894 IonicContact OE2-NH2 2.77Å; E891-R894 PolarHBondContact OE2-NH2 2.97Å; R894-E897 PolarHBondContact O-N 3.29Å; R894-K898 WeakPolarHBondContact O-CB 3.34Å; R894-K898 PolarHBondContact O-N 3Å; R894-Y949 PolarHBondContact NH1-OXT 2.99Å; R894-Y949 PolarHBondContact NH2-OXT 3.35Å
895L94.9Very high91Very high0 Ų073.3 Ų73.30%035%0.349CS..Hα-helixtrans-64-46.2179-68.7177.6000112.4L627 R874 P875 D876 E891 K892 K893 E897 K898 Q899 Y949L627-L895 HydrophobicContact CD1-CB 4.14Å; L627-L895 HydrophobicContact CD1-CD1 4.49Å; L627-L895 HydrophobicContact CD1-CD2 4.26Å; L627-L895 HydrophobicContact CD2-CB 4.5Å; R874-L895 HydrophobicContact CG-CD1 3.94Å; P875-L895 HydrophobicContact CG-CD1 4.1Å; P875-L895 HydrophobicContact CG-CD2 4.47Å; D876-L895 HydrophobicContact CB-CD1 4.25Å; E891-L895 WeakPolarHBondContact O-CB 3.45Å; E891-L895 VanDerWaalsContact O-CG 3.22Å; E891-L895 WeakPolarHBondContact O-CG 3.45Å; E891-L895 PolarHBondContact O-N 2.76Å; K892-L895 PolarHBondContact O-N 3.13Å; K893-L895 PolarHBondContact O-N 3.48Å; L895-E897 VanDerWaalsContact C-N 3.32Å; L895-E897 PolarHBondContact O-N 2.92Å; L895-K898 PolarHBondContact O-N 2.71Å; L895-Q899 PolarHBondContact O-N 3.4Å; L895-Y949 VanDerWaalsContact CD2-CA 3.46Å; L895-Y949 HydrophobicContact CD2-CD1 4.05Å; L895-Y949 WeakPolarHBondContact CD2-OXT 3.46Å
896E89.8Confident91.1Very high42 Ų4274.3 Ų74.320%0.19635%0.351CS..Hα-helixtrans-67.8-32178.8-70.7-165.9-148.900112.6T564 K892 K893 R900T564-E896 VanDerWaalsContact CG2-CD 3.49Å; T564-E896 WeakPolarHBondContact CG2-OE2 3.37Å; K892-E896 VanDerWaalsContact CE-OE1 3.28Å; K892-E896 WeakPolarHBondContact CE-OE1 3.37Å; K892-E896 WeakPolarHBondContact O-CB 3.29Å; K892-E896 WeakPolarHBondContact O-CG 3.5Å; K892-E896 PolarHBondContact O-N 3.38Å; K893-E896 PolarHBondContact O-N 3.03Å; E896-R900 WeakPolarHBondContact O-CB 3.4Å; E896-R900 WeakPolarHBondContact O-CG 3.33Å; E896-R900 PolarHBondContact O-N 3.04Å; E896-R900 VanDerWaalsContact O-N 3.12Å; E896-R900 PolarHBondContact O-NE 2.97Å
897E90.3Very high91.1Very high88 Ų8872.2 Ų72.241%0.41135%0.348SS..Hα-helixtrans-68.4-46.5170.9-75.4175.2179.600112K893 R894 L895 Q899 R900 A901K893-E897 WeakPolarHBondContact CE-OE1 3.47Å; K893-E897 WeakPolarHBondContact O-CB 3.25Å; K893-E897 VanDerWaalsContact O-CG 3.31Å; K893-E897 WeakPolarHBondContact O-CG 3.43Å; K893-E897 PolarHBondContact O-N 3.09Å; R894-E897 PolarHBondContact O-N 3.29Å; L895-E897 VanDerWaalsContact C-N 3.32Å; L895-E897 PolarHBondContact O-N 2.92Å; E897-Q899 VanDerWaalsContact C-N 3.31Å; E897-Q899 PolarHBondContact O-N 3.22Å; E897-R900 PolarHBondContact O-N 3.12Å; E897-R900 IonicContact OE1-NH2 2.74Å; E897-A901 WeakPolarHBondContact O-CB 3.13Å; E897-A901 PolarHBondContact O-N 3.42Å
898K93.9Very high90.9Very high65 Ų6575.1 Ų75.128%0.28336%0.359SS..Hα-helixtrans-55.8-45.9174.7-177.1175.9177.7172.70111R894 L895 A901 A902 D947 Y949R894-K898 WeakPolarHBondContact O-CB 3.34Å; R894-K898 PolarHBondContact O-N 3Å; L895-K898 PolarHBondContact O-N 2.71Å; K898-A901 PolarHBondContact O-N 3Å; K898-A902 WeakPolarHBondContact O-CB 3.21Å; K898-A902 PolarHBondContact O-N 3.04Å; K898-D947 WeakPolarHBondContact CE-O 3.4Å; K898-D947 VanDerWaalsContact NZ-CG 3.29Å; K898-D947 IonicContact NZ-OD1 2.96Å; K898-D947 PolarHBondContact NZ-OD1 3.33Å; K898-D947 IonicContact NZ-OD2 2.69Å; K898-D947 PolarHBondContact NZ-OD2 3.47Å; K898-Y949 PolarHBondContact NZ-O 2.99Å
899Q92.4Very high90.6Very high29 Ų2978 Ų7814%0.13638%0.38CS..Hα-helixtrans-62.1-45.4176.8178.3174.5-106.400112.7L627 H650 L895 E897 A901 A902 R903L627-Q899 VanDerWaalsContact CA-OE1 3.25Å; L627-Q899 HydrophobicContact CD2-CB 4.38Å; H650-Q899 PolarHBondContact CE1-NE2 3.12Å; H650-Q899 PolarHBondContact NE2-NE2 3.44Å; L895-Q899 PolarHBondContact O-N 3.4Å; E897-Q899 VanDerWaalsContact C-N 3.31Å; E897-Q899 PolarHBondContact O-N 3.22Å; Q899-A901 VanDerWaalsContact C-N 3.34Å; Q899-A901 PolarHBondContact O-N 3.05Å; Q899-A902 PolarHBondContact O-N 3.49Å; Q899-R903 PolarHBondContact O-N 3.17Å
900R89.2Confident90.5Very high139 Ų13984.5 Ų84.553%0.52540%0.404SS..Hα-helixtrans-62.7-41.4177.9-78.3-177.7-73.5158.2-6.7111.6E896 E897 R903 K904E896-R900 WeakPolarHBondContact O-CB 3.4Å; E896-R900 WeakPolarHBondContact O-CG 3.33Å; E896-R900 PolarHBondContact O-N 3.04Å; E896-R900 VanDerWaalsContact O-N 3.12Å; E896-R900 PolarHBondContact O-NE 2.97Å; E897-R900 PolarHBondContact O-N 3.12Å; E897-R900 IonicContact OE1-NH2 2.74Å; R900-R903 PolarHBondContact O-N 2.82Å; R900-K904 WeakPolarHBondContact O-CB 3.47Å; R900-K904 PolarHBondContact O-N 2.94Å
901A90.5Very high90.3Very high49 Ų4984.2 Ų84.241%0.40540%0.403SS..Hα-helixtrans-63.3-46.9175.300000111.7E897 K898 Q899 R903 K904 N905E897-A901 WeakPolarHBondContact O-CB 3.13Å; E897-A901 PolarHBondContact O-N 3.42Å; K898-A901 PolarHBondContact O-N 3Å; Q899-A901 VanDerWaalsContact C-N 3.34Å; Q899-A901 PolarHBondContact O-N 3.05Å; A901-R903 VanDerWaalsContact C-N 3.33Å; A901-R903 PolarHBondContact O-N 3.46Å; A901-K904 PolarHBondContact O-N 3.29Å; A901-N905 PolarHBondContact O-N 3Å
902A91.4Very high89.7Confident35 Ų3590 Ų9029%0.28944%0.435SS..Hα-helixtrans-60.3-41177.200000112.3K898 Q899 N905 R906K898-A902 WeakPolarHBondContact O-CB 3.21Å; K898-A902 PolarHBondContact O-N 3.04Å; Q899-A902 PolarHBondContact O-N 3.49Å; A902-N905 PolarHBondContact O-N 3.07Å; A902-R906 PolarHBondContact O-N 2.82Å
903R88.9Confident89.6Confident138 Ų13892.9 Ų92.952%0.52145%0.446SS..Hα-helixtrans-63.5-44.2174.1-176.7-177.3177.3-167.93.8112.1H651 Q899 R900 A901 N905 R906 S907H651-R903 PolarHBondContact CD2-NH1 3.47Å; H651-R903 PolarHBondContact NE2-NH1 3.01Å; Q899-R903 PolarHBondContact O-N 3.17Å; R900-R903 PolarHBondContact O-N 2.82Å; A901-R903 VanDerWaalsContact C-N 3.33Å; A901-R903 PolarHBondContact O-N 3.46Å; R903-N905 VanDerWaalsContact C-N 3.29Å; R903-N905 PolarHBondContact O-N 2.86Å; R903-R906 PolarHBondContact O-N 3.3Å; R903-S907 PolarHBondContact O-N 3.27Å
904K88.9Confident89.7Confident138 Ų13894.8 Ų94.860%0.645%0.454SS*.Hα-helixtrans-63.3-37.4177.6-170.7178-176.8178.80111.5R900 A901 K908R900-K904 WeakPolarHBondContact O-CB 3.47Å; R900-K904 PolarHBondContact O-N 2.94Å; A901-K904 PolarHBondContact O-N 3.29Å; K904-K908 WeakPolarHBondContact O-CG 3.38Å; K904-K908 PolarHBondContact O-N 2.95Å
905N90.4Very high89.6Confident98 Ų9891.3 Ų91.352%0.52444%0.444SS..Hα-helixtrans-68.5-43176.5-71.4-10.5000112A901 A902 R903 S907 K908 S909A901-N905 PolarHBondContact O-N 3Å; A902-N905 PolarHBondContact O-N 3.07Å; R903-N905 VanDerWaalsContact C-N 3.29Å; R903-N905 PolarHBondContact O-N 2.86Å; N905-S907 PolarHBondContact O-N 3.1Å; N905-K908 PolarHBondContact O-N 3.5Å; N905-K908 VanDerWaalsContact O-N 3.16Å; N905-S909 PolarHBondContact O-N 2.64Å; N905-S909 PolarHBondContact O-OG 2.8Å
906R90.3Very high89.5Confident54 Ų5495.8 Ų95.820%0.20446%0.461CS..Hα-helixtrans-59.2-45.7172.7-77.6-169.2-65.1-91.23.7112.5A902 R903 K908 S909 E910 E911A902-R906 PolarHBondContact O-N 2.82Å; R903-R906 PolarHBondContact O-N 3.3Å; R906-K908 PolarHBondContact O-N 3.49Å; R906-S909 WeakPolarHBondContact CA-OG 3.32Å; R906-S909 PolarHBondContact O-N 3.45Å; R906-S909 VanDerWaalsContact O-N 3.11Å; R906-S909 PolarHBondContact O-OG 3.42Å; R906-E910 PolarHBondContact O-N 3.17Å; R906-E911 PolarHBondContact O-N 2.65Å
907S86.6Confident89.9Confident101 Ų10195.1 Ų95.171%0.70646%0.456SS*.Hα-helixtrans-61.6-26.6176.3-178.60000113.8R903 N905R903-S907 PolarHBondContact O-N 3.27Å; N905-S907 PolarHBondContact O-N 3.1Å
908K88.7Confident90.3Very high153 Ų15391 Ų9167%0.66544%0.437SS*.Hα-helixtrans-85.2-25.8176-75.4178.9175.2-170.20113.6K904 N905 R906K904-K908 WeakPolarHBondContact O-CG 3.38Å; K904-K908 PolarHBondContact O-N 2.95Å; N905-K908 PolarHBondContact O-N 3.5Å; N905-K908 VanDerWaalsContact O-N 3.16Å; R906-K908 PolarHBondContact O-N 3.49Å
909S86.9Confident90.4Very high61 Ų6192.1 Ų92.143%0.42744%0.443SS..Hα-helixtrans-94.4-1.8-178.944.50000112.7N905 R906 E911N905-S909 PolarHBondContact O-N 2.64Å; N905-S909 PolarHBondContact O-OG 2.8Å; R906-S909 WeakPolarHBondContact CA-OG 3.32Å; R906-S909 PolarHBondContact O-N 3.45Å; R906-S909 VanDerWaalsContact O-N 3.11Å; R906-S909 PolarHBondContact O-OG 3.42Å; S909-E911 PolarHBondContact O-N 3.16Å; S909-E911 VanDerWaalsContact O-N 3.14Å
910E85.6Confident90.6Very high183 Ų18395.9 Ų95.986%0.85546%0.461SS*.THydrogen-bonded Turntrans57.121.8-175.8-59.2179.6175.100113.1R906R906-E910 PolarHBondContact O-N 3.17Å
911E85.6Confident90.9Very high133 Ų13390 Ų9062%0.62144%0.443SS*.PPolyproline II helixtrans-86.6122176.3-67.7-177.5166.500110.8R906 S909R906-E911 PolarHBondContact O-N 2.65Å; S909-E911 PolarHBondContact O-N 3.16Å; S909-E911 VanDerWaalsContact O-N 3.14Å
912D84.6Confident91.1Very high159 Ų15992.4 Ų92.485%0.8546%0.455SS*.PPolyproline II helixtrans-73.4144.4172.9-75.6-37.9000112.1K914D912-K914 PolarHBondContact O-N 3.05Å
913W89.9Confident91.3Very high72 Ų7290.8 Ų90.827%0.27344%0.441SS..PPolyproline II helixtrans-71.3123172.5175.2-98.6000110.5L628 P946L628-W913 HydrophobicContact CD2-CB 4.39Å; L628-W913 HydrophobicContact CD2-CD2 3.63Å; L628-W913 HydrophobicContact CD2-CE3 4.09Å; L628-W913 HydrophobicContact CD2-CG 3.75Å; L628-W913 HydrophobicContact CD2-CZ2 4.43Å; L628-W913 HydrophobicContact CG-CD2 3.96Å; L628-W913 HydrophobicContact CG-CG 4.29Å; L628-W913 HydrophobicContact CG-CH2 4.43Å; L628-W913 HydrophobicContact CG-CZ2 3.89Å; W913-P946 HydrophobicContact CH2-CB 3.83Å; W913-P946 HydrophobicContact CH2-CG 3.55Å; W913-P946 HydrophobicContact CZ2-CG 4.18Å; W913-P946 HydrophobicContact CZ3-CG 4.41Å
914K89.4Confident91.5Very high158 Ų15888.6 Ų88.669%0.68745%0.445SS*.PPolyproline II helixtrans-103.6116173-171.7175.5179.5178.90110.6D912D912-K914 PolarHBondContact O-N 3.05Å
915T93.1Very high91.9Very high23 Ų2385.9 Ų85.914%0.14143%0.432CS..PPolyproline II helixtrans-62.3148.7168.249.80000110.6V648 F918 W931V648-T915 HydrophobicContact CB-CG2 3.81Å; V648-T915 HydrophobicContact CG1-CG2 4.05Å; V648-T915 WeakPolarHBondContact O-CG2 3.48Å; T915-F918 WeakPolarHBondContact CB-O 3.44Å; T915-F918 PolarHBondContact OG1-O 3.4Å; T915-W931 HydrophobicContact CG2-CH2 3.81Å; T915-W931 HydrophobicContact CG2-CZ3 3.65Å
916R94Very high92.1Very high94 Ų9484.6 Ų84.636%0.35542%0.424SS..SBendtrans-96.3-41.4-170.3-62.3-58.7176.6158.10.6113.1E646 N944 P946E646-R916 PolarHBondContact OE1-N 2.85Å; E646-R916 PolarHBondContact OE2-N 2.84Å; R916-N944 PolarHBondContact NH2-O 3.21Å; R916-P946 HydrophobicContact CG-CG 4.36Å
917W97.4Very high92.2Very high27 Ų2784.6 Ų84.610%0.10244%0.442CS..SBendtrans-114.1-14.4-168.6-48.2115.2000112.8E646 Y933 S934 Y937 Y942 L945E646-W917 WeakPolarHBondContact OE2-CB 3.36Å; E646-W917 PolarHBondContact OE2-N 3.36Å; W917-Y933 HydrophobicContact CB-CE2 4.47Å; W917-Y933 WeakPolarHBondContact O-CD2 3.35Å; W917-S934 WeakPolarHBondContact O-CB 3.42Å; W917-S934 PolarHBondContact O-N 3.13Å; W917-S934 PolarHBondContact O-OG 3.36Å; W917-S934 VanDerWaalsContact O-OG 3.1Å; W917-Y937 AromaticContact CD1-CD2 3.93Å; W917-Y937 AromaticContact CD2-CD2 3.6Å; W917-Y937 HydrophobicContact CD2-CD2 3.6Å; W917-Y937 HydrophobicContact CD2-CG 4.35Å; W917-Y937 AromaticContact CE2-CD2 3.47Å; W917-Y937 VanDerWaalsContact CE2-CD2 3.47Å; W917-Y937 HydrophobicContact CE3-CD2 4.1Å; W917-Y937 HydrophobicContact CE3-CG 4.5Å; W917-Y937 AromaticContact CG-CD2 3.88Å; W917-Y937 HydrophobicContact CG-CD2 3.88Å; W917-Y937 HydrophobicContact CH2-CD2 4.31Å; W917-Y937 AromaticContact CZ2-CD2 3.84Å; W917-Y937 HydrophobicContact CZ2-CD2 3.84Å; W917-Y937 HydrophobicContact CZ2-CE2 4.35Å; W917-Y937 HydrophobicContact CZ3-CD2 4.43Å; W917-Y937 AromaticContact NE1-CD2 3.69Å; W917-Y937 AromaticContact NE1-CE2 3.94Å; W917-Y942 AromaticContact CH2-CD1 3.78Å; W917-Y942 HydrophobicContact CH2-CD1 3.78Å; W917-Y942 AromaticContact CH2-CE1 3.87Å; W917-Y942 HydrophobicContact CH2-CE1 3.87Å; W917-Y942 AromaticContact CZ2-CD1 3.75Å; W917-Y942 HydrophobicContact CZ2-CD1 3.75Å; W917-Y942 AromaticContact CZ2-CE1 3.8Å; W917-Y942 HydrophobicContact CZ2-CE1 3.8Å; W917-L945 HydrophobicContact CH2-CD2 4.32Å; W917-L945 HydrophobicContact CZ2-CD2 3.64Å
918F97.9Very high92.5Very high2 Ų281.7 Ų81.71%0.00942%0.423CS..EExtended strand (participates in β ladder)trans-126149.5179.2-64.3-97.7000111.4E646 V648 A656 H658 T915 W931 I932 Y933E646-F918 HydrophobicContact CB-CD2 3.64Å; E646-F918 HydrophobicContact CB-CE2 3.75Å; V648-F918 HydrophobicContact CG1-CB 3.78Å; V648-F918 HydrophobicContact CG1-CD2 4.25Å; V648-F918 HydrophobicContact CG1-CG 4.2Å; A656-F918 HydrophobicContact CB-CB 4.35Å; A656-F918 HydrophobicContact CB-CD1 3.59Å; A656-F918 HydrophobicContact CB-CD2 4.14Å; A656-F918 HydrophobicContact CB-CE1 3.83Å; A656-F918 HydrophobicContact CB-CE2 4.37Å; A656-F918 HydrophobicContact CB-CG 3.76Å; A656-F918 HydrophobicContact CB-CZ 4.22Å; H658-F918 HydrophobicContact CB-CE1 3.97Å; H658-F918 HydrophobicContact CB-CZ 4.05Å; T915-F918 WeakPolarHBondContact CB-O 3.44Å; T915-F918 PolarHBondContact OG1-O 3.4Å; F918-W931 HydrophobicContact CB-CB 4.4Å; F918-W931 HydrophobicContact CB-CE3 4.02Å; F918-I932 CarbonylContact C-O 3.53Å; F918-I932 VanDerWaalsContact CA-O 3.26Å; F918-I932 WeakPolarHBondContact CA-O 3.18Å; F918-Y933 HydrophobicContact CE1-CD2 4.46Å; F918-Y933 HydrophobicContact CZ-CD2 4.32Å
919H96.6Very high92.8Very high89 Ų8981.4 Ų81.441%0.41243%0.425SS..EExtended strand (participates in β ladder)trans-129.4153.8171.963.1-83000110.2W931 I932 S934H919-W931 CarbonylContact O-C 3.58Å; H919-W931 WeakPolarHBondContact O-CA 3.2Å; H919-I932 PolarHBondContact N-O 3.35Å; H919-I932 PolarHBondContact ND1-O 3.39Å; H919-I932 PolarHBondContact O-N 3.22Å; H919-S934 PolarHBondContact ND1-OG 3.06Å
920Q96.3Very high93.2Very high107 Ų10778.6 Ų78.650%0.541%0.405SS..EExtended strand (participates in β ladder)trans-74.4134.7174.9-67.8-173-1100110.4D930 W931Q920-D930 WeakPolarHBondContact CA-O 3.34Å; Q920-W931 HydrophobicContact CG-CD2 3.82Å; Q920-W931 HydrophobicContact CG-CE3 3.84Å; Q920-W931 HydrophobicContact CG-CH2 3.59Å; Q920-W931 HydrophobicContact CG-CZ2 3.55Å; Q920-W931 HydrophobicContact CG-CZ3 3.71Å
921G95.6Very high93.7Very high16 Ų1671.1 Ų71.117%0.16537%0.369CS..EExtended strand (participates in β ladder)trans-159.6163.7176.300000111.3D930G921-D930 PolarHBondContact N-O 3.02Å; G921-D930 PolarHBondContact O-N 2.92Å; G921-D930 VanDerWaalsContact O-O 3.1Å
922P96Very high94.3Very high99 Ų9966.8 Ų66.864%0.64335%0.349SS*.EExtended strand (participates in β ladder)trans-70.6135.3171.530.1-32.7000109.7A928P922-A928 CarbonylContact C-O 3.59Å; P922-A928 WeakPolarHBondContact CA-O 3.31Å
923N94.6Very high94.9Very high2 Ų260.7 Ų60.71%0.01132%0.315CS..  trans-59.3127.2168-177.7-73.9000108.6T692 Y925 N926 G927 A928 D930T692-N923 PolarHBondContact OG1-ND2 2.92Å; N923-Y925 PolarHBondContact O-N 2.8Å; N923-Y925 VanDerWaalsContact O-N 3.08Å; N923-Y925 PolarHBondContact OD1-N 2.98Å; N923-N926 VanDerWaalsContact CB-OD1 3.3Å; N923-N926 WeakPolarHBondContact CB-OD1 3.26Å; N923-N926 PolarHBondContact OD1-N 3.02Å; N923-G927 WeakPolarHBondContact O-CA 3.38Å; N923-G927 PolarHBondContact O-N 3.49Å; N923-A928 PolarHBondContact N-O 2.92Å; N923-D930 HydrophobicContact CB-CB 4.15Å; N923-D930 PolarHBondContact ND2-OD2 2.86Å
924P94.1Very high95.2Very high91 Ų9160 Ų6059%0.59132%0.321SS*.THydrogen-bonded Turntrans-67.3-15.3-169.525.1-33.5000113.8
925Y96.3Very high95.5Very high82 Ų8253.7 Ų53.732%0.32230%0.3SS..THydrogen-bonded Turntrans-103.1-35.2-173.5-54.9-66.2000113.8T692 E694 A701 T703 H732 N923T692-Y925 HydrophobicContact CG2-CD2 3.75Å; T692-Y925 HydrophobicContact CG2-CE2 3.73Å; E694-Y925 VanDerWaalsContact CD-OH 3.26Å; E694-Y925 HydrophobicContact CG-CE2 4.09Å; E694-Y925 WeakPolarHBondContact OE1-CE2 3.17Å; E694-Y925 PolarHBondContact OE1-OH 3.46Å; A701-Y925 HydrophobicContact CB-CD1 3.62Å; A701-Y925 HydrophobicContact CB-CD2 3.73Å; A701-Y925 HydrophobicContact CB-CE1 3.28Å; A701-Y925 HydrophobicContact CB-CE2 3.39Å; A701-Y925 HydrophobicContact CB-CG 3.84Å; T703-Y925 HydrophobicContact CG2-CD2 4.43Å; H732-Y925 HydrophobicContact CB-CD1 4.24Å; H732-Y925 PolarHBondContact CE1-O 2.78Å; N923-Y925 PolarHBondContact O-N 2.8Å; N923-Y925 VanDerWaalsContact O-N 3.08Å; N923-Y925 PolarHBondContact OD1-N 2.98Å
926N93.9Very high95.5Very high70 Ų7056.1 Ų56.137%0.37432%0.319SS..THydrogen-bonded Turntrans-119.8-6-177.972.115.9000114.4T690 N923 A928T690-N926 VanDerWaalsContact CG2-ND2 3.32Å; T690-N926 WeakPolarHBondContact CG2-ND2 3.45Å; T690-N926 PolarHBondContact OG1-ND2 2.79Å; N923-N926 VanDerWaalsContact CB-OD1 3.3Å; N923-N926 WeakPolarHBondContact CB-OD1 3.26Å; N923-N926 PolarHBondContact OD1-N 3.02Å; N926-A928 PolarHBondContact O-N 3.04Å; N926-A928 WeakPolarHBondContact OD1-CB 3.4Å; N926-A928 PolarHBondContact OD1-N 2.83Å
927G93.4Very high95.7Very high55 Ų5551.7 Ų51.757%0.56730%0.302SS*.  trans72.52.6179.300000115.5N923N923-G927 WeakPolarHBondContact O-CA 3.38Å; N923-G927 PolarHBondContact O-N 3.49Å
928A93.3Very high95.6Very high39 Ų3951.9 Ų51.932%0.32230%0.302SS..  trans-67.9150.8176.200000111P922 N923 N926 D930P922-A928 CarbonylContact C-O 3.59Å; P922-A928 WeakPolarHBondContact CA-O 3.31Å; N923-A928 PolarHBondContact N-O 2.92Å; N926-A928 PolarHBondContact O-N 3.04Å; N926-A928 WeakPolarHBondContact OD1-CB 3.4Å; N926-A928 PolarHBondContact OD1-N 2.83Å; A928-D930 PolarHBondContact O-N 3.47Å
929Q94.1Very high95.5Very high148 Ų14856.6 Ų56.669%0.69233%0.328SS*.EExtended strand (participates in β ladder)trans-66130.3173.7-170.8178.613.700110.1
930D95.1Very high95.4Very high1 Ų155.9 Ų55.91%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-142.2173-176.5-153-7.2000111.1S671 Q920 G921 N923 A928 I932S671-D930 PolarHBondContact OG-OD1 3.04Å; Q920-D930 WeakPolarHBondContact CA-O 3.34Å; G921-D930 PolarHBondContact N-O 3.02Å; G921-D930 PolarHBondContact O-N 2.92Å; G921-D930 VanDerWaalsContact O-O 3.1Å; N923-D930 HydrophobicContact CB-CB 4.15Å; N923-D930 PolarHBondContact ND2-OD2 2.86Å; A928-D930 PolarHBondContact O-N 3.47Å; D930-I932 HydrophobicContact CB-CD1 4.11Å
931W97.2Very high95.2Very high26 Ų2657.3 Ų57.310%0.09833%0.333CS..EExtended strand (participates in β ladder)trans-111.5110.5173-73.389.1000109.7V648 A656 T915 F918 H919 Q920V648-W931 HydrophobicContact CB-CD2 3.84Å; V648-W931 HydrophobicContact CB-CE3 3.83Å; V648-W931 HydrophobicContact CB-CH2 3.9Å; V648-W931 HydrophobicContact CB-CZ2 3.9Å; V648-W931 HydrophobicContact CB-CZ3 3.88Å; V648-W931 HydrophobicContact CG1-CD2 4.13Å; V648-W931 HydrophobicContact CG1-CE3 3.87Å; V648-W931 HydrophobicContact CG1-CZ3 4.2Å; V648-W931 HydrophobicContact CG2-CD2 3.59Å; V648-W931 VanDerWaalsContact CG2-CE2 3.47Å; V648-W931 HydrophobicContact CG2-CE3 4.13Å; V648-W931 HydrophobicContact CG2-CG 3.86Å; V648-W931 HydrophobicContact CG2-CH2 4.37Å; V648-W931 HydrophobicContact CG2-CZ2 3.86Å; V648-W931 HydrophobicContact CG2-CZ3 4.5Å; A656-W931 HydrophobicContact CB-CB 3.65Å; A656-W931 HydrophobicContact CB-CG 4.32Å; T915-W931 HydrophobicContact CG2-CH2 3.81Å; T915-W931 HydrophobicContact CG2-CZ3 3.65Å; F918-W931 HydrophobicContact CB-CB 4.4Å; F918-W931 HydrophobicContact CB-CE3 4.02Å; H919-W931 CarbonylContact O-C 3.58Å; H919-W931 WeakPolarHBondContact O-CA 3.2Å; Q920-W931 HydrophobicContact CG-CD2 3.82Å; Q920-W931 HydrophobicContact CG-CE3 3.84Å; Q920-W931 HydrophobicContact CG-CH2 3.59Å; Q920-W931 HydrophobicContact CG-CZ2 3.55Å; Q920-W931 HydrophobicContact CG-CZ3 3.71Å
932I97.2Very high95.1Very high42 Ų4259.3 Ų59.322%0.21534%0.335CS..EExtended strand (participates in β ladder)trans-98.6136-173.6-50.9-57.9000109.6F918 H919 D930F918-I932 CarbonylContact C-O 3.53Å; F918-I932 VanDerWaalsContact CA-O 3.26Å; F918-I932 WeakPolarHBondContact CA-O 3.18Å; H919-I932 PolarHBondContact N-O 3.35Å; H919-I932 PolarHBondContact ND1-O 3.39Å; H919-I932 PolarHBondContact O-N 3.22Å; D930-I932 HydrophobicContact CB-CD1 4.11Å
933Y98.1Very high94.7Very high31 Ų3163.1 Ų63.112%0.12234%0.342CS..EExtended strand (participates in β ladder)trans-64.1135.1176.1176.9-124.7000110.9I644 H658 W917 F918 G935 Y937I644-Y933 HydrophobicContact CG2-CD2 4.21Å; I644-Y933 HydrophobicContact CG2-CE2 3.94Å; H658-Y933 HydrophobicContact CB-CD1 4.45Å; H658-Y933 HydrophobicContact CB-CG 4.01Å; H658-Y933 AromaticContact CD2-CD1 3.43Å; H658-Y933 VanDerWaalsContact CD2-CD1 3.43Å; H658-Y933 WeakPolarHBondContact CD2-CD1 3.47Å; H658-Y933 AromaticContact CD2-CE1 3.95Å; H658-Y933 AromaticContact CD2-CG 3.88Å; H658-Y933 AromaticContact CE1-CD1 3.82Å; H658-Y933 AromaticContact CG-CD1 3.73Å; H658-Y933 AromaticContact CG-CG 3.73Å; H658-Y933 WeakPolarHBondContact ND1-CB 3.27Å; H658-Y933 AromaticContact ND1-CD1 3.98Å; H658-Y933 AromaticContact NE2-CD1 3.48Å; H658-Y933 WeakPolarHBondContact NE2-CD1 3.35Å; W917-Y933 HydrophobicContact CB-CE2 4.47Å; W917-Y933 WeakPolarHBondContact O-CD2 3.35Å; F918-Y933 HydrophobicContact CE1-CD2 4.46Å; F918-Y933 HydrophobicContact CZ-CD2 4.32Å; Y933-G935 VanDerWaalsContact CE1-CA 3.44Å; Y933-G935 VanDerWaalsContact OH-C 3.27Å; Y933-Y937 WeakPolarHBondContact OH-CB 3.49Å; Y933-Y937 PolarHBondContact OH-N 2.81Å; Y933-Y937 VanDerWaalsContact OH-N 3.13Å
934S96.6Very high94.5Very high59 Ų5968.4 Ų68.441%0.41337%0.371SS..  trans-95.3-0.1-173.1-47.80000113W917 H919W917-S934 WeakPolarHBondContact O-CB 3.42Å; W917-S934 PolarHBondContact O-N 3.13Å; W917-S934 PolarHBondContact O-OG 3.36Å; W917-S934 VanDerWaalsContact O-OG 3.1Å; H919-S934 PolarHBondContact ND1-OG 3.06Å
935G94.2Very high94.4Very high24 Ų2464.9 Ų64.925%0.24735%0.347CS..SBendtrans79.2-173.3-172.800000113.6Y933 Y937Y933-G935 VanDerWaalsContact CE1-CA 3.44Å; Y933-G935 VanDerWaalsContact OH-C 3.27Å; G935-Y937 PolarHBondContact O-N 2.9Å
936S94.3Very high94.2Very high75 Ų7561.7 Ų61.752%0.52434%0.336SS..  trans66.6-9.5170-37.90000118.3W938 D939S936-W938 VanDerWaalsContact C-N 3.29Å; S936-W938 PolarHBondContact O-N 2.88Å; S936-D939 WeakPolarHBondContact CA-OD2 3.17Å; S936-D939 WeakPolarHBondContact O-CB 3.4Å; S936-D939 PolarHBondContact O-N 2.97Å
937Y96.8Very high94.2Very high0 Ų063.3 Ų63.30%035%0.345CS..G310 helixtrans-59-43.5177.7177.7-92.2000112E633 I644 P867 W917 Y933 G935 D939 R940 Y942E633-Y937 HydrophobicContact CB-CE1 3.91Å; E633-Y937 HydrophobicContact CG-CE1 4.43Å; E633-Y937 WeakPolarHBondContact OE2-CE1 3.46Å; I644-Y937 HydrophobicContact CB-CD1 4.01Å; I644-Y937 HydrophobicContact CB-CE1 4.25Å; I644-Y937 HydrophobicContact CB-CG 4.36Å; I644-Y937 HydrophobicContact CD1-CD1 3.86Å; I644-Y937 HydrophobicContact CD1-CD2 3.69Å; I644-Y937 HydrophobicContact CD1-CE1 3.5Å; I644-Y937 HydrophobicContact CD1-CE2 3.33Å; I644-Y937 HydrophobicContact CD1-CG 3.95Å; I644-Y937 HydrophobicContact CG1-CD1 3.77Å; I644-Y937 HydrophobicContact CG1-CD2 3.84Å; I644-Y937 HydrophobicContact CG1-CE1 3.95Å; I644-Y937 HydrophobicContact CG1-CE2 4.02Å; I644-Y937 HydrophobicContact CG1-CG 3.71Å; P867-Y937 WeakPolarHBondContact CD-OH 3.32Å; P867-Y937 HydrophobicContact CG-CE2 3.94Å; P867-Y937 WeakPolarHBondContact CG-OH 3.18Å; W917-Y937 AromaticContact CD1-CD2 3.93Å; W917-Y937 AromaticContact CD2-CD2 3.6Å; W917-Y937 HydrophobicContact CD2-CD2 3.6Å; W917-Y937 HydrophobicContact CD2-CG 4.35Å; W917-Y937 AromaticContact CE2-CD2 3.47Å; W917-Y937 VanDerWaalsContact CE2-CD2 3.47Å; W917-Y937 HydrophobicContact CE3-CD2 4.1Å; W917-Y937 HydrophobicContact CE3-CG 4.5Å; W917-Y937 AromaticContact CG-CD2 3.88Å; W917-Y937 HydrophobicContact CG-CD2 3.88Å; W917-Y937 HydrophobicContact CH2-CD2 4.31Å; W917-Y937 AromaticContact CZ2-CD2 3.84Å; W917-Y937 HydrophobicContact CZ2-CD2 3.84Å; W917-Y937 HydrophobicContact CZ2-CE2 4.35Å; W917-Y937 HydrophobicContact CZ3-CD2 4.43Å; W917-Y937 AromaticContact NE1-CD2 3.69Å; W917-Y937 AromaticContact NE1-CE2 3.94Å; Y933-Y937 WeakPolarHBondContact OH-CB 3.49Å; Y933-Y937 PolarHBondContact OH-N 2.81Å; Y933-Y937 VanDerWaalsContact OH-N 3.13Å; G935-Y937 PolarHBondContact O-N 2.9Å; Y937-D939 PolarHBondContact O-N 2.86Å; Y937-R940 PolarHBondContact O-N 2.88Å; Y937-Y942 HydrophobicContact CD2-CE1 4.18Å; Y937-Y942 HydrophobicContact CE2-CE1 4.09Å; Y937-Y942 PolarHBondContact O-OH 3.1Å
938W96.6Very high94.2Very high31 Ų3161.6 Ų61.612%0.11732%0.322CS..G310 helixtrans-72.3-8.8-178.2-59.2113.3000113.9E633 V635 R642 L643 I644 S936 R940E633-W938 HydrophobicContact CB-CH2 4.08Å; E633-W938 HydrophobicContact CB-CZ3 4.41Å; E633-W938 WeakPolarHBondContact OE2-CZ3 3.41Å; V635-W938 HydrophobicContact CG2-CH2 3.92Å; V635-W938 HydrophobicContact CG2-CZ3 3.62Å; R642-W938 HydrophobicContact CB-CH2 3.73Å; R642-W938 HydrophobicContact CB-CZ2 3.72Å; R642-W938 HydrophobicContact CB-CZ3 4.34Å; R642-W938 HydrophobicContact CG-CH2 4.21Å; R642-W938 HydrophobicContact CG-CZ2 3.72Å; L643-W938 WeakPolarHBondContact O-CH2 3.43Å; I644-W938 HydrophobicContact CB-CZ2 4.05Å; I644-W938 HydrophobicContact CG2-CZ2 4.31Å; S936-W938 VanDerWaalsContact C-N 3.29Å; S936-W938 PolarHBondContact O-N 2.88Å; W938-R940 PolarHBondContact O-N 2.84Å
939D95.8Very high94.4Very high101 Ų10161.3 Ų61.354%0.5431%0.313SS..G310 helixtrans-77.6-9.2177.8-58.6-16.5000112.5S936 Y937 N941S936-D939 WeakPolarHBondContact CA-OD2 3.17Å; S936-D939 WeakPolarHBondContact O-CB 3.4Å; S936-D939 PolarHBondContact O-N 2.97Å; Y937-D939 PolarHBondContact O-N 2.86Å; D939-N941 PolarHBondContact O-N 3.4Å
940R93.9Very high94.4Very high74 Ų7457 Ų5728%0.27929%0.294SS..  trans60.76.5175.8-50.2-55.7-178.7170.1-0.9116.4E633 V865 Y937 W938 Y942E633-R940 IonicContact OE1-CZ 2.85Å; E633-R940 IonicContact OE1-NH1 2.7Å; E633-R940 PolarHBondContact OE1-NH1 2.75Å; E633-R940 IonicContact OE1-NH2 3.77Å; E633-R940 PolarHBondContact OE1-NH2 3.31Å; E633-R940 IonicContact OE2-CZ 3.47Å; E633-R940 IonicContact OE2-NH1 3.82Å; E633-R940 PolarHBondContact OE2-NH1 3.41Å; E633-R940 IonicContact OE2-NH2 3.77Å; E633-R940 PolarHBondContact OE2-NH2 3.44Å; V865-R940 HydrophobicContact CG1-CG 4.28Å; Y937-R940 PolarHBondContact O-N 2.88Å; W938-R940 PolarHBondContact O-N 2.84Å; R940-Y942 HydrophobicContact CB-CE2 4.42Å; R940-Y942 VanDerWaalsContact CD-OH 3.28Å; R940-Y942 WeakPolarHBondContact CD-OH 3.41Å; R940-Y942 PolarHBondContact NH1-OH 2.93Å; R940-Y942 PolarHBondContact O-N 3.1Å
941N92.4Very high94.3Very high138 Ų13859.9 Ų59.974%0.73831%0.31SS*.  trans-7760.8177.3-64.7-39.4000111.7D939 F943D939-N941 PolarHBondContact O-N 3.4Å; N941-F943 PolarHBondContact O-N 2.96Å; N941-F943 VanDerWaalsContact O-N 3.08Å
942Y92.6Very high94.2Very high57 Ų5761.8 Ų61.822%0.22432%0.321CS..  trans-71.8102.4-175.2-61.5-45.6000112V865 P867 W917 Y937 R940 L945V865-Y942 WeakPolarHBondContact O-CE2 3.27Å; P867-Y942 HydrophobicContact CB-CD1 4.17Å; P867-Y942 HydrophobicContact CB-CD2 3.99Å; P867-Y942 HydrophobicContact CB-CE1 4.09Å; P867-Y942 HydrophobicContact CB-CE2 3.88Å; P867-Y942 HydrophobicContact CB-CG 4.14Å; P867-Y942 HydrophobicContact CG-CE1 4.43Å; P867-Y942 HydrophobicContact CG-CE2 4.36Å; W917-Y942 AromaticContact CH2-CD1 3.78Å; W917-Y942 HydrophobicContact CH2-CD1 3.78Å; W917-Y942 AromaticContact CH2-CE1 3.87Å; W917-Y942 HydrophobicContact CH2-CE1 3.87Å; W917-Y942 AromaticContact CZ2-CD1 3.75Å; W917-Y942 HydrophobicContact CZ2-CD1 3.75Å; W917-Y942 AromaticContact CZ2-CE1 3.8Å; W917-Y942 HydrophobicContact CZ2-CE1 3.8Å; Y937-Y942 HydrophobicContact CD2-CE1 4.18Å; Y937-Y942 HydrophobicContact CE2-CE1 4.09Å; Y937-Y942 PolarHBondContact O-OH 3.1Å; R940-Y942 HydrophobicContact CB-CE2 4.42Å; R940-Y942 VanDerWaalsContact CD-OH 3.28Å; R940-Y942 WeakPolarHBondContact CD-OH 3.41Å; R940-Y942 PolarHBondContact NH1-OH 2.93Å; R940-Y942 PolarHBondContact O-N 3.1Å; Y942-L945 HydrophobicContact CD1-CD1 3.79Å; Y942-L945 HydrophobicContact CG-CD1 3.8Å
943F89.4Confident94Very high179 Ų17963 Ų6379%0.78533%0.327SS*.  trans-120.6135.4177.3-177.3-102.1000111.4N941 L945N941-F943 PolarHBondContact O-N 2.96Å; N941-F943 VanDerWaalsContact O-N 3.08Å; F943-L945 VanDerWaalsContact C-N 3.28Å; F943-L945 PolarHBondContact O-N 2.95Å
944N88.9Confident93.7Very high113 Ų11365 Ų6560%0.60434%0.34SS*.SBendtrans5142.4175.6-16522.7000114.3R916R916-N944 PolarHBondContact NH2-O 3.21Å
945L92.5Very high93.5Very high17 Ų1765.4 Ų65.49%0.08934%0.336CS..  trans-72.8151.7176.2-63.3-172.4000111.7P867 K868 W917 Y942 F943P867-L945 HydrophobicContact CB-CD1 3.54Å; K868-L945 WeakPolarHBondContact CE-O 3.36Å; K868-L945 PolarHBondContact NZ-O 3.4Å; W917-L945 HydrophobicContact CH2-CD2 4.32Å; W917-L945 HydrophobicContact CZ2-CD2 3.64Å; Y942-L945 HydrophobicContact CD1-CD1 3.79Å; Y942-L945 HydrophobicContact CG-CD1 3.8Å; F943-L945 VanDerWaalsContact C-N 3.28Å; F943-L945 PolarHBondContact O-N 2.95Å
946P91.2Very high93.5Very high15 Ų1568.4 Ų68.410%0.09734%0.342CS..  trans-52.1140.2173.3-25.534.9000112.5K868 T869 W913 R916 I948K868-P946 WeakPolarHBondContact CE-O 3.49Å; K868-P946 PolarHBondContact NZ-O 3.28Å; T869-P946 HydrophobicContact CG2-CB 4.29Å; T869-P946 VanDerWaalsContact CG2-O 3.32Å; T869-P946 WeakPolarHBondContact CG2-O 3.47Å; W913-P946 HydrophobicContact CH2-CB 3.83Å; W913-P946 HydrophobicContact CH2-CG 3.55Å; W913-P946 HydrophobicContact CZ2-CG 4.18Å; W913-P946 HydrophobicContact CZ3-CG 4.41Å; R916-P946 HydrophobicContact CG-CG 4.36Å; P946-I948 HydrophobicContact CB-CG2 3.84Å
947D94.1Very high93.4Very high104 Ų10467.8 Ų67.856%0.55633%0.328SS*.  trans-101.6102.7169.1178.136000109.7K898K898-D947 WeakPolarHBondContact CE-O 3.4Å; K898-D947 VanDerWaalsContact NZ-CG 3.29Å; K898-D947 IonicContact NZ-OD1 2.96Å; K898-D947 PolarHBondContact NZ-OD1 3.33Å; K898-D947 IonicContact NZ-OD2 2.69Å; K898-D947 PolarHBondContact NZ-OD2 3.47Å
948I95.2Very high93.2Very high19 Ų1973.5 Ų73.510%0.09736%0.355CS..  trans-116.7-17-167.859.4174.3000113.9L627 E630 T869 P946L627-I948 HydrophobicContact CB-CD1 4.44Å; L627-I948 HydrophobicContact CD1-CB 4.23Å; L627-I948 WeakPolarHBondContact CD1-O 3.4Å; E630-I948 VanDerWaalsContact CA-CD1 3.44Å; E630-I948 HydrophobicContact CB-CD1 3.88Å; E630-I948 HydrophobicContact CG-CD1 4.46Å; T869-I948 HydrophobicContact CG2-CD1 4.04Å; T869-I948 HydrophobicContact CG2-CG1 4.26Å; P946-I948 HydrophobicContact CB-CG2 3.84Å
949Y95.4Very high92.8Very high34 Ų3477.4 Ų77.413%0.13338%0.377CS..  trans-95.80179.3-57.6-35.3000114L627 E630 K868 T869 D870 C871 L873 R874 R894 L895 K898L627-Y949 HydrophobicContact CD1-CD1 4Å; L627-Y949 HydrophobicContact CD1-CE1 3.95Å; E630-Y949 WeakPolarHBondContact CG-OH 3.3Å; K868-Y949 WeakPolarHBondContact O-CD2 3.42Å; K868-Y949 WeakPolarHBondContact O-CE2 3.43Å; T869-Y949 PolarHBondContact O-OH 3.26Å; T869-Y949 VanDerWaalsContact O-OH 3.13Å; D870-Y949 WeakPolarHBondContact O-CE2 3.45Å; D870-Y949 PolarHBondContact O-OH 3.35Å; C871-Y949 VanDerWaalsContact CA-OH 3.27Å; C871-Y949 WeakPolarHBondContact CA-OH 3.19Å; C871-Y949 PolarHBondContact N-OH 2.82Å; L873-Y949 HydrophobicContact CB-CD2 4.1Å; L873-Y949 HydrophobicContact CB-CE2 3.98Å; R874-Y949 HydrophobicContact CB-CD1 4.21Å; R874-Y949 HydrophobicContact CB-CE1 3.64Å; R874-Y949 HydrophobicContact CB-CE2 4.16Å; R874-Y949 HydrophobicContact CG-CD1 3.8Å; R874-Y949 HydrophobicContact CG-CE1 3.36Å; R894-Y949 PolarHBondContact NH1-OXT 2.99Å; R894-Y949 PolarHBondContact NH2-OXT 3.35Å; L895-Y949 VanDerWaalsContact CD2-CA 3.46Å; L895-Y949 HydrophobicContact CD2-CD1 4.05Å; L895-Y949 WeakPolarHBondContact CD2-OXT 3.46Å; K898-Y949 PolarHBondContact NZ-O 2.99Å

Retrieved 949 of 949 residues in 6712.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).