G4V7H9_SCHMA Loading...

Palmitoyltransferase

AlphaFold DB , UniProt , Accession G4V7H9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 494 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
1M36.2Very low64.5Low232 Ų232103.2 Ų103.2100%1.14357%0.568SS**  080.20-167.9158.8153.300107.7L3M1-L3 PolarHBondContact O-N 3.4Å; M1-L3 VanDerWaalsContact O-N 3.16Å
2S36.5Very low67.2Low109 Ų10997.1 Ų97.176%0.76253%0.534SS*.  trans-71.3104173.649.60000107.2D4S2-D4 PolarHBondContact O-N 3.31Å
3L39.4Very low69.5Low143 Ų14389.6 Ų89.675%0.74949%0.493SS*.  trans-58.898.9163.3-78.7159000106.2M1 T5M1-L3 PolarHBondContact O-N 3.4Å; M1-L3 VanDerWaalsContact O-N 3.16Å; L3-T5 HydrophobicContact CB-CG2 4.34Å; L3-T5 PolarHBondContact O-N 3.33Å
4D44Very low71.5Confident148 Ų14890.9 Ų90.979%0.79149%0.487SS*.  trans-57.283.8157.3-95.7-18.8000105.9S2 K6S2-D4 PolarHBondContact O-N 3.31Å; D4-K6 PolarHBondContact O-N 3.15Å
5T45.5Very low73.1Confident123 Ų12386.3 Ų86.376%0.75547%0.465SS*.  trans-69.977.1164.746.30000105.1L3 S7L3-T5 HydrophobicContact CB-CG2 4.34Å; L3-T5 PolarHBondContact O-N 3.33Å; T5-S7 PolarHBondContact O-N 3.46Å
6K55.6Low74.4Confident145 Ų14589.9 Ų89.963%0.6348%0.483SS*.  trans-50.6107.7177.4-138.1173.6-170.5172.40106.3D4 S8 K90D4-K6 PolarHBondContact O-N 3.15Å; K6-S8 PolarHBondContact O-N 3.27Å; K6-K90 HydrophobicContact CD-CD 4.43Å
7S79.2Confident75.5Confident67 Ų6790.4 Ų90.447%0.46949%0.492SS..PPolyproline II helixtrans-60.6122.9-171179.30000108.6T5 V91 N126T5-S7 PolarHBondContact O-N 3.46Å; S7-V91 WeakPolarHBondContact O-CB 3.27Å; S7-V91 PolarHBondContact O-N 3.27Å; S7-V91 VanDerWaalsContact O-N 3.08Å; S7-N126 PolarHBondContact OG-ND2 2.95Å
8S89.2Confident76.6Confident68 Ų6888.7 Ų88.748%0.47648%0.482SS..BIsolated β-bridgetrans-93139.9178.461.50000109.8K6K6-S8 PolarHBondContact O-N 3.27Å
9S93.1Very high77.6Confident6 Ų686.8 Ų86.84%0.04247%0.47CS..PPolyproline II helixtrans-73.1137.517357.20000110.2Q84 N89 C125 N126S9-Q84 PolarHBondContact OG-NE2 3.03Å; S9-N89 PolarHBondContact N-O 3.35Å; S9-N89 PolarHBondContact O-ND2 2.97Å; S9-N89 WeakPolarHBondContact OG-CB 3.45Å; S9-N89 PolarHBondContact OG-O 3.24Å; S9-C125 WeakPolarHBondContact CA-O 3.38Å; S9-N126 WeakPolarHBondContact CB-O 3.44Å
10R94.7Very high78.6Confident34 Ų3487.4 Ų87.413%0.12848%0.478CS..PPolyproline II helixtrans-65.9139.1173.9-68.7-178.7155.1-86.4-12.3109.6S15 L16 P17 C125 K127 N140R10-S15 PolarHBondContact NH1-O 3.1Å; R10-L16 PolarHBondContact NH2-O 3.41Å; R10-P17 PolarHBondContact NH2-O 3.32Å; R10-C125 HydrophobicContact CB-CB 4.3Å; R10-C125 PolarHBondContact N-O 2.92Å; R10-K127 WeakPolarHBondContact O-CD 3.22Å; R10-K127 WeakPolarHBondContact O-CE 3.29Å; R10-K127 PolarHBondContact O-NZ 3.18Å; R10-N140 PolarHBondContact NH1-ND2 3.3Å; R10-N140 VanDerWaalsContact NH1-ND2 3.13Å; R10-N140 PolarHBondContact NH1-OD1 3.43Å
11I96.2Very high79.5Confident60 Ų6085.6 Ų85.631%0.30847%0.468SS..  trans-82.8-49.3174.7-61-55.9000110.4S15 N74 Q84 N89 K127I11-S15 PolarHBondContact N-OG 3.05Å; I11-N74 HydrophobicContact CG2-CB 4.41Å; I11-N74 WeakPolarHBondContact O-CA 3.19Å; I11-N74 VanDerWaalsContact O-CB 3.27Å; I11-N74 WeakPolarHBondContact O-CB 3.43Å; I11-N74 PolarHBondContact O-OD1 2.84Å; I11-Q84 HydrophobicContact CD1-CB 4.44Å; I11-Q84 HydrophobicContact CD1-CG 4.23Å; I11-N89 HydrophobicContact CD1-CB 3.99Å; I11-K127 PolarHBondContact O-NZ 3.45Å
12N97.1Very high82.4Confident30 Ų3074.6 Ų74.616%0.1641%0.413CS..SBendtrans-156.4-168.5-178.16315.8000109.4W14 S15 V71 S72N12-W14 PolarHBondContact O-N 3.28Å; N12-W14 WeakPolarHBondContact OD1-CB 3.45Å; N12-W14 PolarHBondContact OD1-N 3.38Å; N12-S15 PolarHBondContact N-OG 3.31Å; N12-S15 WeakPolarHBondContact O-CB 3.4Å; N12-S15 PolarHBondContact O-N 3.17Å; N12-S15 PolarHBondContact O-OG 3.05Å; N12-V71 VanDerWaalsContact CB-O 3.32Å; N12-V71 WeakPolarHBondContact CB-O 3.32Å; N12-S72 WeakPolarHBondContact CB-O 3.37Å; N12-S72 PolarHBondContact ND2-O 2.63Å
13G97.3Very high85.3Confident0 Ų072.1 Ų72.10%040%0.396CS..THydrogen-bonded Turntrans-69.1-12.1-178.300000115.3Q22 V71 L139 N140G13-Q22 PolarHBondContact O-NE2 3.29Å; G13-Q22 PolarHBondContact O-OE1 2.81Å; G13-V71 PolarHBondContact N-O 3.31Å; G13-L139 WeakPolarHBondContact CA-O 3.37Å; G13-N140 WeakPolarHBondContact CA-O 3.47Å; G13-N140 PolarHBondContact O-ND2 3.43Å; G13-N140 VanDerWaalsContact O-ND2 3.07Å
14W97.1Very high88.1Confident107 Ų10769.4 Ų69.441%0.40538%0.381SS..THydrogen-bonded Turntrans-86.5-6.3174.3-55.8111.8000113.4N12 L16 W26 V71 S72N12-W14 PolarHBondContact O-N 3.28Å; N12-W14 WeakPolarHBondContact OD1-CB 3.45Å; N12-W14 PolarHBondContact OD1-N 3.38Å; W14-L16 PolarHBondContact O-N 2.82Å; W14-W26 HydrophobicContact CE3-CH2 4.44Å; W14-W26 HydrophobicContact CH2-CH2 4.42Å; W14-W26 AromaticContact CH2-CZ2 3.94Å; W14-W26 HydrophobicContact CH2-CZ2 3.94Å; W14-W26 AromaticContact CZ3-CH2 3.65Å; W14-W26 HydrophobicContact CZ3-CH2 3.65Å; W14-W26 AromaticContact CZ3-CZ2 3.57Å; W14-W26 HydrophobicContact CZ3-CZ2 3.57Å; W14-V71 HydrophobicContact CD2-CG1 3.69Å; W14-V71 HydrophobicContact CE3-CG1 4.3Å; W14-V71 HydrophobicContact CG-CG1 4.01Å; W14-V71 HydrophobicContact CH2-CG1 4.37Å; W14-V71 HydrophobicContact CZ2-CB 4.28Å; W14-V71 HydrophobicContact CZ2-CG1 3.77Å; W14-S72 PolarHBondContact NE1-OG 2.98Å
15S95.3Very high90.5Very high23 Ų2363 Ų6316%0.16135%0.348CS..SBendtrans-64.3135.7178.3-60.10000110.9R10 I11 N12 N140R10-S15 PolarHBondContact NH1-O 3.1Å; I11-S15 PolarHBondContact N-OG 3.05Å; N12-S15 PolarHBondContact N-OG 3.31Å; N12-S15 WeakPolarHBondContact O-CB 3.4Å; N12-S15 PolarHBondContact O-N 3.17Å; N12-S15 PolarHBondContact O-OG 3.05Å; S15-N140 PolarHBondContact O-ND2 3.43Å
16L93.6Very high93Very high144 Ų14461.5 Ų61.575%0.75433%0.329SS*.SBendtrans-74.8151.3177.9-67177.7000111.8R10 W14 I18R10-L16 PolarHBondContact NH2-O 3.41Å; W14-L16 PolarHBondContact O-N 2.82Å; L16-I18 HydrophobicContact CD2-CD1 4.49Å; L16-I18 HydrophobicContact CD2-CG1 4Å
17P94.1Very high95Very high98 Ų9861.1 Ų61.164%0.63633%0.327SS*.SBendcis-71.8149.7-8.229.4-35.8000112.7R10 N140R10-P17 PolarHBondContact NH2-O 3.32Å; P17-N140 PolarHBondContact O-ND2 3.37Å
18I94.8Very high95.7Very high60 Ų6059.2 Ų59.231%0.30832%0.315SS..PPolyproline II helixtrans-68.8135.7170.4-65.1178.7000108.5L16 Q22 C23 W26L16-I18 HydrophobicContact CD2-CD1 4.49Å; L16-I18 HydrophobicContact CD2-CG1 4Å; I18-Q22 HydrophobicContact CG2-CB 4.15Å; I18-Q22 HydrophobicContact CG2-CG 4.42Å; I18-C23 VanDerWaalsContact CG2-SG 3.52Å; I18-W26 HydrophobicContact CD1-CH2 4.34Å
19H96.2Very high96.1Very high53 Ų5357.3 Ų57.325%0.24530%0.301CS..PPolyproline II helixtrans-75.5135.3178.3-168.8-80000109.9L21 Q22 N140H19-L21 WeakPolarHBondContact ND1-CB 3.27Å; H19-L21 PolarHBondContact ND1-N 2.91Å; H19-L21 VanDerWaalsContact ND1-N 3.2Å; H19-L21 PolarHBondContact O-N 3.18Å; H19-L21 VanDerWaalsContact O-N 3.11Å; H19-Q22 WeakPolarHBondContact O-CA 3.43Å; H19-Q22 VanDerWaalsContact O-CB 3.26Å; H19-Q22 WeakPolarHBondContact O-CB 3.49Å; H19-Q22 PolarHBondContact O-N 3.25Å; H19-N140 HydrophobicContact CB-CB 4.14Å
20P97.5Very high96.2Very high98 Ų9859.3 Ų59.364%0.63632%0.318SS*.Hα-helixtrans-54.5-35.6-177.7-2935000114.6Q22 C23 L24P20-Q22 VanDerWaalsContact C-N 3.27Å; P20-Q22 PolarHBondContact O-N 2.96Å; P20-C23 PolarHBondContact O-N 3.17Å; P20-L24 PolarHBondContact O-N 3.26Å
21L97.2Very high96.3Very high50 Ų5060.4 Ų60.426%0.26233%0.325SS..Hα-helixtrans-62.7-29.3174.6-64.7177.6000113.6H19 L24 S25 K137 W138H19-L21 WeakPolarHBondContact ND1-CB 3.27Å; H19-L21 PolarHBondContact ND1-N 2.91Å; H19-L21 VanDerWaalsContact ND1-N 3.2Å; H19-L21 PolarHBondContact O-N 3.18Å; H19-L21 VanDerWaalsContact O-N 3.11Å; L21-L24 HydrophobicContact CD2-CD2 4.11Å; L21-L24 PolarHBondContact O-N 2.83Å; L21-S25 PolarHBondContact O-N 3.06Å; L21-K137 HydrophobicContact CD1-CB 3.84Å; L21-K137 HydrophobicContact CD1-CD 4.17Å; L21-W138 HydrophobicContact CB-CD2 4.05Å; L21-W138 HydrophobicContact CB-CE3 3.85Å; L21-W138 HydrophobicContact CB-CZ3 4.2Å; L21-W138 HydrophobicContact CD2-CH2 3.89Å; L21-W138 HydrophobicContact CD2-CZ2 4.17Å; L21-W138 HydrophobicContact CD2-CZ3 4.07Å
22Q97.6Very high96.3Very high0 Ų059.1 Ų59.10%032%0.317CS..Hα-helixtrans-67-46.7173.7-172.7177.917.300110.5G13 I18 H19 P20 L24 S25 W26 W138 N140G13-Q22 PolarHBondContact O-NE2 3.29Å; G13-Q22 PolarHBondContact O-OE1 2.81Å; I18-Q22 HydrophobicContact CG2-CB 4.15Å; I18-Q22 HydrophobicContact CG2-CG 4.42Å; H19-Q22 WeakPolarHBondContact O-CA 3.43Å; H19-Q22 VanDerWaalsContact O-CB 3.26Å; H19-Q22 WeakPolarHBondContact O-CB 3.49Å; H19-Q22 PolarHBondContact O-N 3.25Å; P20-Q22 VanDerWaalsContact C-N 3.27Å; P20-Q22 PolarHBondContact O-N 2.96Å; Q22-L24 VanDerWaalsContact C-N 3.32Å; Q22-L24 PolarHBondContact O-N 2.9Å; Q22-S25 WeakPolarHBondContact O-CB 3.37Å; Q22-S25 PolarHBondContact O-N 3.35Å; Q22-S25 VanDerWaalsContact O-N 3.17Å; Q22-S25 PolarHBondContact O-OG 2.97Å; Q22-W26 HydrophobicContact CG-CH2 4.18Å; Q22-W26 HydrophobicContact CG-CZ2 3.62Å; Q22-W26 PolarHBondContact O-N 2.95Å; Q22-W138 WeakPolarHBondContact CA-O 3.3Å; Q22-W138 WeakPolarHBondContact CB-O 3.48Å; Q22-N140 HydrophobicContact CB-CB 4.41Å; Q22-N140 PolarHBondContact OE1-ND2 2.56Å
23C97.3Very high96.3Very high58 Ų5858.7 Ų58.739%0.39232%0.316SS..Hα-helixtrans-60.1-42.5174-59.40000111.9I18 P20 S25 W26 F27I18-C23 VanDerWaalsContact CG2-SG 3.52Å; P20-C23 PolarHBondContact O-N 3.17Å; C23-S25 VanDerWaalsContact C-N 3.28Å; C23-S25 PolarHBondContact O-N 3Å; C23-W26 PolarHBondContact O-N 3.5Å; C23-F27 PolarHBondContact O-N 3.3Å
24L96.8Very high96.3Very high86 Ų8663.3 Ų63.345%0.4534%0.34SS..Hα-helixtrans-60.6-38.3177-176.960.9000111.7P20 L21 Q22 W26 F27 A28 W138P20-L24 PolarHBondContact O-N 3.26Å; L21-L24 HydrophobicContact CD2-CD2 4.11Å; L21-L24 PolarHBondContact O-N 2.83Å; Q22-L24 VanDerWaalsContact C-N 3.32Å; Q22-L24 PolarHBondContact O-N 2.9Å; L24-W26 VanDerWaalsContact C-N 3.34Å; L24-W26 PolarHBondContact O-N 3.47Å; L24-F27 PolarHBondContact O-N 3.16Å; L24-A28 VanDerWaalsContact O-CB 3.3Å; L24-A28 WeakPolarHBondContact O-CB 3.5Å; L24-A28 PolarHBondContact O-N 3.28Å; L24-W138 HydrophobicContact CB-CZ3 4.41Å; L24-W138 HydrophobicContact CD2-CH2 4.17Å; L24-W138 HydrophobicContact CD2-CZ3 4.08Å; L24-W138 HydrophobicContact CG-CZ3 4.28Å
25S95.3Very high96.2Very high13 Ų1360.4 Ų60.49%0.09133%0.332CS..Hα-helixtrans-62.7-40176.578.40000112.6L21 Q22 C23 T29L21-S25 PolarHBondContact O-N 3.06Å; Q22-S25 WeakPolarHBondContact O-CB 3.37Å; Q22-S25 PolarHBondContact O-N 3.35Å; Q22-S25 VanDerWaalsContact O-N 3.17Å; Q22-S25 PolarHBondContact O-OG 2.97Å; C23-S25 VanDerWaalsContact C-N 3.28Å; C23-S25 PolarHBondContact O-N 3Å; S25-T29 WeakPolarHBondContact O-CB 3.41Å; S25-T29 PolarHBondContact O-N 3.12Å; S25-T29 PolarHBondContact O-OG1 3.47Å
26W97Very high96.3Very high92 Ų9259.4 Ų59.435%0.34833%0.325SS..Hα-helixtrans-68.9-44.9178.1-58.2-23.6000111.3W14 I18 Q22 C23 L24 A28 T29 A30W14-W26 HydrophobicContact CE3-CH2 4.44Å; W14-W26 HydrophobicContact CH2-CH2 4.42Å; W14-W26 AromaticContact CH2-CZ2 3.94Å; W14-W26 HydrophobicContact CH2-CZ2 3.94Å; W14-W26 AromaticContact CZ3-CH2 3.65Å; W14-W26 HydrophobicContact CZ3-CH2 3.65Å; W14-W26 AromaticContact CZ3-CZ2 3.57Å; W14-W26 HydrophobicContact CZ3-CZ2 3.57Å; I18-W26 HydrophobicContact CD1-CH2 4.34Å; Q22-W26 HydrophobicContact CG-CH2 4.18Å; Q22-W26 HydrophobicContact CG-CZ2 3.62Å; Q22-W26 PolarHBondContact O-N 2.95Å; C23-W26 PolarHBondContact O-N 3.5Å; L24-W26 VanDerWaalsContact C-N 3.34Å; L24-W26 PolarHBondContact O-N 3.47Å; W26-A28 PolarHBondContact O-N 3.37Å; W26-T29 PolarHBondContact O-N 3.38Å; W26-A30 WeakPolarHBondContact O-CB 3.39Å; W26-A30 PolarHBondContact O-N 2.99Å
27F97.3Very high96.5Very high137 Ų13755 Ų5560%0.60130%0.299SS*.Hα-helixtrans-58.3-48.5174.9176-96.7000111.3C23 L24 T29 A30 M31C23-F27 PolarHBondContact O-N 3.3Å; L24-F27 PolarHBondContact O-N 3.16Å; F27-T29 PolarHBondContact O-N 3.39Å; F27-A30 PolarHBondContact O-N 3.39Å; F27-M31 HydrophobicContact CE1-SD 4.32Å; F27-M31 WeakPolarHBondContact O-CB 3.41Å; F27-M31 PolarHBondContact O-N 2.84Å
28A95.1Very high96.5Very high26 Ų2651.3 Ų51.322%0.21528%0.279CS..Hα-helixtrans-59.9-46.8177.800000111.5L24 W26 A30 M31 F32L24-A28 VanDerWaalsContact O-CB 3.3Å; L24-A28 WeakPolarHBondContact O-CB 3.5Å; L24-A28 PolarHBondContact O-N 3.28Å; W26-A28 PolarHBondContact O-N 3.37Å; A28-A30 VanDerWaalsContact C-N 3.34Å; A28-A30 PolarHBondContact O-N 2.77Å; A28-M31 PolarHBondContact O-N 2.69Å; A28-F32 HydrophobicContact CB-CD2 4.35Å; A28-F32 HydrophobicContact CB-CE2 4.2Å; A28-F32 WeakPolarHBondContact O-CD2 3.37Å; A28-F32 PolarHBondContact O-N 3.33Å
29T96.3Very high96.6Very high29 Ų2948.7 Ų48.718%0.17827%0.266CS..Hα-helixtrans-57-47.5177.6-550000111.2S25 W26 F27 S33 Y63S25-T29 WeakPolarHBondContact O-CB 3.41Å; S25-T29 PolarHBondContact O-N 3.12Å; S25-T29 PolarHBondContact O-OG1 3.47Å; W26-T29 PolarHBondContact O-N 3.38Å; F27-T29 PolarHBondContact O-N 3.39Å; T29-S33 WeakPolarHBondContact O-CB 3.49Å; T29-S33 PolarHBondContact O-N 3.17Å; T29-S33 PolarHBondContact O-OG 3.26Å; T29-Y63 HydrophobicContact CG2-CD1 4.08Å; T29-Y63 HydrophobicContact CG2-CE1 3.61Å; T29-Y63 WeakPolarHBondContact OG1-CE1 3.48Å; T29-Y63 PolarHBondContact OG1-OH 3.35Å
30A97.3Very high96.6Very high47 Ų4746.4 Ų46.439%0.38826%0.256SS..Hα-helixtrans-64.1-47.2178.800000111.7W26 F27 A28 F32 S33 I34W26-A30 WeakPolarHBondContact O-CB 3.39Å; W26-A30 PolarHBondContact O-N 2.99Å; F27-A30 PolarHBondContact O-N 3.39Å; A28-A30 VanDerWaalsContact C-N 3.34Å; A28-A30 PolarHBondContact O-N 2.77Å; A30-F32 PolarHBondContact O-N 3.02Å; A30-S33 PolarHBondContact O-N 2.72Å; A30-I34 WeakPolarHBondContact O-CB 3.42Å; A30-I34 VanDerWaalsContact O-CG1 3.25Å; A30-I34 WeakPolarHBondContact O-CG1 3.49Å; A30-I34 PolarHBondContact O-N 2.74Å
31M96Very high96.6Very high58 Ų5842 Ų4229%0.28623%0.227SC..Hα-helixtrans-58.4-49.3179.6-172.3-15873.300111.6F27 A28 S33 I34 I35 F236F27-M31 HydrophobicContact CE1-SD 4.32Å; F27-M31 WeakPolarHBondContact O-CB 3.41Å; F27-M31 PolarHBondContact O-N 2.84Å; A28-M31 PolarHBondContact O-N 2.69Å; M31-S33 PolarHBondContact O-N 3.05Å; M31-I34 PolarHBondContact O-N 3.3Å; M31-I35 HydrophobicContact CE-CD1 4.24Å; M31-I35 HydrophobicContact CG-CD1 4.08Å; M31-I35 WeakPolarHBondContact O-CG1 3.47Å; M31-I35 PolarHBondContact O-N 3.07Å; M31-F236 HydrophobicContact CE-CD1 4.23Å; M31-F236 HydrophobicContact CE-CE1 3.85Å
32F96.3Very high96.6Very high32 Ų3242.1 Ų42.114%0.1423%0.231CC..Hα-helixtrans-65-38.5178.4-72.4-57.6000112.8A28 A30 I35 Y36 L162 F236 T237 I240A28-F32 HydrophobicContact CB-CD2 4.35Å; A28-F32 HydrophobicContact CB-CE2 4.2Å; A28-F32 WeakPolarHBondContact O-CD2 3.37Å; A28-F32 PolarHBondContact O-N 3.33Å; A30-F32 PolarHBondContact O-N 3.02Å; F32-I35 PolarHBondContact O-N 2.69Å; F32-Y36 WeakPolarHBondContact O-CB 3.47Å; F32-Y36 PolarHBondContact O-N 3.46Å; F32-L162 HydrophobicContact CD2-CD2 4.49Å; F32-L162 HydrophobicContact CG-CD2 4.48Å; F32-F236 AromaticContact CE1-CD1 3.43Å; F32-F236 HydrophobicContact CE1-CD1 3.43Å; F32-F236 VanDerWaalsContact CE1-CD1 3.43Å; F32-F236 AromaticContact CE1-CE1 3.75Å; F32-F236 HydrophobicContact CE1-CE1 3.75Å; F32-F236 HydrophobicContact CE2-CE1 4.07Å; F32-F236 AromaticContact CZ-CD1 3.29Å; F32-F236 HydrophobicContact CZ-CD1 3.29Å; F32-F236 AromaticContact CZ-CE1 3.16Å; F32-F236 HydrophobicContact CZ-CE1 3.16Å; F32-F236 HydrophobicContact CZ-CG 4.36Å; F32-F236 HydrophobicContact CZ-CZ 4.18Å; F32-T237 HydrophobicContact CD1-CG2 3.86Å; F32-T237 HydrophobicContact CE1-CG2 3.66Å; F32-I240 HydrophobicContact CE2-CD1 3.63Å; F32-I240 HydrophobicContact CZ-CD1 3.46Å; F32-I240 VanDerWaalsContact CZ-CD1 3.46Å
33S97.1Very high96.5Very high21 Ų2142.7 Ų42.715%0.14724%0.235CC..Hα-helixtrans-63-45176-57.70000111.2T29 A30 M31 I35 Y36 F37T29-S33 WeakPolarHBondContact O-CB 3.49Å; T29-S33 PolarHBondContact O-N 3.17Å; T29-S33 PolarHBondContact O-OG 3.26Å; A30-S33 PolarHBondContact O-N 2.72Å; M31-S33 PolarHBondContact O-N 3.05Å; S33-I35 PolarHBondContact O-N 3.31Å; S33-Y36 PolarHBondContact O-N 3.2Å; S33-F37 WeakPolarHBondContact O-CB 3.4Å; S33-F37 WeakPolarHBondContact O-CD2 3.27Å; S33-F37 PolarHBondContact O-N 3.09Å
34I96.4Very high96.5Very high97 Ų9740.4 Ų40.450%0.49722%0.219SC..Hα-helixtrans-62.2-44.1178.4-70.5165.8000110.8A30 M31 G38 F217A30-I34 WeakPolarHBondContact O-CB 3.42Å; A30-I34 VanDerWaalsContact O-CG1 3.25Å; A30-I34 WeakPolarHBondContact O-CG1 3.49Å; A30-I34 PolarHBondContact O-N 2.74Å; M31-I34 PolarHBondContact O-N 3.3Å; I34-G38 VanDerWaalsContact O-CA 3.26Å; I34-G38 WeakPolarHBondContact O-CA 3.42Å; I34-G38 PolarHBondContact O-N 2.96Å; I34-F217 HydrophobicContact CG2-CE1 3.52Å; I34-F217 HydrophobicContact CG2-CZ 3.62Å
35I95.4Very high96.5Very high46 Ų4636.5 Ų36.524%0.23620%0.199CC..Hα-helixtrans-64.4-46.4177.2-68166.5000110.7M31 F32 S33 I39 L40M31-I35 HydrophobicContact CE-CD1 4.24Å; M31-I35 HydrophobicContact CG-CD1 4.08Å; M31-I35 WeakPolarHBondContact O-CG1 3.47Å; M31-I35 PolarHBondContact O-N 3.07Å; F32-I35 PolarHBondContact O-N 2.69Å; S33-I35 PolarHBondContact O-N 3.31Å; I35-I39 WeakPolarHBondContact O-CA 3.06Å; I35-I39 WeakPolarHBondContact O-CB 3.42Å; I35-I39 PolarHBondContact O-N 2.85Å; I35-L40 HydrophobicContact CG2-CG 4.43Å; I35-L40 PolarHBondContact O-N 3.22Å; I35-L40 VanDerWaalsContact O-N 3.14Å
36Y97.7Very high96.6Very high2 Ų239.6 Ų39.61%0.00822%0.217CC..Iπ-helixtrans-62.2-53.3-178.6-175.3-89.7000111.9F32 S33 L40 V41 L52 N56 I164 S165 L168F32-Y36 WeakPolarHBondContact O-CB 3.47Å; F32-Y36 PolarHBondContact O-N 3.46Å; S33-Y36 PolarHBondContact O-N 3.2Å; Y36-L40 HydrophobicContact CD2-CD1 4Å; Y36-L40 PolarHBondContact O-N 2.96Å; Y36-V41 HydrophobicContact CD1-CG2 3.75Å; Y36-V41 HydrophobicContact CE1-CG2 3.27Å; Y36-V41 PolarHBondContact O-N 3.03Å; Y36-L52 PolarHBondContact OH-O 3.23Å; Y36-L52 VanDerWaalsContact OH-O 3.13Å; Y36-N56 HydrophobicContact CD1-CB 4.18Å; Y36-N56 WeakPolarHBondContact CD1-ND2 3.4Å; Y36-N56 WeakPolarHBondContact CD2-ND2 3.35Å; Y36-N56 HydrophobicContact CE1-CB 3.41Å; Y36-N56 VanDerWaalsContact CE1-CB 3.41Å; Y36-N56 WeakPolarHBondContact CE1-ND2 3.28Å; Y36-N56 HydrophobicContact CE2-CB 4.42Å; Y36-N56 WeakPolarHBondContact CE2-ND2 3.2Å; Y36-N56 VanDerWaalsContact CG-ND2 3.26Å; Y36-N56 VanDerWaalsContact CZ-ND2 3.29Å; Y36-I164 HydrophobicContact CE2-CG2 4.03Å; Y36-I164 WeakPolarHBondContact OH-CG2 3.38Å; Y36-S165 VanDerWaalsContact CD2-OG 3.23Å; Y36-S165 WeakPolarHBondContact CD2-OG 3.35Å; Y36-L168 HydrophobicContact CD2-CD2 4.41Å; Y36-L168 HydrophobicContact CE2-CD2 3.68Å
37F97.4Very high96.5Very high51 Ų5145.6 Ų45.622%0.22424%0.24CC..Iπ-helixtrans-80-26.5-176.1-63.8-61.1000113.7S33 P42 F53 A57 I60S33-F37 WeakPolarHBondContact O-CB 3.4Å; S33-F37 WeakPolarHBondContact O-CD2 3.27Å; S33-F37 PolarHBondContact O-N 3.09Å; F37-P42 WeakPolarHBondContact O-CD 3.11Å; F37-P42 VanDerWaalsContact O-CG 3.32Å; F37-P42 WeakPolarHBondContact O-CG 3.29Å; F37-F53 HydrophobicContact CB-CE2 4.4Å; F37-F53 AromaticContact CD1-CD2 3.42Å; F37-F53 HydrophobicContact CD1-CD2 3.42Å; F37-F53 VanDerWaalsContact CD1-CD2 3.42Å; F37-F53 AromaticContact CD1-CE2 3.45Å; F37-F53 HydrophobicContact CD1-CE2 3.45Å; F37-F53 VanDerWaalsContact CD1-CE2 3.45Å; F37-F53 HydrophobicContact CD1-CG 4.17Å; F37-F53 HydrophobicContact CD1-CZ 4.23Å; F37-F53 AromaticContact CE1-CD2 3.83Å; F37-F53 HydrophobicContact CE1-CD2 3.83Å; F37-F53 AromaticContact CE1-CE2 3.96Å; F37-F53 HydrophobicContact CE1-CE2 3.96Å; F37-F53 HydrophobicContact CE1-CG 4.12Å; F37-F53 HydrophobicContact CE1-CZ 4.37Å; F37-F53 HydrophobicContact CG-CD2 4.43Å; F37-F53 HydrophobicContact CG-CE2 4.11Å; F37-A57 HydrophobicContact CE1-CB 4.3Å; F37-A57 HydrophobicContact CZ-CB 4.02Å; F37-I60 HydrophobicContact CE2-CD1 3.61Å; F37-I60 HydrophobicContact CZ-CD1 3.87Å
38G95.5Very high96.5Very high21 Ų2140.4 Ų40.422%0.21622%0.222CC..Iπ-helixtrans-94.8-20.9-177.100000115I34I34-G38 VanDerWaalsContact O-CA 3.26Å; I34-G38 WeakPolarHBondContact O-CA 3.42Å; I34-G38 PolarHBondContact O-N 2.96Å
39I95.8Very high96.6Very high5 Ų542.7 Ų42.73%0.02623%0.225CC..Iπ-helixtrans-124.5-59.3-178.8-54178.3000111I35 P42 S43 I216 F217 F226 I229I35-I39 WeakPolarHBondContact O-CA 3.06Å; I35-I39 WeakPolarHBondContact O-CB 3.42Å; I35-I39 PolarHBondContact O-N 2.85Å; I39-P42 WeakPolarHBondContact O-CD 3.37Å; I39-S43 WeakPolarHBondContact O-CB 3.4Å; I39-S43 PolarHBondContact O-N 3.44Å; I39-S43 VanDerWaalsContact O-N 3.14Å; I39-S43 PolarHBondContact O-OG 3.28Å; I39-I216 HydrophobicContact CD1-CG2 3.86Å; I39-I216 HydrophobicContact CG1-CG2 4.19Å; I39-F217 HydrophobicContact CD1-CD2 4.42Å; I39-F217 HydrophobicContact CD1-CE2 3.7Å; I39-F217 HydrophobicContact CD1-CZ 3.77Å; I39-F217 HydrophobicContact CG1-CD2 4.46Å; I39-F217 HydrophobicContact CG1-CE1 4.11Å; I39-F217 HydrophobicContact CG1-CE2 4.01Å; I39-F217 HydrophobicContact CG1-CZ 3.8Å; I39-F226 HydrophobicContact CG2-CE2 4.34Å; I39-I229 HydrophobicContact CD1-CG2 4.08Å
40L97.5Very high96.6Very high6 Ų647.3 Ų47.33%0.03125%0.248CC..Iπ-helixtrans-66.8-52-169.1-56.4-178.3000112.4I35 Y36 S43 L168 S169 L172 V230I35-L40 HydrophobicContact CG2-CG 4.43Å; I35-L40 PolarHBondContact O-N 3.22Å; I35-L40 VanDerWaalsContact O-N 3.14Å; Y36-L40 HydrophobicContact CD2-CD1 4Å; Y36-L40 PolarHBondContact O-N 2.96Å; L40-S43 WeakPolarHBondContact O-CB 3.25Å; L40-S43 PolarHBondContact O-N 2.99Å; L40-L168 HydrophobicContact CB-CD2 3.74Å; L40-L168 HydrophobicContact CB-CG 4.26Å; L40-S169 VanDerWaalsContact CD1-OG 3.23Å; L40-S169 WeakPolarHBondContact CD1-OG 3.33Å; L40-L172 HydrophobicContact CB-CD1 4.27Å; L40-L172 HydrophobicContact CD2-CD1 4.03Å; L40-V230 HydrophobicContact CD2-CG2 4.28Å
41V97.7Very high96.6Very high6 Ų648 Ų484%0.03625%0.248CC..Hα-helixtrans-63.8-46.7179.9173.60000112Y36 S43 V44 R49 L52 F53 L168Y36-V41 HydrophobicContact CD1-CG2 3.75Å; Y36-V41 HydrophobicContact CE1-CG2 3.27Å; Y36-V41 PolarHBondContact O-N 3.03Å; V41-S43 PolarHBondContact O-N 3.14Å; V41-V44 WeakPolarHBondContact O-CG2 3.37Å; V41-V44 PolarHBondContact O-N 2.94Å; V41-R49 HydrophobicContact CG1-CB 4.07Å; V41-R49 HydrophobicContact CG1-CG 4.29Å; V41-R49 WeakPolarHBondContact O-CG 3.24Å; V41-L52 HydrophobicContact CG2-CB 4.28Å; V41-F53 HydrophobicContact CG1-CB 4.31Å; V41-L168 HydrophobicContact CG2-CD2 4.38Å
42P96.3Very high96.7Very high52 Ų5247.3 Ų47.334%0.33825%0.245SC..Hα-helixtrans-61.1-24.5175.6-27.437.2000114.3F37 I39 V44 R49F37-P42 WeakPolarHBondContact O-CD 3.11Å; F37-P42 VanDerWaalsContact O-CG 3.32Å; F37-P42 WeakPolarHBondContact O-CG 3.29Å; I39-P42 WeakPolarHBondContact O-CD 3.37Å; P42-V44 VanDerWaalsContact C-N 3.34Å; P42-R49 PolarHBondContact O-NH2 3.47Å
43S96.4Very high96.8Very high11 Ų1150.7 Ų50.78%0.07726%0.26CS..Hα-helixtrans-76-19.3-179.3-61.30000113.8I39 L40 V41 Q187 F226I39-S43 WeakPolarHBondContact O-CB 3.4Å; I39-S43 PolarHBondContact O-N 3.44Å; I39-S43 VanDerWaalsContact O-N 3.14Å; I39-S43 PolarHBondContact O-OG 3.28Å; L40-S43 WeakPolarHBondContact O-CB 3.25Å; L40-S43 PolarHBondContact O-N 2.99Å; V41-S43 PolarHBondContact O-N 3.14Å; S43-Q187 PolarHBondContact O-N 2.95Å; S43-F226 WeakPolarHBondContact OG-CE2 3.35Å
44V97.2Very high96.9Very high10 Ų1052.9 Ų52.96%0.06127%0.273CS..BIsolated β-bridgetrans-84.2155.6173.8-61.10000112.2V41 P42 A48 R49 L52 L168 L172 W185 Q187V41-V44 WeakPolarHBondContact O-CG2 3.37Å; V41-V44 PolarHBondContact O-N 2.94Å; P42-V44 VanDerWaalsContact C-N 3.34Å; V44-A48 HydrophobicContact CG2-CB 4.22Å; V44-R49 HydrophobicContact CG2-CG 3.85Å; V44-R49 PolarHBondContact O-NE 3.42Å; V44-L52 HydrophobicContact CG1-CD1 4.25Å; V44-L52 HydrophobicContact CG2-CD1 3.78Å; V44-L168 HydrophobicContact CG1-CD1 3.65Å; V44-L172 HydrophobicContact CG1-CD2 3.88Å; V44-L172 HydrophobicContact CG1-CG 4.42Å; V44-W185 WeakPolarHBondContact CA-O 3.21Å; V44-Q187 PolarHBondContact O-OE1 3.33Å
45V96.7Very high97Very high4 Ų452.7 Ų52.72%0.02427%0.271CS..  trans-51141172.5-73.90000112.8R47 A48 Y184 W185 Q187 H190V45-R47 HydrophobicContact CB-CG 4.15Å; V45-R47 HydrophobicContact CG2-CG 3.72Å; V45-R47 PolarHBondContact O-N 3.34Å; V45-R47 VanDerWaalsContact O-N 3.07Å; V45-A48 HydrophobicContact CG2-CB 4.31Å; V45-A48 PolarHBondContact O-N 2.81Å; V45-Y184 VanDerWaalsContact CG1-O 3.31Å; V45-Y184 WeakPolarHBondContact CG1-O 3.3Å; V45-Y184 WeakPolarHBondContact CG2-O 3.36Å; V45-W185 PolarHBondContact N-O 2.85Å; V45-Q187 VanDerWaalsContact CA-OE1 3.3Å; V45-H190 HydrophobicContact CG1-CB 3.82Å
46T96.2Very high97.1Very high78 Ų7850.5 Ų50.548%0.47926%0.26SS..Hα-helixtrans-53.6-37.5-169.6-64.80000113.7A48 R49 Q187T46-A48 VanDerWaalsContact C-N 3.26Å; T46-A48 PolarHBondContact O-N 3.2Å; T46-R49 WeakPolarHBondContact O-CB 3.29Å; T46-R49 PolarHBondContact O-N 3.3Å; T46-R49 PolarHBondContact OG1-NH1 2.97Å; T46-R49 VanDerWaalsContact OG1-NH1 3.12Å; T46-Q187 PolarHBondContact OG1-OE1 3.49Å
47R95.4Very high97.1Very high219 Ų21952 Ų5283%0.82627%0.274SS*.Hα-helixtrans-56.6-31.9175.252-179.3-83.3159.4-6114.6V45V45-R47 HydrophobicContact CB-CG 4.15Å; V45-R47 HydrophobicContact CG2-CG 3.72Å; V45-R47 PolarHBondContact O-N 3.34Å; V45-R47 VanDerWaalsContact O-N 3.07Å
48A96.7Very high97.2Very high28 Ų2855 Ų5523%0.23129%0.29CS..Hα-helixtrans-92.9-12.1-179.200000113.4V44 V45 T46 P51 L52V44-A48 HydrophobicContact CG2-CB 4.22Å; V45-A48 HydrophobicContact CG2-CB 4.31Å; V45-A48 PolarHBondContact O-N 2.81Å; T46-A48 VanDerWaalsContact C-N 3.26Å; T46-A48 PolarHBondContact O-N 3.2Å; A48-P51 WeakPolarHBondContact O-CD 3.33Å; A48-P51 WeakPolarHBondContact O-CG 3.45Å; A48-L52 HydrophobicContact CB-CD1 4.28Å; A48-L52 WeakPolarHBondContact O-CB 3.45Å; A48-L52 WeakPolarHBondContact O-CD1 3.3Å; A48-L52 WeakPolarHBondContact O-CG 3.5Å; A48-L52 PolarHBondContact O-N 2.91Å
49R97.1Very high97.3Very high73 Ų7354.3 Ų54.328%0.27528%0.282SS..Hα-helixtrans-64.7-49.9-173.2-68.1-178.3-176.4170.3-16113.1V41 P42 V44 T46 L52 F53V41-R49 HydrophobicContact CG1-CB 4.07Å; V41-R49 HydrophobicContact CG1-CG 4.29Å; V41-R49 WeakPolarHBondContact O-CG 3.24Å; P42-R49 PolarHBondContact O-NH2 3.47Å; V44-R49 HydrophobicContact CG2-CG 3.85Å; V44-R49 PolarHBondContact O-NE 3.42Å; T46-R49 WeakPolarHBondContact O-CB 3.29Å; T46-R49 PolarHBondContact O-N 3.3Å; T46-R49 PolarHBondContact OG1-NH1 2.97Å; T46-R49 VanDerWaalsContact OG1-NH1 3.12Å; R49-L52 PolarHBondContact O-N 3.06Å; R49-F53 WeakPolarHBondContact O-CB 3.14Å; R49-F53 PolarHBondContact O-N 3.4Å
50I97Very high97.5Very high127 Ų12755 Ų5565%0.65129%0.286SS*.Hα-helixtrans-58.4-52.9-176.8-61.2175.3000111.4L52 F53 V54I50-L52 PolarHBondContact O-N 3.5Å; I50-F53 PolarHBondContact O-N 2.93Å; I50-V54 HydrophobicContact CG2-CG2 4.22Å; I50-V54 WeakPolarHBondContact O-CB 3.27Å; I50-V54 VanDerWaalsContact O-CG2 3.27Å; I50-V54 WeakPolarHBondContact O-CG2 3.5Å; I50-V54 PolarHBondContact O-N 3.23Å
51P97.7Very high97.5Very high62 Ų6256.2 Ų56.240%0.40330%0.3SS..Hα-helixtrans-63-43.2179.921.5-31.7000112.8A48 F53 V54 I55A48-P51 WeakPolarHBondContact O-CD 3.33Å; A48-P51 WeakPolarHBondContact O-CG 3.45Å; P51-F53 VanDerWaalsContact C-N 3.34Å; P51-F53 PolarHBondContact O-N 2.93Å; P51-V54 PolarHBondContact O-N 3.12Å; P51-I55 WeakPolarHBondContact O-CB 3.47Å; P51-I55 WeakPolarHBondContact O-CD1 3.38Å; P51-I55 WeakPolarHBondContact O-CG1 3.27Å; P51-I55 PolarHBondContact O-N 3.32Å
52L97.9Very high97.6Very high42 Ų4257.2 Ų57.222%0.2231%0.309CS..Hα-helixtrans-61.8-43177.3-72.3169.6000111.9Y36 V41 V44 A48 R49 I50 N56 L168Y36-L52 PolarHBondContact OH-O 3.23Å; Y36-L52 VanDerWaalsContact OH-O 3.13Å; V41-L52 HydrophobicContact CG2-CB 4.28Å; V44-L52 HydrophobicContact CG1-CD1 4.25Å; V44-L52 HydrophobicContact CG2-CD1 3.78Å; A48-L52 HydrophobicContact CB-CD1 4.28Å; A48-L52 WeakPolarHBondContact O-CB 3.45Å; A48-L52 WeakPolarHBondContact O-CD1 3.3Å; A48-L52 WeakPolarHBondContact O-CG 3.5Å; A48-L52 PolarHBondContact O-N 2.91Å; R49-L52 PolarHBondContact O-N 3.06Å; I50-L52 PolarHBondContact O-N 3.5Å; L52-N56 PolarHBondContact O-N 2.92Å; L52-L168 HydrophobicContact CD1-CD1 4.04Å; L52-L168 HydrophobicContact CD1-CD2 4.32Å
53F98.3Very high97.7Very high103 Ų10356.1 Ų56.145%0.45230%0.298SS..Hα-helixtrans-59.5-54.2175.4-172.6-80.6000111.1F37 V41 R49 I50 P51 A57F37-F53 HydrophobicContact CB-CE2 4.4Å; F37-F53 AromaticContact CD1-CD2 3.42Å; F37-F53 HydrophobicContact CD1-CD2 3.42Å; F37-F53 VanDerWaalsContact CD1-CD2 3.42Å; F37-F53 AromaticContact CD1-CE2 3.45Å; F37-F53 HydrophobicContact CD1-CE2 3.45Å; F37-F53 VanDerWaalsContact CD1-CE2 3.45Å; F37-F53 HydrophobicContact CD1-CG 4.17Å; F37-F53 HydrophobicContact CD1-CZ 4.23Å; F37-F53 AromaticContact CE1-CD2 3.83Å; F37-F53 HydrophobicContact CE1-CD2 3.83Å; F37-F53 AromaticContact CE1-CE2 3.96Å; F37-F53 HydrophobicContact CE1-CE2 3.96Å; F37-F53 HydrophobicContact CE1-CG 4.12Å; F37-F53 HydrophobicContact CE1-CZ 4.37Å; F37-F53 HydrophobicContact CG-CD2 4.43Å; F37-F53 HydrophobicContact CG-CE2 4.11Å; V41-F53 HydrophobicContact CG1-CB 4.31Å; R49-F53 WeakPolarHBondContact O-CB 3.14Å; R49-F53 PolarHBondContact O-N 3.4Å; I50-F53 PolarHBondContact O-N 2.93Å; P51-F53 VanDerWaalsContact C-N 3.34Å; P51-F53 PolarHBondContact O-N 2.93Å; F53-A57 HydrophobicContact CD1-CB 4.39Å; F53-A57 HydrophobicContact CE1-CB 4.3Å; F53-A57 WeakPolarHBondContact O-CB 3.28Å; F53-A57 PolarHBondContact O-N 2.95Å
54V98.4Very high97.8Very high68 Ų6859.3 Ų59.341%0.41231%0.313SS..Hα-helixtrans-63.5-48.3-174.3170.90000111.3I50 P51 N56 A57 I58I50-V54 HydrophobicContact CG2-CG2 4.22Å; I50-V54 WeakPolarHBondContact O-CB 3.27Å; I50-V54 VanDerWaalsContact O-CG2 3.27Å; I50-V54 WeakPolarHBondContact O-CG2 3.5Å; I50-V54 PolarHBondContact O-N 3.23Å; P51-V54 PolarHBondContact O-N 3.12Å; V54-N56 PolarHBondContact O-N 2.92Å; V54-A57 PolarHBondContact O-N 3.28Å; V54-I58 HydrophobicContact CG1-CD1 3.84Å; V54-I58 VanDerWaalsContact O-CG1 3.29Å; V54-I58 WeakPolarHBondContact O-CG1 3.42Å; V54-I58 PolarHBondContact O-N 2.88Å
55I98.2Very high97.8Very high92 Ų9262.5 Ų62.547%0.47233%0.333SS..Hα-helixtrans-61.7-47.5-176.7-65.6166.1000110.3P51 I58 C59 I164P51-I55 WeakPolarHBondContact O-CB 3.47Å; P51-I55 WeakPolarHBondContact O-CD1 3.38Å; P51-I55 WeakPolarHBondContact O-CG1 3.27Å; P51-I55 PolarHBondContact O-N 3.32Å; I55-I58 PolarHBondContact O-N 3.44Å; I55-C59 PolarHBondContact O-N 2.9Å; I55-C59 PolarHBondContact O-SG 2.83Å; I55-I164 HydrophobicContact CG2-CD1 3.83Å
56N98.4Very high97.9Very high0 Ų065.3 Ų65.30%035%0.345CS..Hα-helixtrans-73.7-32.9-179.2-159.328.7000112.4Y36 L52 V54 I58 C59 I60 S161 I164Y36-N56 HydrophobicContact CD1-CB 4.18Å; Y36-N56 WeakPolarHBondContact CD1-ND2 3.4Å; Y36-N56 WeakPolarHBondContact CD2-ND2 3.35Å; Y36-N56 HydrophobicContact CE1-CB 3.41Å; Y36-N56 VanDerWaalsContact CE1-CB 3.41Å; Y36-N56 WeakPolarHBondContact CE1-ND2 3.28Å; Y36-N56 HydrophobicContact CE2-CB 4.42Å; Y36-N56 WeakPolarHBondContact CE2-ND2 3.2Å; Y36-N56 VanDerWaalsContact CG-ND2 3.26Å; Y36-N56 VanDerWaalsContact CZ-ND2 3.29Å; L52-N56 PolarHBondContact O-N 2.92Å; V54-N56 PolarHBondContact O-N 2.92Å; N56-I58 VanDerWaalsContact C-N 3.31Å; N56-I58 PolarHBondContact O-N 2.96Å; N56-C59 PolarHBondContact O-N 3.27Å; N56-I60 WeakPolarHBondContact O-CG1 3.02Å; N56-I60 PolarHBondContact O-N 2.84Å; N56-S161 VanDerWaalsContact OD1-CA 3.3Å; N56-S161 WeakPolarHBondContact OD1-CA 3.45Å; N56-S161 VanDerWaalsContact OD1-CB 3.3Å; N56-S161 WeakPolarHBondContact OD1-CB 3.5Å; N56-S161 PolarHBondContact OD1-OG 3.18Å; N56-I164 HydrophobicContact CB-CG2 4.38Å
57A98.4Very high98Very high35 Ų3562.1 Ų62.129%0.28933%0.325SS..Hα-helixtrans-61.7-38.2173.600000112F37 F53 V54 G61F37-A57 HydrophobicContact CE1-CB 4.3Å; F37-A57 HydrophobicContact CZ-CB 4.02Å; F53-A57 HydrophobicContact CD1-CB 4.39Å; F53-A57 HydrophobicContact CE1-CB 4.3Å; F53-A57 WeakPolarHBondContact O-CB 3.28Å; F53-A57 PolarHBondContact O-N 2.95Å; V54-A57 PolarHBondContact O-N 3.28Å; A57-G61 PolarHBondContact O-N 2.82Å
58I98.6Very high98.2Very high113 Ų11355.9 Ų55.958%0.57931%0.307SS*.Hα-helixtrans-63.3-46.3173.1-68.8165.1000110.6V54 I55 N56 G61 A62V54-I58 HydrophobicContact CG1-CD1 3.84Å; V54-I58 VanDerWaalsContact O-CG1 3.29Å; V54-I58 WeakPolarHBondContact O-CG1 3.42Å; V54-I58 PolarHBondContact O-N 2.88Å; I55-I58 PolarHBondContact O-N 3.44Å; N56-I58 VanDerWaalsContact C-N 3.31Å; N56-I58 PolarHBondContact O-N 2.96Å; I58-G61 PolarHBondContact O-N 2.78Å; I58-A62 VanDerWaalsContact O-CB 3.32Å; I58-A62 WeakPolarHBondContact O-CB 3.47Å; I58-A62 PolarHBondContact O-N 3.08Å
59C98.6Very high98.3Very high7 Ų757.1 Ų57.15%0.04731%0.309CS..Hα-helixtrans-60.5-48.1179-62.10000111.7I55 N56 A62 Y63 L160I55-C59 PolarHBondContact O-N 2.9Å; I55-C59 PolarHBondContact O-SG 2.83Å; N56-C59 PolarHBondContact O-N 3.27Å; C59-A62 PolarHBondContact O-N 3.32Å; C59-Y63 WeakPolarHBondContact O-CB 3.36Å; C59-Y63 PolarHBondContact O-N 2.77Å; C59-L160 VanDerWaalsContact SG-CD2 3.54Å
60I98.4Very high98.3Very high18 Ų1853.7 Ų53.79%0.09230%0.296CS..Hα-helixtrans-66.1-42.4178.7-67.5167.3000110.8F37 N56 Y63 I64 S161F37-I60 HydrophobicContact CE2-CD1 3.61Å; F37-I60 HydrophobicContact CZ-CD1 3.87Å; N56-I60 WeakPolarHBondContact O-CG1 3.02Å; N56-I60 PolarHBondContact O-N 2.84Å; I60-Y63 WeakPolarHBondContact O-CB 3.31Å; I60-Y63 PolarHBondContact O-N 3.39Å; I60-I64 HydrophobicContact CG2-CD1 3.85Å; I60-I64 HydrophobicContact CG2-CG1 4.41Å; I60-I64 VanDerWaalsContact O-CG1 3.29Å; I60-I64 WeakPolarHBondContact O-CG1 3.16Å; I60-I64 PolarHBondContact O-N 3.44Å; I60-S161 WeakPolarHBondContact CG1-OG 3.1Å
61G98.4Very high98.4Very high32 Ų3247.6 Ų47.633%0.3327%0.265SS..Hα-helixtrans-59.9-47.217600000112.1A57 I58 I64 V65A57-G61 PolarHBondContact O-N 2.82Å; I58-G61 PolarHBondContact O-N 2.78Å; G61-I64 PolarHBondContact O-N 3.26Å; G61-V65 WeakPolarHBondContact O-CG2 3.42Å; G61-V65 PolarHBondContact O-N 2.96Å
62A98.7Very high98.4Very high27 Ų2747 Ų4722%0.22326%0.262CS..Hα-helixtrans-62.3-43.3175.200000111.9I58 C59 I64 V65 F66 M157I58-A62 VanDerWaalsContact O-CB 3.32Å; I58-A62 WeakPolarHBondContact O-CB 3.47Å; I58-A62 PolarHBondContact O-N 3.08Å; C59-A62 PolarHBondContact O-N 3.32Å; A62-I64 PolarHBondContact O-N 3.41Å; A62-V65 PolarHBondContact O-N 3.24Å; A62-F66 HydrophobicContact CB-CE2 4.33Å; A62-F66 WeakPolarHBondContact O-CB 3.23Å; A62-F66 WeakPolarHBondContact O-CD2 3.28Å; A62-F66 WeakPolarHBondContact O-CG 3.48Å; A62-F66 PolarHBondContact O-N 3.06Å; A62-M157 HydrophobicContact CB-CG 3.88Å; A62-M157 HydrophobicContact CB-SD 3.87Å
63Y98.7Very high98.4Very high30 Ų3046.5 Ų46.512%0.11826%0.26CS..Hα-helixtrans-55.8-48.9173.2166.1-94.5000111.8T29 C59 I60 V65 F66 N67 I154 A158T29-Y63 HydrophobicContact CG2-CD1 4.08Å; T29-Y63 HydrophobicContact CG2-CE1 3.61Å; T29-Y63 WeakPolarHBondContact OG1-CE1 3.48Å; T29-Y63 PolarHBondContact OG1-OH 3.35Å; C59-Y63 WeakPolarHBondContact O-CB 3.36Å; C59-Y63 PolarHBondContact O-N 2.77Å; I60-Y63 WeakPolarHBondContact O-CB 3.31Å; I60-Y63 PolarHBondContact O-N 3.39Å; Y63-V65 PolarHBondContact O-N 3.01Å; Y63-F66 PolarHBondContact O-N 3.11Å; Y63-N67 VanDerWaalsContact O-CB 3.29Å; Y63-N67 WeakPolarHBondContact O-CB 3.41Å; Y63-N67 PolarHBondContact O-N 3.47Å; Y63-I154 HydrophobicContact CD2-CG2 3.94Å; Y63-I154 HydrophobicContact CE2-CG2 3.56Å; Y63-A158 HydrophobicContact CD2-CB 3.8Å; Y63-A158 HydrophobicContact CE2-CB 3.86Å
64I98.4Very high98.4Very high77 Ų7742.9 Ų42.940%0.39525%0.245SC..Hα-helixtrans-61.6-46.2179.3-69.2167.6000110.5I60 G61 A62 N67 I68I60-I64 HydrophobicContact CG2-CD1 3.85Å; I60-I64 HydrophobicContact CG2-CG1 4.41Å; I60-I64 VanDerWaalsContact O-CG1 3.29Å; I60-I64 WeakPolarHBondContact O-CG1 3.16Å; I60-I64 PolarHBondContact O-N 3.44Å; G61-I64 PolarHBondContact O-N 3.26Å; A62-I64 PolarHBondContact O-N 3.41Å; I64-N67 WeakPolarHBondContact O-CB 3.39Å; I64-N67 PolarHBondContact O-N 3.48Å; I64-I68 HydrophobicContact CG2-CD1 3.79Å; I64-I68 HydrophobicContact CG2-CG1 4.43Å; I64-I68 WeakPolarHBondContact O-CG1 3.27Å; I64-I68 PolarHBondContact O-N 3.41Å
65V98.6Very high98.4Very high78 Ų7839.6 Ų39.647%0.47323%0.225SC..Hα-helixtrans-60.6-49.6178.4169.80000111G61 A62 Y63 N67 I68 I69G61-V65 WeakPolarHBondContact O-CG2 3.42Å; G61-V65 PolarHBondContact O-N 2.96Å; A62-V65 PolarHBondContact O-N 3.24Å; Y63-V65 PolarHBondContact O-N 3.01Å; V65-N67 VanDerWaalsContact C-N 3.3Å; V65-N67 PolarHBondContact O-N 3.44Å; V65-I68 PolarHBondContact O-N 2.92Å; V65-I69 HydrophobicContact CG1-CD1 3.74Å; V65-I69 VanDerWaalsContact O-CG1 3.27Å; V65-I69 WeakPolarHBondContact O-CG1 3.45Å; V65-I69 PolarHBondContact O-N 3.43Å
66F98.7Very high98.3Very high63 Ų6335.2 Ų35.228%0.27620%0.203SC..Hα-helixtrans-61.8-38177.1-67.8-41.8000112.3A62 Y63 I69 A70 Y150 I154 M157A62-F66 HydrophobicContact CB-CE2 4.33Å; A62-F66 WeakPolarHBondContact O-CB 3.23Å; A62-F66 WeakPolarHBondContact O-CD2 3.28Å; A62-F66 WeakPolarHBondContact O-CG 3.48Å; A62-F66 PolarHBondContact O-N 3.06Å; Y63-F66 PolarHBondContact O-N 3.11Å; F66-I69 PolarHBondContact O-N 3.15Å; F66-A70 VanDerWaalsContact O-CB 3.31Å; F66-A70 WeakPolarHBondContact O-CB 3.3Å; F66-A70 PolarHBondContact O-N 2.95Å; F66-Y150 AromaticContact CD1-CD1 3.85Å; F66-Y150 HydrophobicContact CD1-CD1 3.85Å; F66-Y150 HydrophobicContact CE1-CD1 4.31Å; F66-I154 HydrophobicContact CB-CG1 3.72Å; F66-M157 HydrophobicContact CD2-CG 3.93Å; F66-M157 HydrophobicContact CE2-CG 3.82Å
67N98.3Very high98.3Very high11 Ų1135.5 Ų35.56%0.05920%0.204CC..Hα-helixtrans-61.7-51.3176-161-77.4000111.3Y63 I64 V65 I69 A70 V71 L139 I154Y63-N67 VanDerWaalsContact O-CB 3.29Å; Y63-N67 WeakPolarHBondContact O-CB 3.41Å; Y63-N67 PolarHBondContact O-N 3.47Å; I64-N67 WeakPolarHBondContact O-CB 3.39Å; I64-N67 PolarHBondContact O-N 3.48Å; V65-N67 VanDerWaalsContact C-N 3.3Å; V65-N67 PolarHBondContact O-N 3.44Å; N67-I69 VanDerWaalsContact C-N 3.3Å; N67-I69 PolarHBondContact O-N 3.38Å; N67-A70 PolarHBondContact O-N 2.82Å; N67-V71 WeakPolarHBondContact O-CB 3.37Å; N67-V71 WeakPolarHBondContact O-CG2 3.27Å; N67-V71 PolarHBondContact O-N 2.83Å; N67-L139 WeakPolarHBondContact ND2-CD2 3.15Å; N67-I154 HydrophobicContact CB-CD1 4.28Å; N67-I154 HydrophobicContact CB-CG1 4.37Å
68I98.4Very high98.2Very high88 Ų8837 Ų3745%0.45121%0.209SC..Hα-helixtrans-56.2-46.3177.3-69.2168000110.3I64 V65 S72I64-I68 HydrophobicContact CG2-CD1 3.79Å; I64-I68 HydrophobicContact CG2-CG1 4.43Å; I64-I68 WeakPolarHBondContact O-CG1 3.27Å; I64-I68 PolarHBondContact O-N 3.41Å; V65-I68 PolarHBondContact O-N 2.92Å; I68-S72 WeakPolarHBondContact O-CB 3.32Å; I68-S72 PolarHBondContact O-N 3.38Å; I68-S72 PolarHBondContact O-OG 3.44Å
69I98.6Very high98Very high54 Ų5432.6 Ų32.628%0.27719%0.191SC..Hα-helixtrans-64.3-51.6180-64.5167000111V65 F66 N67 V71 S72 I73 Y150V65-I69 HydrophobicContact CG1-CD1 3.74Å; V65-I69 VanDerWaalsContact O-CG1 3.27Å; V65-I69 WeakPolarHBondContact O-CG1 3.45Å; V65-I69 PolarHBondContact O-N 3.43Å; F66-I69 PolarHBondContact O-N 3.15Å; N67-I69 VanDerWaalsContact C-N 3.3Å; N67-I69 PolarHBondContact O-N 3.38Å; I69-V71 VanDerWaalsContact C-N 3.32Å; I69-V71 PolarHBondContact O-N 3.4Å; I69-S72 PolarHBondContact O-N 3Å; I69-S72 VanDerWaalsContact O-N 3.14Å; I69-I73 HydrophobicContact CG2-CD1 3.61Å; I69-I73 HydrophobicContact CG2-CG1 4.25Å; I69-I73 VanDerWaalsContact O-CG1 3.32Å; I69-I73 WeakPolarHBondContact O-CG1 3.14Å; I69-I73 PolarHBondContact O-N 2.98Å; I69-Y150 HydrophobicContact CB-CD1 4.25Å; I69-Y150 HydrophobicContact CB-CE1 4.49Å; I69-Y150 HydrophobicContact CB-CG 4.32Å; I69-Y150 HydrophobicContact CD1-CD1 4.35Å; I69-Y150 HydrophobicContact CD1-CE1 4.13Å; I69-Y150 HydrophobicContact CG2-CD1 3.75Å; I69-Y150 HydrophobicContact CG2-CD2 3.6Å; I69-Y150 HydrophobicContact CG2-CE1 3.71Å; I69-Y150 HydrophobicContact CG2-CE2 3.58Å; I69-Y150 HydrophobicContact CG2-CG 3.68Å
70A98.5Very high97.9Very high0 Ų032.7 Ų32.70%019%0.191CC..Hα-helixtrans-63.2-36.4-176.600000113.2F66 N67 L139 N141 N147 I154F66-A70 VanDerWaalsContact O-CB 3.31Å; F66-A70 WeakPolarHBondContact O-CB 3.3Å; F66-A70 PolarHBondContact O-N 2.95Å; N67-A70 PolarHBondContact O-N 2.82Å; A70-L139 HydrophobicContact CB-CD1 4.43Å; A70-N141 PolarHBondContact O-ND2 3.2Å; A70-N147 PolarHBondContact O-ND2 3.35Å; A70-I154 HydrophobicContact CB-CD1 3.64Å
71V98.3Very high97.8Very high0 Ų035 Ų350%020%0.198CC..Hα-helixtrans-72.2-36.5175.71760000110.7N12 G13 W14 N67 I69 L139 N141N12-V71 VanDerWaalsContact CB-O 3.32Å; N12-V71 WeakPolarHBondContact CB-O 3.32Å; G13-V71 PolarHBondContact N-O 3.31Å; W14-V71 HydrophobicContact CD2-CG1 3.69Å; W14-V71 HydrophobicContact CE3-CG1 4.3Å; W14-V71 HydrophobicContact CG-CG1 4.01Å; W14-V71 HydrophobicContact CH2-CG1 4.37Å; W14-V71 HydrophobicContact CZ2-CB 4.28Å; W14-V71 HydrophobicContact CZ2-CG1 3.77Å; N67-V71 WeakPolarHBondContact O-CB 3.37Å; N67-V71 WeakPolarHBondContact O-CG2 3.27Å; N67-V71 PolarHBondContact O-N 2.83Å; I69-V71 VanDerWaalsContact C-N 3.32Å; I69-V71 PolarHBondContact O-N 3.4Å; V71-L139 HydrophobicContact CG2-CB 4.16Å; V71-L139 HydrophobicContact CG2-CD2 3.91Å; V71-N141 PolarHBondContact O-ND2 3.34Å
72S98.3Very high97.7Very high49 Ų4939 Ų3934%0.34321%0.208SC..Hα-helixtrans-78.8-30.1-176.3-58.80000113.9N12 W14 I68 I69 N74N12-S72 WeakPolarHBondContact CB-O 3.37Å; N12-S72 PolarHBondContact ND2-O 2.63Å; W14-S72 PolarHBondContact NE1-OG 2.98Å; I68-S72 WeakPolarHBondContact O-CB 3.32Å; I68-S72 PolarHBondContact O-N 3.38Å; I68-S72 PolarHBondContact O-OG 3.44Å; I69-S72 PolarHBondContact O-N 3Å; I69-S72 VanDerWaalsContact O-N 3.14Å; S72-N74 PolarHBondContact O-N 2.94Å
73I98Very high97.5Very high32 Ų3239.3 Ų39.316%0.16421%0.205CC..SBendtrans-63.8132.7178-72.5169.1000110.3I69 P75 N141 R146 N147 Y150I69-I73 HydrophobicContact CG2-CD1 3.61Å; I69-I73 HydrophobicContact CG2-CG1 4.25Å; I69-I73 VanDerWaalsContact O-CG1 3.32Å; I69-I73 WeakPolarHBondContact O-CG1 3.14Å; I69-I73 PolarHBondContact O-N 2.98Å; I73-P75 WeakPolarHBondContact O-CD 3.32Å; I73-N141 PolarHBondContact O-ND2 2.99Å; I73-R146 HydrophobicContact CG2-CB 3.9Å; I73-N147 HydrophobicContact CB-CB 4.23Å; I73-N147 HydrophobicContact CD1-CB 4.24Å; I73-N147 HydrophobicContact CG2-CB 4.05Å; I73-Y150 HydrophobicContact CD1-CD2 3.57Å; I73-Y150 HydrophobicContact CD1-CE2 3.4Å; I73-Y150 VanDerWaalsContact CD1-CE2 3.4Å
74N97.8Very high97.3Very high26 Ų2639 Ų3914%0.13920%0.204CC..  trans-79110.1164-175.3-5.9000109I11 S72 A76 Q84 K127 R146I11-N74 HydrophobicContact CG2-CB 4.41Å; I11-N74 WeakPolarHBondContact O-CA 3.19Å; I11-N74 VanDerWaalsContact O-CB 3.27Å; I11-N74 WeakPolarHBondContact O-CB 3.43Å; I11-N74 PolarHBondContact O-OD1 2.84Å; S72-N74 PolarHBondContact O-N 2.94Å; N74-A76 PolarHBondContact O-N 3.14Å; N74-A76 WeakPolarHBondContact OD1-CB 3.39Å; N74-A76 PolarHBondContact OD1-N 3.07Å; N74-Q84 PolarHBondContact ND2-OE1 3.07Å; N74-K127 PolarHBondContact OD1-NZ 3.48Å; N74-R146 WeakPolarHBondContact O-CD 3.46Å; N74-R146 PolarHBondContact O-NE 3.36Å; N74-R146 VanDerWaalsContact O-NE 3.12Å
75P97.7Very high97.1Very high0 Ų044.3 Ų44.30%022%0.224CC..  trans-80.11.6-177.734.6-38.7000113.2I73 I129 N141 C142I73-P75 WeakPolarHBondContact O-CD 3.32Å; P75-I129 HydrophobicContact CB-CD1 4.35Å; P75-I129 HydrophobicContact CB-CG2 4.31Å; P75-I129 HydrophobicContact CG-CD1 3.94Å; P75-I129 WeakPolarHBondContact O-CG2 3.41Å; P75-N141 VanDerWaalsContact CD-OD1 3.27Å; P75-N141 WeakPolarHBondContact CD-OD1 3.39Å; P75-N141 VanDerWaalsContact CG-OD1 3.3Å; P75-N141 WeakPolarHBondContact CG-OD1 3.04Å; P75-C142 HydrophobicContact CB-CB 4.4Å; P75-C142 WeakPolarHBondContact CB-O 3.41Å; P75-C142 HydrophobicContact CG-CB 3.83Å; P75-C142 WeakPolarHBondContact CG-O 3.33Å
76A97.6Very high96.9Very high0 Ų047.4 Ų47.40%024%0.238CC..BIsolated β-bridgetrans-61.8153-175.400000113.1N74 V80 R81 K127 C128N74-A76 PolarHBondContact O-N 3.14Å; N74-A76 WeakPolarHBondContact OD1-CB 3.39Å; N74-A76 PolarHBondContact OD1-N 3.07Å; A76-V80 HydrophobicContact CB-CB 4.09Å; A76-V80 HydrophobicContact CB-CG1 3.87Å; A76-R81 HydrophobicContact CB-CG 3.83Å; A76-R81 WeakPolarHBondContact O-CD 3.42Å; A76-R81 PolarHBondContact O-NE 2.84Å; A76-R81 VanDerWaalsContact O-NE 3.16Å; A76-K127 HydrophobicContact CB-CD 3.89Å; A76-K127 HydrophobicContact CB-CG 4.32Å; A76-C128 VanDerWaalsContact CA-O 3.3Å; A76-C128 WeakPolarHBondContact CA-O 3.29Å
77D97Very high96.6Very high5 Ų554 Ų543%0.02726%0.261CS..  trans-51.7147.6169.4-166.7-65.1000110.9A79 V80 R81 S115 T119 C128 A130D77-A79 VanDerWaalsContact C-N 3.33Å; D77-A79 PolarHBondContact O-N 2.99Å; D77-A79 PolarHBondContact OD1-N 2.95Å; D77-V80 HydrophobicContact CB-CB 4.49Å; D77-V80 HydrophobicContact CB-CG2 4.16Å; D77-V80 WeakPolarHBondContact O-CB 3.49Å; D77-V80 PolarHBondContact O-N 3.05Å; D77-R81 WeakPolarHBondContact O-CG 3.31Å; D77-R81 PolarHBondContact O-N 3.35Å; D77-S115 VanDerWaalsContact OD2-CB 3.27Å; D77-S115 WeakPolarHBondContact OD2-CB 3.47Å; D77-S115 PolarHBondContact OD2-N 3.29Å; D77-S115 PolarHBondContact OD2-OG 3.34Å; D77-T119 HydrophobicContact CB-CG2 4.39Å; D77-T119 WeakPolarHBondContact OD2-CG2 3.34Å; D77-T119 PolarHBondContact OD2-OG1 3.42Å; D77-C128 HydrophobicContact CB-CB 4.23Å; D77-C128 PolarHBondContact N-O 3.15Å; D77-A130 HydrophobicContact CB-CB 4.43Å
78T96.6Very high96.2Very high66 Ų6655.1 Ų55.141%0.40528%0.275SS..Hα-helixtrans-55.4-46.1-175.7-61.50000112.1V80 R81 E82T78-V80 VanDerWaalsContact C-N 3.25Å; T78-V80 PolarHBondContact O-N 2.95Å; T78-R81 PolarHBondContact O-N 2.79Å; T78-R81 VanDerWaalsContact O-N 3.12Å; T78-R81 PolarHBondContact OG1-NH2 2.93Å; T78-E82 WeakPolarHBondContact O-CG 3.32Å; T78-E82 PolarHBondContact O-N 2.73Å
79A95.7Very high95.8Very high22 Ų2253.5 Ų53.518%0.18227%0.267CS..Hα-helixtrans-61.8-35.8178.600000112D77 K83 L112D77-A79 VanDerWaalsContact C-N 3.33Å; D77-A79 PolarHBondContact O-N 2.99Å; D77-A79 PolarHBondContact OD1-N 2.95Å; A79-K83 WeakPolarHBondContact O-CB 3.5Å; A79-K83 PolarHBondContact O-N 2.92Å; A79-L112 HydrophobicContact CB-CB 4.42Å; A79-L112 HydrophobicContact CB-CD1 4.18Å; A79-L112 HydrophobicContact CB-CD2 4.38Å; A79-L112 WeakPolarHBondContact O-CD1 3.49Å
80V96.2Very high95.3Very high9 Ų957.8 Ų57.86%0.05528%0.284CS..Hα-helixtrans-68.7-42.1176.81760000111A76 D77 T78 E82 K83 Q84 C110 L112 K127 C128A76-V80 HydrophobicContact CB-CB 4.09Å; A76-V80 HydrophobicContact CB-CG1 3.87Å; D77-V80 HydrophobicContact CB-CB 4.49Å; D77-V80 HydrophobicContact CB-CG2 4.16Å; D77-V80 WeakPolarHBondContact O-CB 3.49Å; D77-V80 PolarHBondContact O-N 3.05Å; T78-V80 VanDerWaalsContact C-N 3.25Å; T78-V80 PolarHBondContact O-N 2.95Å; V80-E82 VanDerWaalsContact C-N 3.31Å; V80-E82 PolarHBondContact O-N 3.32Å; V80-K83 PolarHBondContact O-N 3.17Å; V80-Q84 HydrophobicContact CG1-CG 4.33Å; V80-Q84 WeakPolarHBondContact O-CB 3.35Å; V80-Q84 VanDerWaalsContact O-CG 3.29Å; V80-Q84 WeakPolarHBondContact O-CG 3.41Å; V80-Q84 PolarHBondContact O-N 2.85Å; V80-C110 HydrophobicContact CG2-CB 4.3Å; V80-L112 HydrophobicContact CB-CD1 4.32Å; V80-L112 HydrophobicContact CG2-CD1 3.83Å; V80-K127 HydrophobicContact CG1-CB 4.15Å; V80-C128 HydrophobicContact CG2-CB 4Å
81R96.4Very high94.7Very high67 Ų6758.4 Ų58.425%0.25329%0.288SS..Hα-helixtrans-63.2-39.8177.7-66.9-175.1-66.9127.11.6111.4A76 D77 T78 Q84 K85 R146A76-R81 HydrophobicContact CB-CG 3.83Å; A76-R81 WeakPolarHBondContact O-CD 3.42Å; A76-R81 PolarHBondContact O-NE 2.84Å; A76-R81 VanDerWaalsContact O-NE 3.16Å; D77-R81 WeakPolarHBondContact O-CG 3.31Å; D77-R81 PolarHBondContact O-N 3.35Å; T78-R81 PolarHBondContact O-N 2.79Å; T78-R81 VanDerWaalsContact O-N 3.12Å; T78-R81 PolarHBondContact OG1-NH2 2.93Å; R81-Q84 PolarHBondContact O-N 2.75Å; R81-K85 PolarHBondContact O-N 2.71Å; R81-R146 VanDerWaalsContact CZ-CZ 3.48Å
82E95.8Very high93.9Very high114 Ų11459.9 Ų59.953%0.53330%0.298SS..Hα-helixtrans-64.6-47.3174.4-70.8171.2-178.600111.7T78 V80 Q84 K85 L86T78-E82 WeakPolarHBondContact O-CG 3.32Å; T78-E82 PolarHBondContact O-N 2.73Å; V80-E82 VanDerWaalsContact C-N 3.31Å; V80-E82 PolarHBondContact O-N 3.32Å; E82-Q84 VanDerWaalsContact C-N 3.3Å; E82-Q84 PolarHBondContact O-N 3.29Å; E82-K85 PolarHBondContact O-N 2.78Å; E82-K85 VanDerWaalsContact O-N 3.17Å; E82-L86 WeakPolarHBondContact O-CG 3.46Å; E82-L86 PolarHBondContact O-N 3.42Å
83K94.6Very high93.2Very high35 Ų3562.7 Ų62.715%0.15232%0.318CS..Hα-helixtrans-57.7-43.1173.3-179.1173.9178.9168.30111.6A79 V80 K85 L86 R87 C110 E111 L112A79-K83 WeakPolarHBondContact O-CB 3.5Å; A79-K83 PolarHBondContact O-N 2.92Å; V80-K83 PolarHBondContact O-N 3.17Å; K83-K85 VanDerWaalsContact C-N 3.34Å; K83-K85 PolarHBondContact O-N 3.3Å; K83-L86 PolarHBondContact O-N 3.08Å; K83-R87 PolarHBondContact O-N 3.2Å; K83-C110 PolarHBondContact NZ-O 3.45Å; K83-E111 IonicContact NZ-OE2 3.02Å; K83-E111 PolarHBondContact NZ-OE2 3.39Å; K83-L112 HydrophobicContact CB-CD1 3.87Å; K83-L112 HydrophobicContact CD-CD1 3.71Å; K83-L112 HydrophobicContact CD-CD2 4.35Å; K83-L112 HydrophobicContact CD-CG 4.04Å; K83-L112 HydrophobicContact CG-CD1 4.41Å
84Q94.9Very high92.6Very high22 Ų2264.1 Ų64.110%0.10333%0.325CS..Hα-helixtrans-62-39.5177.4-76.7176.9-23.200112.5S9 I11 N74 V80 R81 E82 G88 N89S9-Q84 PolarHBondContact OG-NE2 3.03Å; I11-Q84 HydrophobicContact CD1-CB 4.44Å; I11-Q84 HydrophobicContact CD1-CG 4.23Å; N74-Q84 PolarHBondContact ND2-OE1 3.07Å; V80-Q84 HydrophobicContact CG1-CG 4.33Å; V80-Q84 WeakPolarHBondContact O-CB 3.35Å; V80-Q84 VanDerWaalsContact O-CG 3.29Å; V80-Q84 WeakPolarHBondContact O-CG 3.41Å; V80-Q84 PolarHBondContact O-N 2.85Å; R81-Q84 PolarHBondContact O-N 2.75Å; E82-Q84 VanDerWaalsContact C-N 3.3Å; E82-Q84 PolarHBondContact O-N 3.29Å; Q84-G88 WeakPolarHBondContact CA-O 3.19Å; Q84-G88 VanDerWaalsContact O-CA 3.27Å; Q84-G88 WeakPolarHBondContact O-CA 3.48Å; Q84-G88 PolarHBondContact O-N 3.37Å; Q84-G88 VanDerWaalsContact O-N 3.17Å; Q84-N89 HydrophobicContact CG-CB 4.4Å
85K94.2Very high91.9Very high189 Ų18966 Ų6682%0.82234%0.335SS*.Hα-helixtrans-66.1-38.9176.2-174.4-179.2177.6-1750112.3R81 E82 K83R81-K85 PolarHBondContact O-N 2.71Å; E82-K85 PolarHBondContact O-N 2.78Å; E82-K85 VanDerWaalsContact O-N 3.17Å; K83-K85 VanDerWaalsContact C-N 3.34Å; K83-K85 PolarHBondContact O-N 3.3Å
86L93.9Very high91.4Very high144 Ų14472.1 Ų72.175%0.75438%0.375SS*.Hα-helixtrans-90.2-38.9-172.6-65.2173.3000114.1E82 K83E82-L86 WeakPolarHBondContact O-CG 3.46Å; E82-L86 PolarHBondContact O-N 3.42Å; K83-L86 PolarHBondContact O-N 3.08Å
87R91.8Very high90.9Very high201 Ų20180.3 Ų80.376%0.75841%0.411SS*.Hα-helixtrans-121.31.9-169.5-59.8-175.2179.9-174.81.1113.4K83K83-R87 PolarHBondContact O-N 3.2Å
88G91Very high90.3Very high35 Ų3583 Ų8336%0.36142%0.423SS..  trans75.3-172.4-172.600000112.9Q84Q84-G88 WeakPolarHBondContact CA-O 3.19Å; Q84-G88 VanDerWaalsContact O-CA 3.27Å; Q84-G88 WeakPolarHBondContact O-CA 3.48Å; Q84-G88 PolarHBondContact O-N 3.37Å; Q84-G88 VanDerWaalsContact O-N 3.17Å
89N89.3Confident89.7Confident53 Ų5385.6 Ų85.628%0.28344%0.439SS..SBendtrans-100.611.2-167.570.6-18000114.5S9 I11 Q84S9-N89 PolarHBondContact N-O 3.35Å; S9-N89 PolarHBondContact O-ND2 2.97Å; S9-N89 WeakPolarHBondContact OG-CB 3.45Å; S9-N89 PolarHBondContact OG-O 3.24Å; I11-N89 HydrophobicContact CD1-CB 3.99Å; Q84-N89 HydrophobicContact CG-CB 4.4Å
90K87.9Confident89.4Confident144 Ų14490.3 Ų90.363%0.62646%0.457SS*.BIsolated β-bridgetrans-66.3133.2178.4-68.4179.7179.2177.40110.2K6K6-K90 HydrophobicContact CD-CD 4.43Å
91V85.1Confident89.2Confident13 Ų1392.2 Ų92.28%0.07947%0.468CS..  trans-109.7144.4178.7-169.10000109.3S7 L109 N126S7-V91 WeakPolarHBondContact O-CB 3.27Å; S7-V91 PolarHBondContact O-N 3.27Å; S7-V91 VanDerWaalsContact O-N 3.08Å; V91-L109 VanDerWaalsContact CG1-O 3.27Å; V91-L109 WeakPolarHBondContact CG1-O 3.45Å; V91-N126 VanDerWaalsContact CB-ND2 3.28Å; V91-N126 WeakPolarHBondContact CB-ND2 3.31Å; V91-N126 HydrophobicContact CG2-CB 4.4Å; V91-N126 WeakPolarHBondContact CG2-ND2 3.19Å; V91-N126 WeakPolarHBondContact CG2-O 3.33Å
92S81.9Confident89Confident32 Ų3291.3 Ų91.322%0.22447%0.468CS..PPolyproline II helixtrans-77.9160.2173.745.50000111.6L109 E111S92-L109 PolarHBondContact OG-O 2.95Å; S92-E111 WeakPolarHBondContact CB-OE1 3.32Å; S92-E111 PolarHBondContact OG-OE1 3.15Å
93S83.1Confident88.7Confident108 Ų10888.5 Ų88.576%0.75546%0.455SS*.PPolyproline II helixtrans-74.5145.2166.351.20000109.6D95S93-D95 PolarHBondContact O-N 3.14Å
94L85.6Confident88.5Confident61 Ų6194.6 Ų94.632%0.31949%0.489SS..PPolyproline II helixtrans-62.4124.4173.4-171.563.2000109.3P96 H98 V101 N108 L109L94-P96 WeakPolarHBondContact O-CD 3.34Å; L94-H98 HydrophobicContact CD1-CB 4.11Å; L94-V101 HydrophobicContact CD2-CG2 4.31Å; L94-N108 HydrophobicContact CD1-CB 3.74Å; L94-L109 HydrophobicContact CB-CD2 3.65Å; L94-L109 HydrophobicContact CB-CG 4.39Å; L94-L109 HydrophobicContact CD1-CD2 4.25Å; L94-L109 HydrophobicContact CD1-CG 4.18Å
95D84.2Confident88.5Confident65 Ų6599.5 Ų99.535%0.34851%0.51SS..PPolyproline II helixtrans-62.8127.1171-177.8-23000108.3S93 K97 H98S93-D95 PolarHBondContact O-N 3.14Å; D95-K97 PolarHBondContact O-N 3.38Å; D95-K97 WeakPolarHBondContact OD1-CB 3.49Å; D95-K97 WeakPolarHBondContact OD1-CG 3.33Å; D95-K97 PolarHBondContact OD1-N 3.15Å; D95-H98 PolarHBondContact O-N 2.94Å
96P86.2Confident88.5Confident130 Ų13094.8 Ų94.884%0.84449%0.488SS*.THydrogen-bonded Turntrans-51.4-19176.7-2834.6000115.4L94 H98L94-P96 WeakPolarHBondContact O-CD 3.34Å; P96-H98 VanDerWaalsContact C-N 3.28Å; P96-H98 PolarHBondContact O-N 3.41Å
97K86.9Confident88.6Confident171 Ų17188 Ų8874%0.74345%0.452SS*.THydrogen-bonded Turntrans-66.9-25.4175.3-67.7173.7-170.9164.40113.7D95D95-K97 PolarHBondContact O-N 3.38Å; D95-K97 WeakPolarHBondContact OD1-CB 3.49Å; D95-K97 WeakPolarHBondContact OD1-CG 3.33Å; D95-K97 PolarHBondContact OD1-N 3.15Å
98H84.8Confident88.7Confident61 Ų6179.4 Ų79.428%0.28242%0.421SS..  trans-93120.4-179.6-64.6-68.2000110.7L94 D95 P96 E103 N108L94-H98 HydrophobicContact CD1-CB 4.11Å; D95-H98 PolarHBondContact O-N 2.94Å; P96-H98 VanDerWaalsContact C-N 3.28Å; P96-H98 PolarHBondContact O-N 3.41Å; H98-E103 IonicContact CE1-OE2 3.26Å; H98-E103 IonicContact CG-OE2 3.93Å; H98-E103 IonicContact ND1-OE2 3.81Å; H98-E103 PolarHBondContact ND1-OE2 3.21Å; H98-N108 HydrophobicContact CB-CB 4.32Å; H98-N108 PolarHBondContact CE1-OD1 3.02Å; H98-N108 VanDerWaalsContact CG-ND2 3.35Å; H98-N108 PolarHBondContact ND1-ND2 3.44Å
99V84.5Confident88.8Confident121 Ų12178.9 Ų78.973%0.73341%0.41SS*.SBendtrans-75.8-36.2177.3179.40000109.9E103V99-E103 PolarHBondContact N-OE1 3.33Å
100H88.8Confident89Confident122 Ų12276.9 Ų76.957%0.56540%0.4SS*.SBendtrans-113.8144.2179.8-59.4-60.6000111.5I102 E103 N108H100-I102 PolarHBondContact O-N 3.41Å; H100-E103 HydrophobicContact CB-CG 3.84Å; H100-E103 PolarHBondContact N-OE1 3.18Å; H100-N108 PolarHBondContact O-ND2 3.01Å
101V91.9Very high89.2Confident48 Ų4874.2 Ų74.229%0.29139%0.39SS..SBendtrans-62.4-33.6176.2173.50000111.3L94 C107 N108 L109 H121L94-V101 HydrophobicContact CD2-CG2 4.31Å; V101-C107 CarbonylContact O-C 3.6Å; V101-C107 WeakPolarHBondContact O-CA 3.37Å; V101-N108 PolarHBondContact O-N 2.95Å; V101-L109 HydrophobicContact CB-CD1 4.42Å; V101-L109 HydrophobicContact CG1-CB 4.16Å; V101-L109 HydrophobicContact CG1-CD1 3.59Å; V101-L109 HydrophobicContact CG1-CG 3.87Å; V101-L109 HydrophobicContact CG2-CD1 3.92Å; V101-L109 HydrophobicContact CG2-CG 4.47Å; V101-H121 HydrophobicContact CG1-CB 3.7Å
102I92.1Very high89.7Confident48 Ų4875.1 Ų75.125%0.24639%0.394CS..EExtended strand (participates in β ladder)trans-122.3123177.8-64.3174.9000108.6H100 Y106 C107 I114 H121H100-I102 PolarHBondContact O-N 3.41Å; I102-Y106 CarbonylContact C-O 3.49Å; I102-Y106 VanDerWaalsContact CA-O 3.24Å; I102-Y106 WeakPolarHBondContact CA-O 3.39Å; I102-C107 HydrophobicContact CG1-CB 4.03Å; I102-I114 HydrophobicContact CD1-CG2 4.36Å; I102-I114 HydrophobicContact CG2-CD1 3.69Å; I102-I114 HydrophobicContact CG2-CG2 4.48Å; I102-H121 HydrophobicContact CD1-CB 4.29Å
103E90Very high90.3Very high55 Ų5577.5 Ų77.526%0.25741%0.409SS..EExtended strand (participates in β ladder)trans-136.6134.9178.7-66.6172.8174.500107.9H98 V99 H100 F105 Y106H98-E103 IonicContact CE1-OE2 3.26Å; H98-E103 IonicContact CG-OE2 3.93Å; H98-E103 IonicContact ND1-OE2 3.81Å; H98-E103 PolarHBondContact ND1-OE2 3.21Å; V99-E103 PolarHBondContact N-OE1 3.33Å; H100-E103 HydrophobicContact CB-CG 3.84Å; H100-E103 PolarHBondContact N-OE1 3.18Å; E103-F105 PolarHBondContact O-N 3.26Å; E103-Y106 PolarHBondContact N-O 2.97Å; E103-Y106 WeakPolarHBondContact O-CA 3.45Å; E103-Y106 WeakPolarHBondContact O-CB 3.39Å; E103-Y106 PolarHBondContact O-N 3.33Å
104N90.8Very high90.9Very high163 Ų16373.2 Ų73.287%0.87238%0.377SS*.THydrogen-bonded Turntrans47.950.5176.8-57.3-32.6000114.7Y106N104-Y106 PolarHBondContact O-N 3.29Å
105F93.5Very high91.2Very high125 Ų12573.9 Ų73.955%0.54839%0.387SS..THydrogen-bonded Turntrans56.827.7-176.8-67.7-95.5000114.6E103 P113 I114E103-F105 PolarHBondContact O-N 3.26Å; F105-P113 CarbonylContact O-C 3.57Å; F105-P113 WeakPolarHBondContact O-CA 3.39Å; F105-I114 HydrophobicContact CB-CD1 4.36Å; F105-I114 HydrophobicContact CB-CG1 4.01Å; F105-I114 HydrophobicContact CD1-CD1 4.02Å; F105-I114 HydrophobicContact CD1-CG1 3.9Å; F105-I114 HydrophobicContact CG-CD1 4.48Å; F105-I114 HydrophobicContact CG-CG1 4.39Å; F105-I114 WeakPolarHBondContact O-CG1 3.31Å; F105-I114 PolarHBondContact O-N 2.94Å
106Y95.1Very high91.7Very high91 Ų9172.2 Ų72.236%0.35738%0.38SS..EExtended strand (participates in β ladder)trans-130133.3177.5-171.7-93.1000110.4I102 E103 N104 N108 E111 L112I102-Y106 CarbonylContact C-O 3.49Å; I102-Y106 VanDerWaalsContact CA-O 3.24Å; I102-Y106 WeakPolarHBondContact CA-O 3.39Å; E103-Y106 PolarHBondContact N-O 2.97Å; E103-Y106 WeakPolarHBondContact O-CA 3.45Å; E103-Y106 WeakPolarHBondContact O-CB 3.39Å; E103-Y106 PolarHBondContact O-N 3.33Å; N104-Y106 PolarHBondContact O-N 3.29Å; Y106-N108 WeakPolarHBondContact CD1-OD1 3.46Å; Y106-E111 VanDerWaalsContact CZ-C 3.4Å; Y106-E111 WeakPolarHBondContact OH-CA 3.48Å; Y106-E111 PolarHBondContact OH-O 2.87Å; Y106-L112 VanDerWaalsContact CD2-C 3.42Å; Y106-L112 WeakPolarHBondContact CD2-O 3.38Å; Y106-L112 VanDerWaalsContact CE2-C 3.48Å
107C95.6Very high92.1Very high1 Ų169.8 Ų69.81%0.00737%0.366CS..EExtended strand (participates in β ladder)trans-93.8114.8174.4-179.80000110.1V101 I102 L109 C110 E111 L112 I114 C128V101-C107 CarbonylContact O-C 3.6Å; V101-C107 WeakPolarHBondContact O-CA 3.37Å; I102-C107 HydrophobicContact CG1-CB 4.03Å; C107-L109 VanDerWaalsContact C-N 3.29Å; C107-L109 PolarHBondContact O-N 2.78Å; C107-C110 HydrophobicContact CB-CB 3.97Å; C107-C110 PolarHBondContact O-N 3.04Å; C107-C110 PolarHBondContact SG-N 2.97Å; C107-E111 VanDerWaalsContact O-CA 3.28Å; C107-E111 WeakPolarHBondContact O-CA 3.44Å; C107-E111 PolarHBondContact O-N 3.39Å; C107-L112 PolarHBondContact N-O 2.89Å; C107-L112 PolarHBondContact O-N 2.83Å; C107-I114 HydrophobicContact CB-CG2 4Å; C107-C128 WeakPolarHBondContact CB-SG 3.45Å; C107-C128 PolarHBondContact SG-SG 3.48Å
108N94.1Very high92.5Very high20 Ų2066.5 Ų66.511%0.10735%0.35CS..THydrogen-bonded Turntrans-71.5-21.4-178.8-64.1-47.6000113.2L94 H98 H100 V101 Y106L94-N108 HydrophobicContact CD1-CB 3.74Å; H98-N108 HydrophobicContact CB-CB 4.32Å; H98-N108 PolarHBondContact CE1-OD1 3.02Å; H98-N108 VanDerWaalsContact CG-ND2 3.35Å; H98-N108 PolarHBondContact ND1-ND2 3.44Å; H100-N108 PolarHBondContact O-ND2 3.01Å; V101-N108 PolarHBondContact O-N 2.95Å; Y106-N108 WeakPolarHBondContact CD1-OD1 3.46Å
109L92.7Very high93.1Very high25 Ų2563.6 Ų63.613%0.13134%0.336CS..THydrogen-bonded Turntrans-82.4-40.2172.4-76.5178.5000112.7V91 S92 L94 V101 C107 E111 H121V91-L109 VanDerWaalsContact CG1-O 3.27Å; V91-L109 WeakPolarHBondContact CG1-O 3.45Å; S92-L109 PolarHBondContact OG-O 2.95Å; L94-L109 HydrophobicContact CB-CD2 3.65Å; L94-L109 HydrophobicContact CB-CG 4.39Å; L94-L109 HydrophobicContact CD1-CD2 4.25Å; L94-L109 HydrophobicContact CD1-CG 4.18Å; V101-L109 HydrophobicContact CB-CD1 4.42Å; V101-L109 HydrophobicContact CG1-CB 4.16Å; V101-L109 HydrophobicContact CG1-CD1 3.59Å; V101-L109 HydrophobicContact CG1-CG 3.87Å; V101-L109 HydrophobicContact CG2-CD1 3.92Å; V101-L109 HydrophobicContact CG2-CG 4.47Å; C107-L109 VanDerWaalsContact C-N 3.29Å; C107-L109 PolarHBondContact O-N 2.78Å; L109-E111 VanDerWaalsContact C-N 3.33Å; L109-H121 WeakPolarHBondContact CD1-NE2 3.49Å
110C93.4Very high93.7Very high10 Ų1060.6 Ų60.67%0.06831%0.313CS..THydrogen-bonded Turntrans-81.3-18.2177.4-68.40000112.2V80 K83 C107 L112 H121 C128V80-C110 HydrophobicContact CG2-CB 4.3Å; K83-C110 PolarHBondContact NZ-O 3.45Å; C107-C110 HydrophobicContact CB-CB 3.97Å; C107-C110 PolarHBondContact O-N 3.04Å; C107-C110 PolarHBondContact SG-N 2.97Å; C110-L112 VanDerWaalsContact C-N 3.29Å; C110-L112 HydrophobicContact CB-CB 4.34Å; C110-L112 HydrophobicContact CB-CD1 4.39Å; C110-L112 WeakPolarHBondContact O-CG 3.31Å; C110-L112 PolarHBondContact O-N 3.47Å; C110-H121 VanDerWaalsContact SG-CE1 3.58Å; C110-H121 PolarHBondContact SG-ND1 3.19Å; C110-H121 VanDerWaalsContact SG-ND1 3.4Å; C110-C128 PolarHBondContact SG-N 3.24Å; C110-C128 VanDerWaalsContact SG-SG 3.7Å
111E93.5Very high94.1Very high88 Ų8856.3 Ų56.341%0.41129%0.293SS..THydrogen-bonded Turntrans52.447.5-171.4-55.4160.1169.300111.5K83 S92 Y106 C107 L109K83-E111 IonicContact NZ-OE2 3.02Å; K83-E111 PolarHBondContact NZ-OE2 3.39Å; S92-E111 WeakPolarHBondContact CB-OE1 3.32Å; S92-E111 PolarHBondContact OG-OE1 3.15Å; Y106-E111 VanDerWaalsContact CZ-C 3.4Å; Y106-E111 WeakPolarHBondContact OH-CA 3.48Å; Y106-E111 PolarHBondContact OH-O 2.87Å; C107-E111 VanDerWaalsContact O-CA 3.28Å; C107-E111 WeakPolarHBondContact O-CA 3.44Å; C107-E111 PolarHBondContact O-N 3.39Å; L109-E111 VanDerWaalsContact C-N 3.33Å
112L94.1Very high94.3Very high32 Ų3254.4 Ų54.417%0.16828%0.282CS..EExtended strand (participates in β ladder)trans-146.1147.5-175.6-71.2169.5000110.3A79 V80 K83 Y106 C107 C110A79-L112 HydrophobicContact CB-CB 4.42Å; A79-L112 HydrophobicContact CB-CD1 4.18Å; A79-L112 HydrophobicContact CB-CD2 4.38Å; A79-L112 WeakPolarHBondContact O-CD1 3.49Å; V80-L112 HydrophobicContact CB-CD1 4.32Å; V80-L112 HydrophobicContact CG2-CD1 3.83Å; K83-L112 HydrophobicContact CB-CD1 3.87Å; K83-L112 HydrophobicContact CD-CD1 3.71Å; K83-L112 HydrophobicContact CD-CD2 4.35Å; K83-L112 HydrophobicContact CD-CG 4.04Å; K83-L112 HydrophobicContact CG-CD1 4.41Å; Y106-L112 VanDerWaalsContact CD2-C 3.42Å; Y106-L112 WeakPolarHBondContact CD2-O 3.38Å; Y106-L112 VanDerWaalsContact CE2-C 3.48Å; C107-L112 PolarHBondContact N-O 2.89Å; C107-L112 PolarHBondContact O-N 2.83Å; C110-L112 VanDerWaalsContact C-N 3.29Å; C110-L112 HydrophobicContact CB-CB 4.34Å; C110-L112 HydrophobicContact CB-CD1 4.39Å; C110-L112 WeakPolarHBondContact O-CG 3.31Å; C110-L112 PolarHBondContact O-N 3.47Å
113P95.3Very high94.4Very high82 Ų8261.4 Ų61.453%0.53231%0.311SS..EExtended strand (participates in β ladder)trans-61.9146.116629.1-34.1000109.9F105F105-P113 CarbonylContact O-C 3.57Å; F105-P113 WeakPolarHBondContact O-CA 3.39Å
114I94.9Very high94.6Very high19 Ų1962.4 Ų62.410%0.09732%0.324CS..  trans-92.4145174.275.3-173.9000109.5I102 F105 C107 S116 T119I102-I114 HydrophobicContact CD1-CG2 4.36Å; I102-I114 HydrophobicContact CG2-CD1 3.69Å; I102-I114 HydrophobicContact CG2-CG2 4.48Å; F105-I114 HydrophobicContact CB-CD1 4.36Å; F105-I114 HydrophobicContact CB-CG1 4.01Å; F105-I114 HydrophobicContact CD1-CD1 4.02Å; F105-I114 HydrophobicContact CD1-CG1 3.9Å; F105-I114 HydrophobicContact CG-CD1 4.48Å; F105-I114 HydrophobicContact CG-CG1 4.39Å; F105-I114 WeakPolarHBondContact O-CG1 3.31Å; F105-I114 PolarHBondContact O-N 2.94Å; C107-I114 HydrophobicContact CB-CG2 4Å; I114-S116 VanDerWaalsContact C-N 3.34Å; I114-S116 VanDerWaalsContact CD1-O 3.29Å; I114-S116 WeakPolarHBondContact CD1-O 3.35Å; I114-S116 WeakPolarHBondContact CG1-O 3.3Å; I114-S116 PolarHBondContact O-N 2.86Å; I114-T119 HydrophobicContact CB-CG2 3.77Å; I114-T119 HydrophobicContact CG2-CG2 4.07Å
115S93.8Very high94.8Very high75 Ų7554.7 Ų54.752%0.52428%0.283SS..SBendtrans-70.6-23.8-178.256.90000115D77 T119D77-S115 VanDerWaalsContact OD2-CB 3.27Å; D77-S115 WeakPolarHBondContact OD2-CB 3.47Å; D77-S115 PolarHBondContact OD2-N 3.29Å; D77-S115 PolarHBondContact OD2-OG 3.34Å; S115-T119 PolarHBondContact OG-OG1 3.39Å; S115-T119 VanDerWaalsContact OG-OG1 3.07Å
116S94.6Very high94.9Very high29 Ų2949.8 Ų49.820%0.20326%0.262CS..SBendtrans-160.5168.1-17769.10000112.6I114 R118 T119I114-S116 VanDerWaalsContact C-N 3.34Å; I114-S116 VanDerWaalsContact CD1-O 3.29Å; I114-S116 WeakPolarHBondContact CD1-O 3.35Å; I114-S116 WeakPolarHBondContact CG1-O 3.3Å; I114-S116 PolarHBondContact O-N 2.86Å; S116-R118 PolarHBondContact O-N 3.41Å; S116-R118 PolarHBondContact OG-N 2.93Å; S116-T119 WeakPolarHBondContact O-CB 3.17Å; S116-T119 PolarHBondContact O-N 3.42Å; S116-T119 VanDerWaalsContact O-N 3.09Å; S116-T119 PolarHBondContact OG-N 3.41Å; S116-T119 PolarHBondContact OG-OG1 3.28Å
117S94Very high94.9Very high79 Ų7945.5 Ų45.555%0.55225%0.245SC*.THydrogen-bonded Turntrans-63.9-21.9172610000113K120S117-K120 WeakPolarHBondContact O-CE 3.3Å; S117-K120 PolarHBondContact O-NZ 2.88Å
118R94.8Very high95Very high103 Ų10345.6 Ų45.639%0.38925%0.246SC..THydrogen-bonded Turntrans-86-5.9175.6-70-172.4164.5174.3-1.2113.6S116 N131 F132 G258 E263S116-R118 PolarHBondContact O-N 3.41Å; S116-R118 PolarHBondContact OG-N 2.93Å; R118-N131 WeakPolarHBondContact CB-OD1 3.5Å; R118-F132 PolarHBondContact O-N 2.7Å; R118-G258 PolarHBondContact NH2-O 2.94Å; R118-E263 IonicContact NE-OE1 3.68Å; R118-E263 PolarHBondContact NE-OE1 3.33Å; R118-E263 IonicContact NH2-OE2 2.85Å
119T97Very high95.2Very high0 Ų044.6 Ų44.60%024%0.241CC..  trans-73.3130.5170.1-64.90000110.1D77 I114 S115 S116 C128 I129D77-T119 HydrophobicContact CB-CG2 4.39Å; D77-T119 WeakPolarHBondContact OD2-CG2 3.34Å; D77-T119 PolarHBondContact OD2-OG1 3.42Å; I114-T119 HydrophobicContact CB-CG2 3.77Å; I114-T119 HydrophobicContact CG2-CG2 4.07Å; S115-T119 PolarHBondContact OG-OG1 3.39Å; S115-T119 VanDerWaalsContact OG-OG1 3.07Å; S116-T119 WeakPolarHBondContact O-CB 3.17Å; S116-T119 PolarHBondContact O-N 3.42Å; S116-T119 VanDerWaalsContact O-N 3.09Å; S116-T119 PolarHBondContact OG-N 3.41Å; S116-T119 PolarHBondContact OG-OG1 3.28Å; T119-C128 HydrophobicContact CG2-CB 3.83Å; T119-I129 WeakPolarHBondContact CA-O 3.4Å
120K97Very high95.4Very high58 Ų5844 Ų4425%0.25224%0.239SC..EExtended strand (participates in β ladder)trans-131.6147.9178.9-53.3-65.2165.2-162.20110.9S117 C128 I129 F132 Y262S117-K120 WeakPolarHBondContact O-CE 3.3Å; S117-K120 PolarHBondContact O-NZ 2.88Å; K120-C128 WeakPolarHBondContact O-CA 3.45Å; K120-I129 PolarHBondContact N-O 3.45Å; K120-I129 PolarHBondContact O-N 3.31Å; K120-F132 HydrophobicContact CB-CB 3.76Å; K120-F132 HydrophobicContact CB-CD1 3.85Å; K120-F132 HydrophobicContact CB-CG 3.89Å; K120-F132 HydrophobicContact CG-CB 3.88Å; K120-F132 HydrophobicContact CG-CD1 4.03Å; K120-F132 HydrophobicContact CG-CG 4.28Å; K120-Y262 HydrophobicContact CD-CD1 4.45Å; K120-Y262 HydrophobicContact CD-CE1 3.8Å; K120-Y262 HydrophobicContact CG-CD1 4.19Å; K120-Y262 HydrophobicContact CG-CE1 3.97Å
121H97.2Very high95.5Very high32 Ų3246.9 Ų46.915%0.14825%0.254CS..EExtended strand (participates in β ladder)trans-83.6115.8173-168.288.4000110.2V101 I102 L109 C110 K123 N126 K127V101-H121 HydrophobicContact CG1-CB 3.7Å; I102-H121 HydrophobicContact CD1-CB 4.29Å; L109-H121 WeakPolarHBondContact CD1-NE2 3.49Å; C110-H121 VanDerWaalsContact SG-CE1 3.58Å; C110-H121 PolarHBondContact SG-ND1 3.19Å; C110-H121 VanDerWaalsContact SG-ND1 3.4Å; H121-K123 PolarHBondContact O-N 3.3Å; H121-N126 PolarHBondContact NE2-OD1 3.49Å; H121-K127 PolarHBondContact CE1-N 3.38Å
122C96.9Very high95.8Very high8 Ų843.7 Ų43.75%0.05424%0.239CC..EExtended strand (participates in β ladder)trans-83.3116173.3179.20000109.7S124 C125 N126 K127 I129 F132 C142C122-S124 VanDerWaalsContact C-N 3.32Å; C122-S124 PolarHBondContact O-N 3.41Å; C122-C125 HydrophobicContact CB-CB 4.17Å; C122-C125 PolarHBondContact O-N 2.97Å; C122-C125 PolarHBondContact SG-N 3.3Å; C122-N126 VanDerWaalsContact O-CA 3.28Å; C122-N126 WeakPolarHBondContact O-CA 3.29Å; C122-N126 PolarHBondContact O-N 3.5Å; C122-K127 PolarHBondContact N-O 3.04Å; C122-K127 PolarHBondContact O-N 3.26Å; C122-I129 HydrophobicContact CB-CG1 4.24Å; C122-F132 HydrophobicContact CB-CE2 4.11Å; C122-C142 VanDerWaalsContact CB-SG 3.54Å; C122-C142 PolarHBondContact SG-SG 3.42Å
123K94.2Very high96Very high194 Ų19442.4 Ų42.484%0.84323%0.232SC*.THydrogen-bonded Turntrans-57.4-42.2175.5-174.3177.6178.91790112.4H121 N126H121-K123 PolarHBondContact O-N 3.3Å; K123-N126 PolarHBondContact O-N 3.34Å
124S93.8Very high96.1Very high77 Ų7740.2 Ų40.254%0.53822%0.215SC..THydrogen-bonded Turntrans-68.2-35.9-177.6-51.90000113.7C122C122-S124 VanDerWaalsContact C-N 3.32Å; C122-S124 PolarHBondContact O-N 3.41Å
125C95.6Very high96.2Very high1 Ų141.1 Ų41.11%0.00722%0.219CC..THydrogen-bonded Turntrans-89.5-12.5174.7-69.70000113.6S9 R10 C122 K127 H135 C142S9-C125 WeakPolarHBondContact CA-O 3.38Å; R10-C125 HydrophobicContact CB-CB 4.3Å; R10-C125 PolarHBondContact N-O 2.92Å; C122-C125 HydrophobicContact CB-CB 4.17Å; C122-C125 PolarHBondContact O-N 2.97Å; C122-C125 PolarHBondContact SG-N 3.3Å; C125-K127 VanDerWaalsContact C-N 3.33Å; C125-K127 HydrophobicContact CB-CD 4.18Å; C125-K127 HydrophobicContact CB-CG 3.94Å; C125-K127 PolarHBondContact O-N 2.88Å; C125-H135 PolarHBondContact SG-CE1 3.47Å; C125-H135 PolarHBondContact SG-ND1 3.2Å; C125-C142 PolarHBondContact SG-SG 3.34Å
126N95.4Very high96.4Very high21 Ų2138.1 Ų38.111%0.11220%0.197CC..THydrogen-bonded Turntrans50.746.6-173-159.319000113.5S7 S9 V91 H121 C122 K123S7-N126 PolarHBondContact OG-ND2 2.95Å; S9-N126 WeakPolarHBondContact CB-O 3.44Å; V91-N126 VanDerWaalsContact CB-ND2 3.28Å; V91-N126 WeakPolarHBondContact CB-ND2 3.31Å; V91-N126 HydrophobicContact CG2-CB 4.4Å; V91-N126 WeakPolarHBondContact CG2-ND2 3.19Å; V91-N126 WeakPolarHBondContact CG2-O 3.33Å; H121-N126 PolarHBondContact NE2-OD1 3.49Å; C122-N126 VanDerWaalsContact O-CA 3.28Å; C122-N126 WeakPolarHBondContact O-CA 3.29Å; C122-N126 PolarHBondContact O-N 3.5Å; K123-N126 PolarHBondContact O-N 3.34Å
127K95.7Very high96.6Very high1 Ų142.2 Ų42.20%0.00421%0.211CC..EExtended strand (participates in β ladder)trans-157.5157.3-179.872.4-165.1-174.6-179.60112.7R10 I11 N74 A76 V80 H121 C122 C125 I129R10-K127 WeakPolarHBondContact O-CD 3.22Å; R10-K127 WeakPolarHBondContact O-CE 3.29Å; R10-K127 PolarHBondContact O-NZ 3.18Å; I11-K127 PolarHBondContact O-NZ 3.45Å; N74-K127 PolarHBondContact OD1-NZ 3.48Å; A76-K127 HydrophobicContact CB-CD 3.89Å; A76-K127 HydrophobicContact CB-CG 4.32Å; V80-K127 HydrophobicContact CG1-CB 4.15Å; H121-K127 PolarHBondContact CE1-N 3.38Å; C122-K127 PolarHBondContact N-O 3.04Å; C122-K127 PolarHBondContact O-N 3.26Å; C125-K127 VanDerWaalsContact C-N 3.33Å; C125-K127 HydrophobicContact CB-CD 4.18Å; C125-K127 HydrophobicContact CB-CG 3.94Å; C125-K127 PolarHBondContact O-N 2.88Å; K127-I129 HydrophobicContact CD-CD1 4.23Å; K127-I129 HydrophobicContact CG-CD1 3.71Å
128C97.7Very high96.8Very high3 Ų344.4 Ų44.42%0.0221%0.208CC..EExtended strand (participates in β ladder)trans-76.7137.7170.6-71.40000112A76 D77 V80 C107 C110 T119 K120A76-C128 VanDerWaalsContact CA-O 3.3Å; A76-C128 WeakPolarHBondContact CA-O 3.29Å; D77-C128 HydrophobicContact CB-CB 4.23Å; D77-C128 PolarHBondContact N-O 3.15Å; V80-C128 HydrophobicContact CG2-CB 4Å; C107-C128 WeakPolarHBondContact CB-SG 3.45Å; C107-C128 PolarHBondContact SG-SG 3.48Å; C110-C128 PolarHBondContact SG-N 3.24Å; C110-C128 VanDerWaalsContact SG-SG 3.7Å; T119-C128 HydrophobicContact CG2-CB 3.83Å; K120-C128 WeakPolarHBondContact O-CA 3.45Å
129I98.2Very high96.9Very high0 Ų039.8 Ų39.80%019%0.19CC..EExtended strand (participates in β ladder)trans-119.1124.8-179.1-52.1-59.7000108.2P75 T119 K120 C122 K127 F132 C142P75-I129 HydrophobicContact CB-CD1 4.35Å; P75-I129 HydrophobicContact CB-CG2 4.31Å; P75-I129 HydrophobicContact CG-CD1 3.94Å; P75-I129 WeakPolarHBondContact O-CG2 3.41Å; T119-I129 WeakPolarHBondContact CA-O 3.4Å; K120-I129 PolarHBondContact N-O 3.45Å; K120-I129 PolarHBondContact O-N 3.31Å; C122-I129 HydrophobicContact CB-CG1 4.24Å; K127-I129 HydrophobicContact CD-CD1 4.23Å; K127-I129 HydrophobicContact CG-CD1 3.71Å; I129-F132 HydrophobicContact CB-CB 4.21Å; I129-F132 HydrophobicContact CB-CD2 3.67Å; I129-F132 HydrophobicContact CB-CG 4.4Å; I129-F132 HydrophobicContact CG1-CD2 3.87Å; I129-F132 HydrophobicContact CG1-CE2 4.31Å; I129-F132 HydrophobicContact CG2-CB 4.36Å; I129-F132 HydrophobicContact CG2-CD2 3.86Å; I129-C142 HydrophobicContact CD1-CB 3.69Å; I129-C142 HydrophobicContact CG1-CB 3.73Å; I129-C142 HydrophobicContact CG2-CB 4.22Å
130A96.8Very high96.9Very high12 Ų1240 Ų4010%0.09919%0.191CC..THydrogen-bonded Turntrans-73.4130.9178.300000111.4D77 S145D77-A130 HydrophobicContact CB-CB 4.43Å; A130-S145 PolarHBondContact O-N 3.07Å; A130-S145 VanDerWaalsContact O-N 3.14Å; A130-S145 PolarHBondContact O-OG 2.89Å
131N96Very high97Very high71 Ų7137.2 Ų37.238%0.3818%0.18SC..THydrogen-bonded Turntrans47.863.6-171.3-63.5-28.2000111.4R118 D133 G144R118-N131 WeakPolarHBondContact CB-OD1 3.5Å; N131-D133 PolarHBondContact O-N 3.46Å; N131-G144 VanDerWaalsContact O-CA 3.31Å; N131-G144 WeakPolarHBondContact O-CA 3.32Å
132F98Very high97Very high20 Ų2035.7 Ų35.79%0.08817%0.173CC..  trans-66.7126.8-173.4178.9-104.3000111.7R118 K120 C122 I129 C142 T260 Y262R118-F132 PolarHBondContact O-N 2.7Å; K120-F132 HydrophobicContact CB-CB 3.76Å; K120-F132 HydrophobicContact CB-CD1 3.85Å; K120-F132 HydrophobicContact CB-CG 3.89Å; K120-F132 HydrophobicContact CG-CB 3.88Å; K120-F132 HydrophobicContact CG-CD1 4.03Å; K120-F132 HydrophobicContact CG-CG 4.28Å; C122-F132 HydrophobicContact CB-CE2 4.11Å; I129-F132 HydrophobicContact CB-CB 4.21Å; I129-F132 HydrophobicContact CB-CD2 3.67Å; I129-F132 HydrophobicContact CB-CG 4.4Å; I129-F132 HydrophobicContact CG1-CD2 3.87Å; I129-F132 HydrophobicContact CG1-CE2 4.31Å; I129-F132 HydrophobicContact CG2-CB 4.36Å; I129-F132 HydrophobicContact CG2-CD2 3.86Å; F132-C142 HydrophobicContact CE2-CB 4.36Å; F132-T260 PolarHBondContact O-OG1 3.38Å; F132-Y262 AromaticContact CD1-CD2 3.97Å; F132-Y262 HydrophobicContact CD1-CD2 3.97Å; F132-Y262 AromaticContact CD1-CG 3.89Å; F132-Y262 HydrophobicContact CD1-CG 3.89Å; F132-Y262 AromaticContact CE1-CD2 3.74Å; F132-Y262 HydrophobicContact CE1-CD2 3.74Å; F132-Y262 HydrophobicContact CE1-CG 4.07Å
133D98Very high97.1Very high5 Ų535.3 Ų35.33%0.02717%0.17CC..  trans-100.8-64.3174.2-172.562.3000111.1N131 I143 Y148 H251 T260 T261 Y262N131-D133 PolarHBondContact O-N 3.46Å; D133-I143 HydrophobicContact CB-CB 4.41Å; D133-I143 HydrophobicContact CB-CG2 4.14Å; D133-I143 PolarHBondContact N-O 2.69Å; D133-Y148 HydrophobicContact CB-CD2 4.31Å; D133-Y148 HydrophobicContact CB-CE2 4.35Å; D133-H251 IonicContact OD2-CE1 3.01Å; D133-T260 WeakPolarHBondContact OD1-CB 3.29Å; D133-T261 WeakPolarHBondContact OD1-CB 3.26Å; D133-T261 PolarHBondContact OD1-N 3.34Å; D133-T261 PolarHBondContact OD1-OG1 3.13Å; D133-T261 PolarHBondContact OD2-OG1 3.16Å; D133-Y262 VanDerWaalsContact O-CB 3.31Å; D133-Y262 WeakPolarHBondContact O-CB 3.43Å; D133-Y262 PolarHBondContact O-N 3.47Å
134H97.8Very high97.3Very high36 Ų3626.1 Ų26.117%0.16713%0.13CC..EExtended strand (participates in β ladder)trans-160.5172.7175.267.1-81.9000112.1C136 I143 F151 T261H134-C136 WeakPolarHBondContact NE2-CB 3.35Å; H134-I143 PolarHBondContact N-O 3.15Å; H134-I143 PolarHBondContact O-N 3.43Å; H134-F151 AromaticContact CE1-CE1 3.92Å; H134-F151 AromaticContact CE1-CZ 3.65Å; H134-T261 HydrophobicContact CB-CG2 4.39Å
135H98.1Very high97.4Very high39 Ų3925.2 Ų25.218%0.18112%0.124CC..EExtended strand (participates in β ladder)trans-99.7111.5167.3179.286.2000109.5C125 K137 C142C125-H135 PolarHBondContact SG-CE1 3.47Å; C125-H135 PolarHBondContact SG-ND1 3.2Å; H135-K137 PolarHBondContact O-N 3.4Å; H135-C142 PolarHBondContact ND1-SG 2.88Å; H135-C142 VanDerWaalsContact ND1-SG 3.42Å
136C98.2Very high97.5Very high11 Ų1130.3 Ų30.37%0.07414%0.143CC..EExtended strand (participates in β ladder)trans-89.1109.4-177.4-1740000110.6H134 W138 L139 N140 N141 I143H134-C136 WeakPolarHBondContact NE2-CB 3.35Å; C136-W138 VanDerWaalsContact C-N 3.28Å; C136-W138 PolarHBondContact O-N 2.94Å; C136-L139 HydrophobicContact CB-CB 4.26Å; C136-L139 HydrophobicContact CB-CD1 4.36Å; C136-L139 HydrophobicContact CB-CG 4.39Å; C136-L139 PolarHBondContact O-N 3.46Å; C136-N140 PolarHBondContact O-N 3.25Å; C136-N141 PolarHBondContact N-O 3.46Å; C136-N141 PolarHBondContact O-N 3.42Å; C136-I143 HydrophobicContact CB-CD1 4.39Å; C136-I143 HydrophobicContact CB-CG1 4Å
137K97.6Very high97.7Very high115 Ų11529.3 Ų29.350%0.514%0.138SC..THydrogen-bonded Turntrans-65.8-29.7178-64.1180-179.5-179.70113.1L21 H135 L139 N140L21-K137 HydrophobicContact CD1-CB 3.84Å; L21-K137 HydrophobicContact CD1-CD 4.17Å; H135-K137 PolarHBondContact O-N 3.4Å; K137-L139 VanDerWaalsContact C-N 3.27Å; K137-L139 PolarHBondContact O-N 3.49Å; K137-N140 PolarHBondContact O-N 3.01Å
138W97.8Very high97.8Very high126 Ų12632.4 Ų32.448%0.47715%0.15SC..THydrogen-bonded Turntrans-68.3-26.4176.9-61.1101.8000112.7L21 Q22 L24 C136L21-W138 HydrophobicContact CB-CD2 4.05Å; L21-W138 HydrophobicContact CB-CE3 3.85Å; L21-W138 HydrophobicContact CB-CZ3 4.2Å; L21-W138 HydrophobicContact CD2-CH2 3.89Å; L21-W138 HydrophobicContact CD2-CZ2 4.17Å; L21-W138 HydrophobicContact CD2-CZ3 4.07Å; Q22-W138 WeakPolarHBondContact CA-O 3.3Å; Q22-W138 WeakPolarHBondContact CB-O 3.48Å; L24-W138 HydrophobicContact CB-CZ3 4.41Å; L24-W138 HydrophobicContact CD2-CH2 4.17Å; L24-W138 HydrophobicContact CD2-CZ3 4.08Å; L24-W138 HydrophobicContact CG-CZ3 4.28Å; C136-W138 VanDerWaalsContact C-N 3.28Å; C136-W138 PolarHBondContact O-N 2.94Å
139L97.9Very high97.8Very high5 Ų536.9 Ų36.93%0.02618%0.177CC..THydrogen-bonded Turntrans-104-3.8175.8-59.2177.3000112.7G13 N67 A70 V71 C136 K137 N141 I143 F151 I154G13-L139 WeakPolarHBondContact CA-O 3.37Å; N67-L139 WeakPolarHBondContact ND2-CD2 3.15Å; A70-L139 HydrophobicContact CB-CD1 4.43Å; V71-L139 HydrophobicContact CG2-CB 4.16Å; V71-L139 HydrophobicContact CG2-CD2 3.91Å; C136-L139 HydrophobicContact CB-CB 4.26Å; C136-L139 HydrophobicContact CB-CD1 4.36Å; C136-L139 HydrophobicContact CB-CG 4.39Å; C136-L139 PolarHBondContact O-N 3.46Å; K137-L139 VanDerWaalsContact C-N 3.27Å; K137-L139 PolarHBondContact O-N 3.49Å; L139-N141 HydrophobicContact CB-CB 4.43Å; L139-N141 PolarHBondContact O-N 3.39Å; L139-I143 HydrophobicContact CD1-CD1 3.85Å; L139-F151 HydrophobicContact CD1-CD2 4.05Å; L139-I154 HydrophobicContact CD1-CD1 4.04Å; L139-I154 HydrophobicContact CD2-CD1 3.98Å
140N97.6Very high97.8Very high4 Ų440.6 Ų40.62%0.02119%0.192CC..THydrogen-bonded Turntrans50.628.1-172.8-167.928.6000113.3R10 G13 S15 P17 H19 Q22 C136 K137R10-N140 PolarHBondContact NH1-ND2 3.3Å; R10-N140 VanDerWaalsContact NH1-ND2 3.13Å; R10-N140 PolarHBondContact NH1-OD1 3.43Å; G13-N140 WeakPolarHBondContact CA-O 3.47Å; G13-N140 PolarHBondContact O-ND2 3.43Å; G13-N140 VanDerWaalsContact O-ND2 3.07Å; S15-N140 PolarHBondContact O-ND2 3.43Å; P17-N140 PolarHBondContact O-ND2 3.37Å; H19-N140 HydrophobicContact CB-CB 4.14Å; Q22-N140 HydrophobicContact CB-CB 4.41Å; Q22-N140 PolarHBondContact OE1-ND2 2.56Å; C136-N140 PolarHBondContact O-N 3.25Å; K137-N140 PolarHBondContact O-N 3.01Å
141N98Very high97.9Very high1 Ų140.5 Ų40.51%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-142.5156.8-171.6-155.98.8000110.6A70 V71 I73 P75 C136 L139A70-N141 PolarHBondContact O-ND2 3.2Å; V71-N141 PolarHBondContact O-ND2 3.34Å; I73-N141 PolarHBondContact O-ND2 2.99Å; P75-N141 VanDerWaalsContact CD-OD1 3.27Å; P75-N141 WeakPolarHBondContact CD-OD1 3.39Å; P75-N141 VanDerWaalsContact CG-OD1 3.3Å; P75-N141 WeakPolarHBondContact CG-OD1 3.04Å; C136-N141 PolarHBondContact N-O 3.46Å; C136-N141 PolarHBondContact O-N 3.42Å; L139-N141 HydrophobicContact CB-CB 4.43Å; L139-N141 PolarHBondContact O-N 3.39Å
142C98.6Very high98Very high0 Ų038.6 Ų38.60%018%0.184CC..EExtended strand (participates in β ladder)trans-77146.1169.6-75.60000111.1P75 C122 C125 I129 F132 H135 N147P75-C142 HydrophobicContact CB-CB 4.4Å; P75-C142 WeakPolarHBondContact CB-O 3.41Å; P75-C142 HydrophobicContact CG-CB 3.83Å; P75-C142 WeakPolarHBondContact CG-O 3.33Å; C122-C142 VanDerWaalsContact CB-SG 3.54Å; C122-C142 PolarHBondContact SG-SG 3.42Å; C125-C142 PolarHBondContact SG-SG 3.34Å; I129-C142 HydrophobicContact CD1-CB 3.69Å; I129-C142 HydrophobicContact CG1-CB 3.73Å; I129-C142 HydrophobicContact CG2-CB 4.22Å; F132-C142 HydrophobicContact CE2-CB 4.36Å; H135-C142 PolarHBondContact ND1-SG 2.88Å; H135-C142 VanDerWaalsContact ND1-SG 3.42Å; C142-N147 PolarHBondContact O-ND2 3.46Å; C142-N147 PolarHBondContact O-OD1 3.2Å
143I98.6Very high98Very high0 Ų038.2 Ų38.20%019%0.185CC..EExtended strand (participates in β ladder)trans-97.9125.2166.5-56.6-49.6000108D133 H134 C136 L139 N147 Y148 F151D133-I143 HydrophobicContact CB-CB 4.41Å; D133-I143 HydrophobicContact CB-CG2 4.14Å; D133-I143 PolarHBondContact N-O 2.69Å; H134-I143 PolarHBondContact N-O 3.15Å; H134-I143 PolarHBondContact O-N 3.43Å; C136-I143 HydrophobicContact CB-CD1 4.39Å; C136-I143 HydrophobicContact CB-CG1 4Å; L139-I143 HydrophobicContact CD1-CD1 3.85Å; I143-N147 WeakPolarHBondContact CA-OD1 3.33Å; I143-Y148 HydrophobicContact CG2-CD2 3.7Å; I143-Y148 HydrophobicContact CG2-CE2 4.48Å; I143-Y148 HydrophobicContact CG2-CG 4.4Å; I143-F151 HydrophobicContact CD1-CB 3.8Å; I143-F151 HydrophobicContact CD1-CD2 3.97Å; I143-F151 HydrophobicContact CD1-CG 3.98Å; I143-F151 HydrophobicContact CG1-CB 4.32Å; I143-F151 HydrophobicContact CG1-CD2 4.02Å; I143-F151 HydrophobicContact CG1-CG 4.03Å; I143-F151 HydrophobicContact CG2-CB 4.19Å; I143-F151 HydrophobicContact CG2-CD1 4.14Å; I143-F151 HydrophobicContact CG2-CG 4.17Å
144G97.7Very high98.1Very high1 Ų138.6 Ų38.61%0.0119%0.187CC..SBendtrans-153.3-167.9173.500000110.5N131 R146 N147 Y148N131-G144 VanDerWaalsContact O-CA 3.31Å; N131-G144 WeakPolarHBondContact O-CA 3.32Å; G144-R146 PolarHBondContact O-N 3.49Å; G144-N147 PolarHBondContact N-OD1 3.4Å; G144-N147 PolarHBondContact O-N 2.96Å; G144-N147 VanDerWaalsContact O-N 3.11Å; G144-N147 PolarHBondContact O-OD1 2.94Å; G144-Y148 WeakPolarHBondContact O-CB 3.4Å; G144-Y148 PolarHBondContact O-N 3.06Å
145S96.7Very high98.1Very high58 Ų5837.5 Ų37.541%0.40618%0.182SC..THydrogen-bonded Turntrans-46.3-41.3-175.847.10000115A130 N147A130-S145 PolarHBondContact O-N 3.07Å; A130-S145 VanDerWaalsContact O-N 3.14Å; A130-S145 PolarHBondContact O-OG 2.89Å; S145-N147 PolarHBondContact O-N 3.21Å
146R97.9Very high98.1Very high107 Ų10738.7 Ų38.740%0.40419%0.192SC..THydrogen-bonded Turntrans-74.2-20.5-173.7-67.5179.460.883.23.9114.9I73 N74 R81 G144I73-R146 HydrophobicContact CG2-CB 3.9Å; N74-R146 WeakPolarHBondContact O-CD 3.46Å; N74-R146 PolarHBondContact O-NE 3.36Å; N74-R146 VanDerWaalsContact O-NE 3.12Å; R81-R146 VanDerWaalsContact CZ-CZ 3.48Å; G144-R146 PolarHBondContact O-N 3.49Å
147N98.4Very high98.1Very high0 Ų040.2 Ų40.20%020%0.199CC..THydrogen-bonded Turntrans-134.95.3-174.866.5-18.7000114.7A70 I73 C142 I143 G144 S145 T149 Y150 F151A70-N147 PolarHBondContact O-ND2 3.35Å; I73-N147 HydrophobicContact CB-CB 4.23Å; I73-N147 HydrophobicContact CD1-CB 4.24Å; I73-N147 HydrophobicContact CG2-CB 4.05Å; C142-N147 PolarHBondContact O-ND2 3.46Å; C142-N147 PolarHBondContact O-OD1 3.2Å; I143-N147 WeakPolarHBondContact CA-OD1 3.33Å; G144-N147 PolarHBondContact N-OD1 3.4Å; G144-N147 PolarHBondContact O-N 2.96Å; G144-N147 VanDerWaalsContact O-N 3.11Å; G144-N147 PolarHBondContact O-OD1 2.94Å; S145-N147 PolarHBondContact O-N 3.21Å; N147-T149 PolarHBondContact O-N 3.27Å; N147-Y150 PolarHBondContact O-N 2.92Å; N147-F151 PolarHBondContact O-N 3.01Å
148Y98.1Very high98.1Very high66 Ų6635.6 Ų35.626%0.25918%0.182SC..Hα-helixtrans-59.8-43.3179.5-170.3-84.6000112.8D133 I143 G144 Y150 F151 A152 H251D133-Y148 HydrophobicContact CB-CD2 4.31Å; D133-Y148 HydrophobicContact CB-CE2 4.35Å; I143-Y148 HydrophobicContact CG2-CD2 3.7Å; I143-Y148 HydrophobicContact CG2-CE2 4.48Å; I143-Y148 HydrophobicContact CG2-CG 4.4Å; G144-Y148 WeakPolarHBondContact O-CB 3.4Å; G144-Y148 PolarHBondContact O-N 3.06Å; Y148-Y150 VanDerWaalsContact C-N 3.32Å; Y148-Y150 PolarHBondContact O-N 2.71Å; Y148-F151 WeakPolarHBondContact O-CB 3.25Å; Y148-F151 PolarHBondContact O-N 3.4Å; Y148-F151 VanDerWaalsContact O-N 3.15Å; Y148-A152 PolarHBondContact O-N 3.07Å; Y148-H251 PolarHBondContact OH-ND1 3.47Å
149T97.8Very high98.2Very high98 Ų9830.3 Ų30.360%0.60116%0.164SC*.Hα-helixtrans-60.3-41.6179.950.70000112N147 A152 G153N147-T149 PolarHBondContact O-N 3.27Å; T149-A152 PolarHBondContact O-N 3.4Å; T149-G153 PolarHBondContact O-N 3.15Å
150Y98.6Very high98.2Very high77 Ų7733.9 Ų33.930%0.30218%0.183SC..Hα-helixtrans-69.7-38175.6-54.5-65.3000111.8F66 I69 I73 N147 Y148 G153 I154F66-Y150 AromaticContact CD1-CD1 3.85Å; F66-Y150 HydrophobicContact CD1-CD1 3.85Å; F66-Y150 HydrophobicContact CE1-CD1 4.31Å; I69-Y150 HydrophobicContact CB-CD1 4.25Å; I69-Y150 HydrophobicContact CB-CE1 4.49Å; I69-Y150 HydrophobicContact CB-CG 4.32Å; I69-Y150 HydrophobicContact CD1-CD1 4.35Å; I69-Y150 HydrophobicContact CD1-CE1 4.13Å; I69-Y150 HydrophobicContact CG2-CD1 3.75Å; I69-Y150 HydrophobicContact CG2-CD2 3.6Å; I69-Y150 HydrophobicContact CG2-CE1 3.71Å; I69-Y150 HydrophobicContact CG2-CE2 3.58Å; I69-Y150 HydrophobicContact CG2-CG 3.68Å; I73-Y150 HydrophobicContact CD1-CD2 3.57Å; I73-Y150 HydrophobicContact CD1-CE2 3.4Å; I73-Y150 VanDerWaalsContact CD1-CE2 3.4Å; N147-Y150 PolarHBondContact O-N 2.92Å; Y148-Y150 VanDerWaalsContact C-N 3.32Å; Y148-Y150 PolarHBondContact O-N 2.71Å; Y150-G153 PolarHBondContact O-N 3.21Å; Y150-I154 VanDerWaalsContact O-CG1 3.27Å; Y150-I154 WeakPolarHBondContact O-CG1 3.36Å; Y150-I154 PolarHBondContact O-N 2.94Å
151F98.5Very high98.3Very high10 Ų1034.2 Ų34.24%0.04419%0.186CC..Hα-helixtrans-59.3-44.6171.6167.8-100000112.2H134 L139 I143 N147 Y148 G153 I154 I155 H251H134-F151 AromaticContact CE1-CE1 3.92Å; H134-F151 AromaticContact CE1-CZ 3.65Å; L139-F151 HydrophobicContact CD1-CD2 4.05Å; I143-F151 HydrophobicContact CD1-CB 3.8Å; I143-F151 HydrophobicContact CD1-CD2 3.97Å; I143-F151 HydrophobicContact CD1-CG 3.98Å; I143-F151 HydrophobicContact CG1-CB 4.32Å; I143-F151 HydrophobicContact CG1-CD2 4.02Å; I143-F151 HydrophobicContact CG1-CG 4.03Å; I143-F151 HydrophobicContact CG2-CB 4.19Å; I143-F151 HydrophobicContact CG2-CD1 4.14Å; I143-F151 HydrophobicContact CG2-CG 4.17Å; N147-F151 PolarHBondContact O-N 3.01Å; Y148-F151 WeakPolarHBondContact O-CB 3.25Å; Y148-F151 PolarHBondContact O-N 3.4Å; Y148-F151 VanDerWaalsContact O-N 3.15Å; F151-G153 VanDerWaalsContact C-N 3.31Å; F151-G153 PolarHBondContact O-N 3.45Å; F151-I154 WeakPolarHBondContact O-CB 3.44Å; F151-I154 PolarHBondContact O-N 3.42Å; F151-I155 HydrophobicContact CE1-CD1 4.37Å; F151-I155 HydrophobicContact CE2-CG2 4.04Å; F151-I155 HydrophobicContact CZ-CG2 4.04Å; F151-I155 PolarHBondContact O-N 3.2Å; F151-I155 VanDerWaalsContact O-N 3.15Å; F151-H251 AromaticContact CE1-CE1 3.7Å; F151-H251 AromaticContact CE1-NE2 3.55Å; F151-H251 AromaticContact CZ-NE2 3.77Å
152A98.3Very high98.3Very high32 Ų3235 Ų3526%0.26419%0.189SC..Hα-helixtrans-61.3-40173.600000111.9Y148 T149 I155 T156Y148-A152 PolarHBondContact O-N 3.07Å; T149-A152 PolarHBondContact O-N 3.4Å; A152-I155 WeakPolarHBondContact O-CG1 3.44Å; A152-T156 WeakPolarHBondContact O-CB 3.2Å; A152-T156 PolarHBondContact O-N 2.87Å; A152-T156 VanDerWaalsContact O-N 3.07Å; A152-T156 PolarHBondContact O-OG1 3.4Å
153G98.5Very high98.2Very high11 Ų1136.7 Ų36.711%0.11320%0.202CC..Hα-helixtrans-60.9-42.4172.700000113.3T149 Y150 F151 T156 M157T149-G153 PolarHBondContact O-N 3.15Å; Y150-G153 PolarHBondContact O-N 3.21Å; F151-G153 VanDerWaalsContact C-N 3.31Å; F151-G153 PolarHBondContact O-N 3.45Å; G153-T156 PolarHBondContact O-N 2.9Å; G153-M157 WeakPolarHBondContact O-CB 3.47Å; G153-M157 VanDerWaalsContact O-CG 3.3Å; G153-M157 WeakPolarHBondContact O-CG 3.27Å; G153-M157 PolarHBondContact O-N 3.49Å
154I98.7Very high98.2Very high13 Ų1338.2 Ų38.27%0.06721%0.209CC..Hα-helixtrans-58.8-53.7177-69165000110.6Y63 F66 N67 A70 L139 Y150 F151 T156 A158Y63-I154 HydrophobicContact CD2-CG2 3.94Å; Y63-I154 HydrophobicContact CE2-CG2 3.56Å; F66-I154 HydrophobicContact CB-CG1 3.72Å; N67-I154 HydrophobicContact CB-CD1 4.28Å; N67-I154 HydrophobicContact CB-CG1 4.37Å; A70-I154 HydrophobicContact CB-CD1 3.64Å; L139-I154 HydrophobicContact CD1-CD1 4.04Å; L139-I154 HydrophobicContact CD2-CD1 3.98Å; Y150-I154 VanDerWaalsContact O-CG1 3.27Å; Y150-I154 WeakPolarHBondContact O-CG1 3.36Å; Y150-I154 PolarHBondContact O-N 2.94Å; F151-I154 WeakPolarHBondContact O-CB 3.44Å; F151-I154 PolarHBondContact O-N 3.42Å; I154-T156 VanDerWaalsContact C-N 3.3Å; I154-T156 PolarHBondContact O-N 3.38Å; I154-A158 VanDerWaalsContact O-CB 3.22Å; I154-A158 WeakPolarHBondContact O-CB 3.46Å; I154-A158 PolarHBondContact O-N 3.21Å
155I98.2Very high98.3Very high13 Ų1338.5 Ų38.57%0.06721%0.211CC..Hα-helixtrans-64.6-37.4-177.262.6177.1000111.4F151 A152 C159 L247 I248F151-I155 HydrophobicContact CE1-CD1 4.37Å; F151-I155 HydrophobicContact CE2-CG2 4.04Å; F151-I155 HydrophobicContact CZ-CG2 4.04Å; F151-I155 PolarHBondContact O-N 3.2Å; F151-I155 VanDerWaalsContact O-N 3.15Å; A152-I155 WeakPolarHBondContact O-CG1 3.44Å; I155-C159 VanDerWaalsContact O-CB 3.27Å; I155-C159 WeakPolarHBondContact O-CB 3.34Å; I155-C159 PolarHBondContact O-N 3.25Å; I155-L247 HydrophobicContact CG2-CD2 3.88Å; I155-I248 HydrophobicContact CB-CG1 4.32Å; I155-I248 HydrophobicContact CD1-CG1 3.87Å; I155-I248 HydrophobicContact CG1-CG1 4Å
156T98.4Very high98.3Very high65 Ų6536.4 Ų36.440%0.39920%0.196SC..Hα-helixtrans-70.2-47.5-178.8-53.50000111.7A152 G153 I154 C159 L160A152-T156 WeakPolarHBondContact O-CB 3.2Å; A152-T156 PolarHBondContact O-N 2.87Å; A152-T156 VanDerWaalsContact O-N 3.07Å; A152-T156 PolarHBondContact O-OG1 3.4Å; G153-T156 PolarHBondContact O-N 2.9Å; I154-T156 VanDerWaalsContact C-N 3.3Å; I154-T156 PolarHBondContact O-N 3.38Å; T156-C159 PolarHBondContact O-N 3.3Å; T156-L160 WeakPolarHBondContact O-CB 3.4Å; T156-L160 PolarHBondContact O-N 3Å
157M98.5Very high98.3Very high43 Ų4334.6 Ų34.621%0.21220%0.2CC..Hα-helixtrans-69.2-35.1179.4-66.3-61.4103.700112.2A62 F66 G153 L160 S161A62-M157 HydrophobicContact CB-CG 3.88Å; A62-M157 HydrophobicContact CB-SD 3.87Å; F66-M157 HydrophobicContact CD2-CG 3.93Å; F66-M157 HydrophobicContact CE2-CG 3.82Å; G153-M157 WeakPolarHBondContact O-CB 3.47Å; G153-M157 VanDerWaalsContact O-CG 3.3Å; G153-M157 WeakPolarHBondContact O-CG 3.27Å; G153-M157 PolarHBondContact O-N 3.49Å; M157-L160 HydrophobicContact CE-CD2 4.5Å; M157-S161 WeakPolarHBondContact O-CB 3.2Å; M157-S161 PolarHBondContact O-N 3.34Å
158A98.3Very high98.3Very high17 Ų1735.3 Ų35.314%0.1420%0.203CC..Hα-helixtrans-63.6-46.3173.200000111.7Y63 I154 S161 L162 L244Y63-A158 HydrophobicContact CD2-CB 3.8Å; Y63-A158 HydrophobicContact CE2-CB 3.86Å; I154-A158 VanDerWaalsContact O-CB 3.22Å; I154-A158 WeakPolarHBondContact O-CB 3.46Å; I154-A158 PolarHBondContact O-N 3.21Å; A158-S161 PolarHBondContact O-N 3.47Å; A158-L162 WeakPolarHBondContact O-CB 3.33Å; A158-L162 WeakPolarHBondContact O-CG 3.3Å; A158-L162 PolarHBondContact O-N 2.97Å; A158-L244 HydrophobicContact CB-CD1 3.81Å
159C98.4Very high98.3Very high15 Ų1532.2 Ų32.210%0.10119%0.192CC..Hα-helixtrans-60.1-51.1176-178.70000110.8I155 T156 S161 L162 S163 D241 L244 V245 I248I155-C159 VanDerWaalsContact O-CB 3.27Å; I155-C159 WeakPolarHBondContact O-CB 3.34Å; I155-C159 PolarHBondContact O-N 3.25Å; T156-C159 PolarHBondContact O-N 3.3Å; C159-S161 VanDerWaalsContact C-N 3.35Å; C159-S161 PolarHBondContact O-N 3.28Å; C159-L162 PolarHBondContact O-N 2.97Å; C159-L162 VanDerWaalsContact O-N 3.15Å; C159-S163 WeakPolarHBondContact O-CB 3.37Å; C159-S163 PolarHBondContact O-N 3.44Å; C159-S163 PolarHBondContact O-OG 3.33Å; C159-D241 WeakPolarHBondContact CA-OD1 3.3Å; C159-D241 PolarHBondContact SG-OD1 2.84Å; C159-L244 HydrophobicContact CB-CB 4.12Å; C159-L244 HydrophobicContact CB-CD1 4.4Å; C159-V245 VanDerWaalsContact SG-CG2 3.56Å; C159-I248 HydrophobicContact CB-CD1 3.59Å
160L98.5Very high98.3Very high80 Ų8031.9 Ų31.942%0.41919%0.186SC..Hα-helixtrans-57.5-45.1179-178.258.2000112.7C59 T156 M157 S163 I164C59-L160 VanDerWaalsContact SG-CD2 3.54Å; T156-L160 WeakPolarHBondContact O-CB 3.4Å; T156-L160 PolarHBondContact O-N 3Å; M157-L160 HydrophobicContact CE-CD2 4.5Å; L160-S163 PolarHBondContact O-N 2.9Å; L160-I164 HydrophobicContact CD1-CD1 4.27Å; L160-I164 HydrophobicContact CG-CD1 4.19Å; L160-I164 WeakPolarHBondContact O-CD1 3.27Å; L160-I164 VanDerWaalsContact O-CG1 3.25Å; L160-I164 WeakPolarHBondContact O-CG1 3.41Å; L160-I164 PolarHBondContact O-N 2.89Å
161S98.6Very high98.3Very high12 Ų1231.5 Ų31.58%0.08419%0.194CC..Hα-helixtrans-63.3-41.4177.7-177.70000112.6N56 I60 M157 A158 C159 S165N56-S161 VanDerWaalsContact OD1-CA 3.3Å; N56-S161 WeakPolarHBondContact OD1-CA 3.45Å; N56-S161 VanDerWaalsContact OD1-CB 3.3Å; N56-S161 WeakPolarHBondContact OD1-CB 3.5Å; N56-S161 PolarHBondContact OD1-OG 3.18Å; I60-S161 WeakPolarHBondContact CG1-OG 3.1Å; M157-S161 WeakPolarHBondContact O-CB 3.2Å; M157-S161 PolarHBondContact O-N 3.34Å; A158-S161 PolarHBondContact O-N 3.47Å; C159-S161 VanDerWaalsContact C-N 3.35Å; C159-S161 PolarHBondContact O-N 3.28Å; S161-S165 WeakPolarHBondContact O-CB 3.25Å; S161-S165 PolarHBondContact O-N 3.48Å; S161-S165 PolarHBondContact O-OG 3.01Å
162L98.2Very high98.2Very high16 Ų1631.2 Ų31.28%0.08419%0.193CC..Hα-helixtrans-71.6-40.6177.7-73173.5000111.9F32 A158 C159 I164 S165 T166 T237 I240 D241 L244F32-L162 HydrophobicContact CD2-CD2 4.49Å; F32-L162 HydrophobicContact CG-CD2 4.48Å; A158-L162 WeakPolarHBondContact O-CB 3.33Å; A158-L162 WeakPolarHBondContact O-CG 3.3Å; A158-L162 PolarHBondContact O-N 2.97Å; C159-L162 PolarHBondContact O-N 2.97Å; C159-L162 VanDerWaalsContact O-N 3.15Å; L162-I164 VanDerWaalsContact C-N 3.3Å; L162-I164 PolarHBondContact O-N 3.21Å; L162-S165 CarbonylContact O-C 3.57Å; L162-S165 WeakPolarHBondContact O-CA 3.39Å; L162-S165 WeakPolarHBondContact O-CB 3.41Å; L162-S165 PolarHBondContact O-N 3.36Å; L162-T166 WeakPolarHBondContact O-CB 3.47Å; L162-T166 PolarHBondContact O-N 3.29Å; L162-T166 PolarHBondContact O-OG1 3.17Å; L162-T166 VanDerWaalsContact O-OG1 3.13Å; L162-T237 HydrophobicContact CD2-CG2 4.06Å; L162-I240 HydrophobicContact CD1-CB 4.18Å; L162-I240 HydrophobicContact CD1-CG2 3.56Å; L162-D241 HydrophobicContact CB-CB 4.01Å; L162-L244 HydrophobicContact CD1-CD1 3.68Å
163S98.3Very high98.2Very high37 Ų3730.1 Ų30.126%0.25918%0.184SC..Hα-helixtrans-59.2-40.7174-58.50000111.8C159 L160 S167 D241C159-S163 WeakPolarHBondContact O-CB 3.37Å; C159-S163 PolarHBondContact O-N 3.44Å; C159-S163 PolarHBondContact O-OG 3.33Å; L160-S163 PolarHBondContact O-N 2.9Å; S163-S167 VanDerWaalsContact O-CB 3.25Å; S163-S167 WeakPolarHBondContact O-CB 3.49Å; S163-S167 PolarHBondContact O-N 3.4Å; S163-S167 PolarHBondContact O-OG 3.02Å; S163-D241 WeakPolarHBondContact CA-OD2 3.49Å; S163-D241 WeakPolarHBondContact CB-OD2 3.44Å; S163-D241 PolarHBondContact N-OD2 2.83Å; S163-D241 PolarHBondContact OG-OD1 2.97Å; S163-D241 PolarHBondContact OG-OD2 2.91Å
164I98.4Very high98.1Very high32 Ų3234.3 Ų34.316%0.16420%0.203CC..Hα-helixtrans-61.9-46172.2-68.1162.6000110.4Y36 I55 N56 L160 L162 S167 L168Y36-I164 HydrophobicContact CE2-CG2 4.03Å; Y36-I164 WeakPolarHBondContact OH-CG2 3.38Å; I55-I164 HydrophobicContact CG2-CD1 3.83Å; N56-I164 HydrophobicContact CB-CG2 4.38Å; L160-I164 HydrophobicContact CD1-CD1 4.27Å; L160-I164 HydrophobicContact CG-CD1 4.19Å; L160-I164 WeakPolarHBondContact O-CD1 3.27Å; L160-I164 VanDerWaalsContact O-CG1 3.25Å; L160-I164 WeakPolarHBondContact O-CG1 3.41Å; L160-I164 PolarHBondContact O-N 2.89Å; L162-I164 VanDerWaalsContact C-N 3.3Å; L162-I164 PolarHBondContact O-N 3.21Å; I164-S167 PolarHBondContact O-N 2.92Å; I164-L168 VanDerWaalsContact O-CB 3.32Å; I164-L168 WeakPolarHBondContact O-CB 3.35Å; I164-L168 PolarHBondContact O-N 2.84Å
165S98.2Very high98Very high6 Ų634 Ų344%0.04220%0.202CC..Hα-helixtrans-64.8-43.7-178.9-58.20000112.6Y36 S161 L162 S169Y36-S165 VanDerWaalsContact CD2-OG 3.23Å; Y36-S165 WeakPolarHBondContact CD2-OG 3.35Å; S161-S165 WeakPolarHBondContact O-CB 3.25Å; S161-S165 PolarHBondContact O-N 3.48Å; S161-S165 PolarHBondContact O-OG 3.01Å; L162-S165 CarbonylContact O-C 3.57Å; L162-S165 WeakPolarHBondContact O-CA 3.39Å; L162-S165 WeakPolarHBondContact O-CB 3.41Å; L162-S165 PolarHBondContact O-N 3.36Å; S165-S169 WeakPolarHBondContact O-CB 3.48Å; S165-S169 PolarHBondContact O-N 3.44Å; S165-S169 PolarHBondContact O-OG 2.94Å
166T98.1Very high98Very high14 Ų1434.4 Ų34.49%0.08620%0.203CC..Hα-helixtrans-65.5-45.5175.9-61.80000110.9L162 L168 S169 L170 T237 F238L162-T166 WeakPolarHBondContact O-CB 3.47Å; L162-T166 PolarHBondContact O-N 3.29Å; L162-T166 PolarHBondContact O-OG1 3.17Å; L162-T166 VanDerWaalsContact O-OG1 3.13Å; T166-L168 PolarHBondContact O-N 3.42Å; T166-S169 PolarHBondContact O-N 2.93Å; T166-L170 WeakPolarHBondContact O-CB 3.33Å; T166-L170 PolarHBondContact O-N 3.45Å; T166-T237 WeakPolarHBondContact OG1-CB 3.46Å; T166-T237 PolarHBondContact OG1-OG1 3.34Å; T166-F238 HydrophobicContact CG2-CB 3.85Å; T166-F238 HydrophobicContact CG2-CD2 4.13Å; T166-F238 HydrophobicContact CG2-CG 4.5Å; T166-F238 PolarHBondContact OG1-N 3.41Å
167S98.1Very high97.8Very high70 Ų7037.5 Ų37.549%0.4921%0.208SC..Hα-helixtrans-61.9-43178-59.30000111.9S163 I164 S171S163-S167 VanDerWaalsContact O-CB 3.25Å; S163-S167 WeakPolarHBondContact O-CB 3.49Å; S163-S167 PolarHBondContact O-N 3.4Å; S163-S167 PolarHBondContact O-OG 3.02Å; I164-S167 PolarHBondContact O-N 2.92Å; S167-S171 WeakPolarHBondContact O-CB 3.43Å; S167-S171 PolarHBondContact O-N 3.27Å; S167-S171 PolarHBondContact O-OG 3.01Å
168L98.2Very high97.7Very high14 Ų1438.6 Ų38.67%0.07322%0.22CC..Hα-helixtrans-65.8-44.7176.417957.9000111.7Y36 L40 V41 V44 L52 I164 T166 L170 S171 L172Y36-L168 HydrophobicContact CD2-CD2 4.41Å; Y36-L168 HydrophobicContact CE2-CD2 3.68Å; L40-L168 HydrophobicContact CB-CD2 3.74Å; L40-L168 HydrophobicContact CB-CG 4.26Å; V41-L168 HydrophobicContact CG2-CD2 4.38Å; V44-L168 HydrophobicContact CG1-CD1 3.65Å; L52-L168 HydrophobicContact CD1-CD1 4.04Å; L52-L168 HydrophobicContact CD1-CD2 4.32Å; I164-L168 VanDerWaalsContact O-CB 3.32Å; I164-L168 WeakPolarHBondContact O-CB 3.35Å; I164-L168 PolarHBondContact O-N 2.84Å; T166-L168 PolarHBondContact O-N 3.42Å; L168-L170 PolarHBondContact O-N 3.04Å; L168-S171 PolarHBondContact O-N 2.78Å; L168-L172 HydrophobicContact CD1-CD1 4.23Å; L168-L172 HydrophobicContact CD1-CG 4.25Å; L168-L172 HydrophobicContact CG-CD1 4.19Å; L168-L172 WeakPolarHBondContact O-CB 3.36Å; L168-L172 WeakPolarHBondContact O-CG 3.23Å; L168-L172 PolarHBondContact O-N 3.45Å
169S97.9Very high97.6Very high2 Ų237.9 Ų37.91%0.01421%0.214CC..Hα-helixtrans-62.4-43.9178.3-56.20000111.5L40 S165 T166 L172 A173 V230L40-S169 VanDerWaalsContact CD1-OG 3.23Å; L40-S169 WeakPolarHBondContact CD1-OG 3.33Å; S165-S169 WeakPolarHBondContact O-CB 3.48Å; S165-S169 PolarHBondContact O-N 3.44Å; S165-S169 PolarHBondContact O-OG 2.94Å; T166-S169 PolarHBondContact O-N 2.93Å; S169-L172 PolarHBondContact O-N 3.37Å; S169-A173 WeakPolarHBondContact O-CB 3.47Å; S169-A173 PolarHBondContact O-N 3.14Å; S169-V230 WeakPolarHBondContact O-CG1 3.31Å
170L97.9Very high97.4Very high91 Ų9140.1 Ų40.148%0.47622%0.22SC..Hα-helixtrans-62.4-43.7175.4-178.760.4000111.5T166 L168 L172 A173 I174T166-L170 WeakPolarHBondContact O-CB 3.33Å; T166-L170 PolarHBondContact O-N 3.45Å; L168-L170 PolarHBondContact O-N 3.04Å; L170-L172 PolarHBondContact O-N 3.47Å; L170-A173 WeakPolarHBondContact O-CB 3.45Å; L170-A173 PolarHBondContact O-N 3.21Å; L170-I174 HydrophobicContact CD1-CD1 4.22Å; L170-I174 HydrophobicContact CG-CD1 4.09Å; L170-I174 WeakPolarHBondContact O-CG1 3.34Å; L170-I174 PolarHBondContact O-N 3.03Å
171S97.7Very high97.2Very high69 Ų6938.9 Ų38.948%0.48322%0.217SC..Hα-helixtrans-62.2-42.9177.8-58.80000111.8S167 L168 I174 A175S167-S171 WeakPolarHBondContact O-CB 3.43Å; S167-S171 PolarHBondContact O-N 3.27Å; S167-S171 PolarHBondContact O-OG 3.01Å; L168-S171 PolarHBondContact O-N 2.78Å; S171-I174 PolarHBondContact O-N 3.15Å; S171-A175 WeakPolarHBondContact O-CB 3.47Å; S171-A175 PolarHBondContact O-N 3.3Å
172L97.7Very high97Very high4 Ų444.7 Ų44.72%0.02124%0.238CC..Hα-helixtrans-65.4-39.4175.6-75.5171.7000112.2L40 V44 L168 S169 L170 A175 Y176 I186 V230L40-L172 HydrophobicContact CB-CD1 4.27Å; L40-L172 HydrophobicContact CD2-CD1 4.03Å; V44-L172 HydrophobicContact CG1-CD2 3.88Å; V44-L172 HydrophobicContact CG1-CG 4.42Å; L168-L172 HydrophobicContact CD1-CD1 4.23Å; L168-L172 HydrophobicContact CD1-CG 4.25Å; L168-L172 HydrophobicContact CG-CD1 4.19Å; L168-L172 WeakPolarHBondContact O-CB 3.36Å; L168-L172 WeakPolarHBondContact O-CG 3.23Å; L168-L172 PolarHBondContact O-N 3.45Å; S169-L172 PolarHBondContact O-N 3.37Å; L170-L172 PolarHBondContact O-N 3.47Å; L172-A175 PolarHBondContact O-N 3.42Å; L172-Y176 PolarHBondContact O-N 2.65Å; L172-I186 HydrophobicContact CD2-CG1 4.13Å; L172-V230 HydrophobicContact CB-CG1 4Å
173A97Very high96.8Very high8 Ų844 Ų447%0.06623%0.234CC..Hα-helixtrans-62.5-41.2175.900000112.5S169 L170 Y176 F227 V230 I231S169-A173 WeakPolarHBondContact O-CB 3.47Å; S169-A173 PolarHBondContact O-N 3.14Å; L170-A173 WeakPolarHBondContact O-CB 3.45Å; L170-A173 PolarHBondContact O-N 3.21Å; A173-Y176 WeakPolarHBondContact O-CB 3.46Å; A173-F227 HydrophobicContact CB-CE2 4.27Å; A173-V230 HydrophobicContact CB-CG1 4.09Å; A173-I231 HydrophobicContact CB-CD1 3.47Å; A173-I231 VanDerWaalsContact CB-CD1 3.47Å; A173-I231 HydrophobicContact CB-CG1 4.32Å
174I97.5Very high96.7Very high100 Ų10049.2 Ų49.251%0.51325%0.249SC..Hα-helixtrans-67.7-48.5174.9-65.6165.8000109.9L170 S171 Y176 Y177 S178L170-I174 HydrophobicContact CD1-CD1 4.22Å; L170-I174 HydrophobicContact CG-CD1 4.09Å; L170-I174 WeakPolarHBondContact O-CG1 3.34Å; L170-I174 PolarHBondContact O-N 3.03Å; S171-I174 PolarHBondContact O-N 3.15Å; I174-Y176 PolarHBondContact O-N 2.96Å; I174-Y177 PolarHBondContact O-N 3.26Å; I174-Y177 VanDerWaalsContact O-N 3.1Å; I174-S178 PolarHBondContact O-N 3.45Å; I174-S178 VanDerWaalsContact O-N 3.1Å; I174-S178 PolarHBondContact O-OG 2.98Å
175A97Very high96.6Very high7 Ų755.4 Ų55.46%0.05827%0.271CS..Hα-helixtrans-60.1-30.1-179.700000112.9S171 L172 Y177 S178 D179 W185 I186S171-A175 WeakPolarHBondContact O-CB 3.47Å; S171-A175 PolarHBondContact O-N 3.3Å; L172-A175 PolarHBondContact O-N 3.42Å; A175-Y177 PolarHBondContact O-N 3.22Å; A175-Y177 VanDerWaalsContact O-N 3.08Å; A175-S178 WeakPolarHBondContact CA-OG 3.41Å; A175-S178 PolarHBondContact O-N 3.01Å; A175-D179 HydrophobicContact CB-CB 4.07Å; A175-D179 WeakPolarHBondContact O-CA 3.47Å; A175-D179 WeakPolarHBondContact O-CB 3.12Å; A175-D179 PolarHBondContact O-N 2.91Å; A175-W185 HydrophobicContact CB-CB 4.25Å; A175-I186 HydrophobicContact CB-CD1 3.85Å; A175-I186 HydrophobicContact CB-CG1 3.92Å
176Y96.3Very high96.5Very high20 Ų2055.1 Ų55.18%0.07827%0.269CS..Hα-helixtrans-54.2-31.4175.9-177.4-94000112.8L172 A173 I174 R180 Y189 F214 G223 F226 F227L172-Y176 PolarHBondContact O-N 2.65Å; A173-Y176 WeakPolarHBondContact O-CB 3.46Å; I174-Y176 PolarHBondContact O-N 2.96Å; Y176-R180 WeakPolarHBondContact O-CG 3.11Å; Y176-R180 PolarHBondContact O-NE 3.24Å; Y176-R180 VanDerWaalsContact O-NE 3.07Å; Y176-Y189 PolarHBondContact O-OH 3.46Å; Y176-Y189 VanDerWaalsContact O-OH 3.12Å; Y176-F214 HydrophobicContact CD2-CE1 4.45Å; Y176-F214 AromaticContact CD2-CZ 3.86Å; Y176-F214 HydrophobicContact CD2-CZ 3.86Å; Y176-F214 AromaticContact CE2-CE2 3.94Å; Y176-F214 HydrophobicContact CE2-CE2 3.94Å; Y176-F214 AromaticContact CE2-CZ 3.75Å; Y176-F214 HydrophobicContact CE2-CZ 3.75Å; Y176-G223 WeakPolarHBondContact CE2-O 3.48Å; Y176-G223 WeakPolarHBondContact OH-CA 3.32Å; Y176-G223 PolarHBondContact OH-O 2.87Å; Y176-F226 HydrophobicContact CD2-CD1 4.07Å; Y176-F226 HydrophobicContact CD2-CE1 4.34Å; Y176-F226 HydrophobicContact CE2-CD1 4.35Å; Y176-F227 HydrophobicContact CD1-CB 4.38Å; Y176-F227 AromaticContact CD1-CD2 3.64Å; Y176-F227 HydrophobicContact CD1-CD2 3.64Å; Y176-F227 HydrophobicContact CD1-CE2 4.19Å; Y176-F227 HydrophobicContact CD1-CG 4.11Å; Y176-F227 HydrophobicContact CD2-CB 4.31Å; Y176-F227 HydrophobicContact CD2-CD2 4.36Å; Y176-F227 HydrophobicContact CE1-CB 4.2Å; Y176-F227 HydrophobicContact CE1-CD2 4.2Å; Y176-F227 HydrophobicContact CE1-CG 4.2Å; Y176-F227 HydrophobicContact CE2-CB 4.12Å; Y176-F227 HydrophobicContact CG-CB 4.44Å; Y176-F227 AromaticContact CG-CD2 3.74Å; Y176-F227 HydrophobicContact CG-CD2 3.74Å; Y176-F227 HydrophobicContact CG-CE2 4.47Å; Y176-F227 HydrophobicContact CG-CG 4.39Å
177Y95.5Very high96.4Very high130 Ų13055.3 Ų55.351%0.5127%0.269SS..Hα-helixtrans-96.7-46.5174.8-65-86.3000112.4I174 A175 F227I174-Y177 PolarHBondContact O-N 3.26Å; I174-Y177 VanDerWaalsContact O-N 3.1Å; A175-Y177 PolarHBondContact O-N 3.22Å; A175-Y177 VanDerWaalsContact O-N 3.08Å; Y177-F227 HydrophobicContact CD2-CE2 4.35Å; Y177-F227 HydrophobicContact CE2-CD2 4.24Å; Y177-F227 HydrophobicContact CE2-CE1 4.36Å; Y177-F227 AromaticContact CE2-CE2 3.51Å; Y177-F227 HydrophobicContact CE2-CE2 3.51Å; Y177-F227 AromaticContact CE2-CZ 3.59Å; Y177-F227 HydrophobicContact CE2-CZ 3.59Å
178S96.4Very high96.3Very high66 Ų6652.7 Ų52.746%0.46225%0.252SS..Hα-helixtrans-79.9-24.4-170.561.50000114.6I174 A175I174-S178 PolarHBondContact O-N 3.45Å; I174-S178 VanDerWaalsContact O-N 3.1Å; I174-S178 PolarHBondContact O-OG 2.98Å; A175-S178 WeakPolarHBondContact CA-OG 3.41Å; A175-S178 PolarHBondContact O-N 3.01Å
179D95.9Very high96.2Very high2 Ų252 Ų521%0.01125%0.248CC..SBendtrans-91.2-8.1-172.7-165.149.4000113.5A175 Y182 G183 Y184 W185 I186 Y189A175-D179 HydrophobicContact CB-CB 4.07Å; A175-D179 WeakPolarHBondContact O-CA 3.47Å; A175-D179 WeakPolarHBondContact O-CB 3.12Å; A175-D179 PolarHBondContact O-N 2.91Å; D179-Y182 PolarHBondContact O-N 3.34Å; D179-Y182 VanDerWaalsContact O-N 3.1Å; D179-G183 PolarHBondContact O-N 2.94Å; D179-Y184 PolarHBondContact OD1-N 3.39Å; D179-Y184 PolarHBondContact OD2-N 3.17Å; D179-W185 PolarHBondContact OD1-N 2.98Å; D179-W185 PolarHBondContact OD2-N 3.35Å; D179-I186 PolarHBondContact OD2-N 3.48Å; D179-Y189 HydrophobicContact CB-CD2 4.06Å; D179-Y189 HydrophobicContact CB-CE2 4.47Å
180R94.2Very high96.1Very high63 Ų6354.6 Ų54.624%0.23826%0.259CS..THydrogen-bonded Turntrans-55-43.9-175.2-58.8-171.8-144.9161.98.7114.3Y176 Y182 Y189 W193 L204Y176-R180 WeakPolarHBondContact O-CG 3.11Å; Y176-R180 PolarHBondContact O-NE 3.24Å; Y176-R180 VanDerWaalsContact O-NE 3.07Å; R180-Y182 PolarHBondContact O-N 2.71Å; R180-Y189 HydrophobicContact CB-CE2 4.42Å; R180-Y189 HydrophobicContact CG-CD2 4.41Å; R180-Y189 HydrophobicContact CG-CE2 3.69Å; R180-W193 PolarHBondContact O-NE1 2.88Å; R180-L204 HydrophobicContact CB-CD2 4.38Å; R180-L204 WeakPolarHBondContact O-CD2 3.4Å
181P94.2Very high96Very high54 Ų5453.7 Ų53.735%0.35126%0.255SS..THydrogen-bonded Turntrans-71.1-16-178-18.633.7000114.1I201P181-I201 HydrophobicContact CB-CD1 4.07Å; P181-I201 HydrophobicContact CG-CD1 4.23Å
182Y94.1Very high95.9Very high134 Ų13450.8 Ų50.853%0.52523%0.234SC..THydrogen-bonded Turntrans-123.6-37.6-165.5-51.1-66.1000114.1D179 R180 Y184D179-Y182 PolarHBondContact O-N 3.34Å; D179-Y182 VanDerWaalsContact O-N 3.1Å; R180-Y182 PolarHBondContact O-N 2.71Å; Y182-Y184 HydrophobicContact CD1-CE2 4.09Å; Y182-Y184 HydrophobicContact CD2-CE2 4.49Å; Y182-Y184 HydrophobicContact CG-CD2 4.16Å; Y182-Y184 AromaticContact CG-CE2 3.79Å; Y182-Y184 HydrophobicContact CG-CE2 3.79Å
183G94.6Very high95.8Very high0 Ų053.5 Ų53.50%024%0.244CC..  trans6241.4-176.400000113.9D179 H190D179-G183 PolarHBondContact O-N 2.94Å; G183-H190 VanDerWaalsContact O-CA 3.31Å; G183-H190 WeakPolarHBondContact O-CA 3.32Å; G183-H190 VanDerWaalsContact O-CB 3.25Å; G183-H190 WeakPolarHBondContact O-CB 3.02Å; G183-H190 PolarHBondContact O-ND1 2.65Å
184Y95.7Very high95.6Very high147 Ų14759.2 Ų59.258%0.57627%0.269SS*.SBendtrans-84.9-26.7179.3-64.3-30.6000113.3V45 D179 Y182V45-Y184 VanDerWaalsContact CG1-O 3.31Å; V45-Y184 WeakPolarHBondContact CG1-O 3.3Å; V45-Y184 WeakPolarHBondContact CG2-O 3.36Å; D179-Y184 PolarHBondContact OD1-N 3.39Å; D179-Y184 PolarHBondContact OD2-N 3.17Å; Y182-Y184 HydrophobicContact CD1-CE2 4.09Å; Y182-Y184 HydrophobicContact CD2-CE2 4.49Å; Y182-Y184 HydrophobicContact CG-CD2 4.16Å; Y182-Y184 AromaticContact CG-CE2 3.79Å; Y182-Y184 HydrophobicContact CG-CE2 3.79Å
185W96.5Very high95.5Very high162 Ų16259.2 Ų59.261%0.61427%0.274SS*.SBendtrans-119.4-42.9-168.8-57.9109.2000113.7V44 V45 A175 D179V44-W185 WeakPolarHBondContact CA-O 3.21Å; V45-W185 PolarHBondContact N-O 2.85Å; A175-W185 HydrophobicContact CB-CB 4.25Å; D179-W185 PolarHBondContact OD1-N 2.98Å; D179-W185 PolarHBondContact OD2-N 3.35Å
186I96.8Very high95.3Very high1 Ų163 Ų631%0.00529%0.289CS..BIsolated β-bridgetrans-89.1124.9179.9-70.3179.4000109.5L172 A175 D179 A188 Y189 H190 F214L172-I186 HydrophobicContact CD2-CG1 4.13Å; A175-I186 HydrophobicContact CB-CD1 3.85Å; A175-I186 HydrophobicContact CB-CG1 3.92Å; D179-I186 PolarHBondContact OD2-N 3.48Å; I186-A188 VanDerWaalsContact C-N 3.3Å; I186-A188 HydrophobicContact CG2-CB 4.07Å; I186-A188 PolarHBondContact O-N 3.11Å; I186-Y189 HydrophobicContact CB-CD2 3.76Å; I186-Y189 HydrophobicContact CB-CE2 4.23Å; I186-Y189 HydrophobicContact CB-CG 4.12Å; I186-Y189 HydrophobicContact CD1-CD2 4.09Å; I186-Y189 HydrophobicContact CD1-CE2 3.7Å; I186-Y189 HydrophobicContact CG1-CD2 4.41Å; I186-Y189 HydrophobicContact CG1-CE2 4.49Å; I186-Y189 HydrophobicContact CG2-CD1 4.29Å; I186-Y189 HydrophobicContact CG2-CD2 3.98Å; I186-Y189 HydrophobicContact CG2-CE2 4.29Å; I186-Y189 HydrophobicContact CG2-CG 3.99Å; I186-Y189 PolarHBondContact O-N 3.2Å; I186-H190 PolarHBondContact O-N 2.71Å; I186-F214 HydrophobicContact CG2-CE1 3.76Å; I186-F214 HydrophobicContact CG2-CZ 4.35Å
187Q96.2Very high95.1Very high18 Ų1867.3 Ų67.38%0.08432%0.318CS..Hα-helixtrans-59.8-39.1-177.3-174.576.154.200112.5S43 V44 V45 T46 Y189 H190 N191S43-Q187 PolarHBondContact O-N 2.95Å; V44-Q187 PolarHBondContact O-OE1 3.33Å; V45-Q187 VanDerWaalsContact CA-OE1 3.3Å; T46-Q187 PolarHBondContact OG1-OE1 3.49Å; Q187-Y189 VanDerWaalsContact C-N 3.3Å; Q187-Y189 PolarHBondContact O-N 3Å; Q187-H190 WeakPolarHBondContact O-CB 3.12Å; Q187-H190 PolarHBondContact O-N 3.42Å; Q187-N191 PolarHBondContact NE2-OD1 2.8Å; Q187-N191 WeakPolarHBondContact O-CB 3.32Å; Q187-N191 PolarHBondContact O-N 3.31Å; Q187-N191 PolarHBondContact O-OD1 3.01Å
188A95.7Very high94.9Very high15 Ų1568.4 Ų68.412%0.12433%0.333CS..Hα-helixtrans-59.5-43179.600000111.7I186 Y192 V213 F214I186-A188 VanDerWaalsContact C-N 3.3Å; I186-A188 HydrophobicContact CG2-CB 4.07Å; I186-A188 PolarHBondContact O-N 3.11Å; A188-Y192 PolarHBondContact O-N 3.37Å; A188-Y192 VanDerWaalsContact O-N 3.14Å; A188-V213 HydrophobicContact CB-CB 4.39Å; A188-V213 HydrophobicContact CB-CG2 4.3Å; A188-F214 HydrophobicContact CB-CD1 4.14Å; A188-F214 HydrophobicContact CB-CE1 4.16Å; A188-F214 HydrophobicContact CB-CG 4.48Å
189Y96.2Very high94.7Very high0 Ų066.1 Ų66.10%032%0.32CS..Hα-helixtrans-71.5-40.4177.3-58.2-15.8000111.3Y176 D179 R180 I186 Q187 N191 Y192 W193 L204 I208 F214Y176-Y189 PolarHBondContact O-OH 3.46Å; Y176-Y189 VanDerWaalsContact O-OH 3.12Å; D179-Y189 HydrophobicContact CB-CD2 4.06Å; D179-Y189 HydrophobicContact CB-CE2 4.47Å; R180-Y189 HydrophobicContact CB-CE2 4.42Å; R180-Y189 HydrophobicContact CG-CD2 4.41Å; R180-Y189 HydrophobicContact CG-CE2 3.69Å; I186-Y189 HydrophobicContact CB-CD2 3.76Å; I186-Y189 HydrophobicContact CB-CE2 4.23Å; I186-Y189 HydrophobicContact CB-CG 4.12Å; I186-Y189 HydrophobicContact CD1-CD2 4.09Å; I186-Y189 HydrophobicContact CD1-CE2 3.7Å; I186-Y189 HydrophobicContact CG1-CD2 4.41Å; I186-Y189 HydrophobicContact CG1-CE2 4.49Å; I186-Y189 HydrophobicContact CG2-CD1 4.29Å; I186-Y189 HydrophobicContact CG2-CD2 3.98Å; I186-Y189 HydrophobicContact CG2-CE2 4.29Å; I186-Y189 HydrophobicContact CG2-CG 3.99Å; I186-Y189 PolarHBondContact O-N 3.2Å; Q187-Y189 VanDerWaalsContact C-N 3.3Å; Q187-Y189 PolarHBondContact O-N 3Å; Y189-N191 VanDerWaalsContact C-N 3.34Å; Y189-N191 PolarHBondContact O-N 3.2Å; Y189-Y192 WeakPolarHBondContact O-CB 3.49Å; Y189-Y192 PolarHBondContact O-N 3.27Å; Y189-W193 VanDerWaalsContact O-CD1 3.22Å; Y189-W193 PolarHBondContact O-N 2.72Å; Y189-L204 HydrophobicContact CD1-CD1 4.06Å; Y189-L204 HydrophobicContact CD1-CD2 4.25Å; Y189-L204 HydrophobicContact CE1-CD1 4.47Å; Y189-I208 HydrophobicContact CD1-CD1 4.39Å; Y189-I208 HydrophobicContact CE1-CD1 3.47Å; Y189-I208 VanDerWaalsContact CE1-CD1 3.47Å; Y189-I208 HydrophobicContact CE1-CG1 3.89Å; Y189-F214 HydrophobicContact CD1-CZ 4.43Å; Y189-F214 HydrophobicContact CE1-CE1 4.46Å; Y189-F214 AromaticContact CE1-CE2 3.97Å; Y189-F214 HydrophobicContact CE1-CE2 3.97Å; Y189-F214 AromaticContact CE1-CZ 3.51Å; Y189-F214 HydrophobicContact CE1-CZ 3.51Å; Y189-F214 AromaticContact CZ-CZ 3.67Å
190H95.7Very high94.7Very high55 Ų5569.2 Ų69.226%0.25534%0.339SS..Hα-helixtrans-56.2-48.1174-170.270.5000112V45 G183 I186 Q187 Y192 W193 Q194V45-H190 HydrophobicContact CG1-CB 3.82Å; G183-H190 VanDerWaalsContact O-CA 3.31Å; G183-H190 WeakPolarHBondContact O-CA 3.32Å; G183-H190 VanDerWaalsContact O-CB 3.25Å; G183-H190 WeakPolarHBondContact O-CB 3.02Å; G183-H190 PolarHBondContact O-ND1 2.65Å; I186-H190 PolarHBondContact O-N 2.71Å; Q187-H190 WeakPolarHBondContact O-CB 3.12Å; Q187-H190 PolarHBondContact O-N 3.42Å; H190-Y192 VanDerWaalsContact C-N 3.32Å; H190-Y192 PolarHBondContact O-N 2.92Å; H190-W193 PolarHBondContact O-N 2.94Å; H190-Q194 VanDerWaalsContact NE2-CD 3.31Å; H190-Q194 PolarHBondContact NE2-NE2 3.13Å; H190-Q194 PolarHBondContact NE2-OE1 3.23Å; H190-Q194 WeakPolarHBondContact O-CB 3.47Å; H190-Q194 WeakPolarHBondContact O-CG 3.25Å; H190-Q194 PolarHBondContact O-N 2.67Å
191N94.7Very high94.7Very high73 Ų7369.4 Ų69.439%0.3934%0.343SS..Hα-helixtrans-61.8-40.8178.1-71.1-8.6000111.9Q187 Y189 Q194 T195Q187-N191 PolarHBondContact NE2-OD1 2.8Å; Q187-N191 WeakPolarHBondContact O-CB 3.32Å; Q187-N191 PolarHBondContact O-N 3.31Å; Q187-N191 PolarHBondContact O-OD1 3.01Å; Y189-N191 VanDerWaalsContact C-N 3.34Å; Y189-N191 PolarHBondContact O-N 3.2Å; N191-Q194 PolarHBondContact O-N 3.46Å; N191-T195 WeakPolarHBondContact O-CB 3.33Å; N191-T195 PolarHBondContact O-N 2.76Å; N191-T195 PolarHBondContact O-OG1 3.03Å
192Y95.4Very high94.7Very high8 Ų873.2 Ų73.23%0.03136%0.357CS..Hα-helixtrans-58.7-54.4176.9174.8-92.3000111.1A188 Y189 H190 Q194 T195 F196 G199 T200 H203 L204 L207A188-Y192 PolarHBondContact O-N 3.37Å; A188-Y192 VanDerWaalsContact O-N 3.14Å; Y189-Y192 WeakPolarHBondContact O-CB 3.49Å; Y189-Y192 PolarHBondContact O-N 3.27Å; H190-Y192 VanDerWaalsContact C-N 3.32Å; H190-Y192 PolarHBondContact O-N 2.92Å; Y192-Q194 VanDerWaalsContact C-N 3.28Å; Y192-Q194 PolarHBondContact O-N 3.4Å; Y192-T195 PolarHBondContact O-N 3.04Å; Y192-F196 AromaticContact CD2-CD2 3.52Å; Y192-F196 HydrophobicContact CD2-CD2 3.52Å; Y192-F196 HydrophobicContact CD2-CE2 4.04Å; Y192-F196 HydrophobicContact CD2-CG 4.45Å; Y192-F196 HydrophobicContact CE1-CB 4.47Å; Y192-F196 HydrophobicContact CE2-CB 4.3Å; Y192-F196 AromaticContact CE2-CD2 3.54Å; Y192-F196 HydrophobicContact CE2-CD2 3.54Å; Y192-F196 HydrophobicContact CE2-CE2 4.13Å; Y192-F196 HydrophobicContact CE2-CG 4.12Å; Y192-F196 HydrophobicContact CG-CD2 4.24Å; Y192-F196 PolarHBondContact O-N 3.04Å; Y192-G199 WeakPolarHBondContact OH-CA 3.38Å; Y192-T200 PolarHBondContact OH-N 3.34Å; Y192-T200 VanDerWaalsContact OH-N 3.13Å; Y192-T200 PolarHBondContact OH-O 3.44Å; Y192-H203 AromaticContact CE2-CE1 3.98Å; Y192-H203 AromaticContact CE2-ND1 3.56Å; Y192-H203 AromaticContact CZ-ND1 3.82Å; Y192-H203 WeakPolarHBondContact OH-CB 3.2Å; Y192-H203 PolarHBondContact OH-ND1 3.26Å; Y192-H203 VanDerWaalsContact OH-ND1 3.16Å; Y192-L204 HydrophobicContact CD1-CB 4.09Å; Y192-L204 HydrophobicContact CD1-CD1 4.08Å; Y192-L204 HydrophobicContact CD1-CD2 4.21Å; Y192-L204 HydrophobicContact CD1-CG 4.34Å; Y192-L204 HydrophobicContact CD2-CB 4.35Å; Y192-L204 HydrophobicContact CD2-CD1 3.93Å; Y192-L204 HydrophobicContact CE1-CB 3.83Å; Y192-L204 HydrophobicContact CE2-CB 4.06Å; Y192-L204 HydrophobicContact CE2-CD1 4.47Å; Y192-L204 HydrophobicContact CG-CB 4.36Å; Y192-L204 HydrophobicContact CG-CD1 3.7Å; Y192-L204 HydrophobicContact CG-CG 4.43Å; Y192-L207 HydrophobicContact CD2-CD1 3.6Å; Y192-L207 HydrophobicContact CE2-CD1 3.63Å
193W95.5Very high94.7Very high61 Ų6170 Ų7023%0.23135%0.346CS..Hα-helixtrans-69.1-25.2-176.9-71115.7000113.3R180 Y189 H190 G199 I201R180-W193 PolarHBondContact O-NE1 2.88Å; Y189-W193 VanDerWaalsContact O-CD1 3.22Å; Y189-W193 PolarHBondContact O-N 2.72Å; H190-W193 PolarHBondContact O-N 2.94Å; W193-G199 WeakPolarHBondContact CZ3-O 3.35Å; W193-I201 HydrophobicContact CH2-CG1 4.33Å; W193-I201 HydrophobicContact CZ2-CG1 4.11Å
194Q94Very high94.7Very high127 Ų12770 Ų7059%0.59335%0.346SS*.Hα-helixtrans-73.2-32.6169.3-74.5-166-38.200113.3H190 N191 Y192H190-Q194 VanDerWaalsContact NE2-CD 3.31Å; H190-Q194 PolarHBondContact NE2-NE2 3.13Å; H190-Q194 PolarHBondContact NE2-OE1 3.23Å; H190-Q194 WeakPolarHBondContact O-CB 3.47Å; H190-Q194 WeakPolarHBondContact O-CG 3.25Å; H190-Q194 PolarHBondContact O-N 2.67Å; N191-Q194 PolarHBondContact O-N 3.46Å; Y192-Q194 VanDerWaalsContact C-N 3.28Å; Y192-Q194 PolarHBondContact O-N 3.4Å
195T94.7Very high94.6Very high100 Ų10065.6 Ų65.661%0.61333%0.333SS*.Hα-helixtrans-85.6-42.6-176.9-540000111.8N191 Y192N191-T195 WeakPolarHBondContact O-CB 3.33Å; N191-T195 PolarHBondContact O-N 2.76Å; N191-T195 PolarHBondContact O-OG1 3.03Å; Y192-T195 PolarHBondContact O-N 3.04Å
196F93.9Very high94.4Very high86 Ų8663.8 Ų63.838%0.37733%0.327SS..  trans-110.779.3-177.4-59-79.2000109.6Y192 N198 G199 H203 L207Y192-F196 AromaticContact CD2-CD2 3.52Å; Y192-F196 HydrophobicContact CD2-CD2 3.52Å; Y192-F196 HydrophobicContact CD2-CE2 4.04Å; Y192-F196 HydrophobicContact CD2-CG 4.45Å; Y192-F196 HydrophobicContact CE1-CB 4.47Å; Y192-F196 HydrophobicContact CE2-CB 4.3Å; Y192-F196 AromaticContact CE2-CD2 3.54Å; Y192-F196 HydrophobicContact CE2-CD2 3.54Å; Y192-F196 HydrophobicContact CE2-CE2 4.13Å; Y192-F196 HydrophobicContact CE2-CG 4.12Å; Y192-F196 HydrophobicContact CG-CD2 4.24Å; Y192-F196 PolarHBondContact O-N 3.04Å; F196-N198 PolarHBondContact O-N 3.17Å; F196-G199 PolarHBondContact O-N 3.31Å; F196-H203 AromaticContact CE1-CE1 3.78Å; F196-H203 AromaticContact CZ-CE1 3.77Å; F196-L207 HydrophobicContact CE2-CD1 4.44Å
197T90.7Very high94.2Very high112 Ų11264.6 Ų64.669%0.68733%0.331SS*.THydrogen-bonded Turntrans-59.2-29.8-179.652.90000113.3
198N92.5Very high94.1Very high153 Ų15364 Ų6482%0.81833%0.328SS*.THydrogen-bonded Turntrans-108.323.8173.5-61.1-29000112.1F196F196-N198 PolarHBondContact O-N 3.17Å
199G91.9Very high93.9Very high18 Ų1867.7 Ų67.719%0.18635%0.349CS..  trans-64159.8176.200000112Y192 W193 F196Y192-G199 WeakPolarHBondContact OH-CA 3.38Å; W193-G199 WeakPolarHBondContact CZ3-O 3.35Å; F196-G199 PolarHBondContact O-N 3.31Å
200T95.6Very high93.2Very high67 Ų6772.7 Ų72.741%0.41138%0.376SS..  trans-116154.9175.683.80000110.5Y192 E202 H203 L204Y192-T200 PolarHBondContact OH-N 3.34Å; Y192-T200 VanDerWaalsContact OH-N 3.13Å; Y192-T200 PolarHBondContact OH-O 3.44Å; T200-E202 WeakPolarHBondContact CB-OE2 3.34Å; T200-E202 PolarHBondContact O-N 2.89Å; T200-E202 PolarHBondContact OG1-N 3.43Å; T200-E202 PolarHBondContact OG1-OE2 3.13Å; T200-H203 PolarHBondContact O-N 3.34Å; T200-H203 VanDerWaalsContact O-N 3.12Å; T200-H203 PolarHBondContact OG1-N 2.8Å; T200-L204 PolarHBondContact O-N 2.88Å
201I94.4Very high92.3Very high66 Ų6674.3 Ų74.334%0.33839%0.387SS..Hα-helixtrans-61.4-31.4177.6-68.2174.7000110.7P181 W193 L204 N205P181-I201 HydrophobicContact CB-CD1 4.07Å; P181-I201 HydrophobicContact CG-CD1 4.23Å; W193-I201 HydrophobicContact CH2-CG1 4.33Å; W193-I201 HydrophobicContact CZ2-CG1 4.11Å; I201-L204 PolarHBondContact O-N 2.89Å; I201-N205 WeakPolarHBondContact O-CB 3.33Å; I201-N205 VanDerWaalsContact O-CG 3.23Å; I201-N205 PolarHBondContact O-N 3.27Å; I201-N205 PolarHBondContact O-ND2 3.29Å
202E94.4Very high91.7Very high134 Ų13471.1 Ų71.163%0.62637%0.371SS*.Hα-helixtrans-62.6-45.5174.9-59.372.8-156.600111.3T200 N205 Y206T200-E202 WeakPolarHBondContact CB-OE2 3.34Å; T200-E202 PolarHBondContact O-N 2.89Å; T200-E202 PolarHBondContact OG1-N 3.43Å; T200-E202 PolarHBondContact OG1-OE2 3.13Å; E202-N205 PolarHBondContact O-N 3.04Å; E202-Y206 PolarHBondContact O-N 3.47Å
203H93.4Very high91.5Very high67 Ų6772.7 Ų72.731%0.3138%0.381SS..Hα-helixtrans-63.9-42.6175.5177.4-143.1000111.1Y192 F196 T200 N205 Y206 L207Y192-H203 AromaticContact CE2-CE1 3.98Å; Y192-H203 AromaticContact CE2-ND1 3.56Å; Y192-H203 AromaticContact CZ-ND1 3.82Å; Y192-H203 WeakPolarHBondContact OH-CB 3.2Å; Y192-H203 PolarHBondContact OH-ND1 3.26Å; Y192-H203 VanDerWaalsContact OH-ND1 3.16Å; F196-H203 AromaticContact CE1-CE1 3.78Å; F196-H203 AromaticContact CZ-CE1 3.77Å; T200-H203 PolarHBondContact O-N 3.34Å; T200-H203 VanDerWaalsContact O-N 3.12Å; T200-H203 PolarHBondContact OG1-N 2.8Å; H203-N205 VanDerWaalsContact C-N 3.35Å; H203-N205 PolarHBondContact O-N 2.9Å; H203-Y206 WeakPolarHBondContact O-CB 3.22Å; H203-Y206 PolarHBondContact O-N 3.02Å; H203-L207 WeakPolarHBondContact O-CG 3.15Å; H203-L207 PolarHBondContact O-N 3.18Å; H203-L207 VanDerWaalsContact O-N 3.11Å
204L95Very high91.4Very high0 Ų070 Ų700%037%0.371CS..Hα-helixtrans-59.7-43.7173.4176.657.8000112.1R180 Y189 Y192 T200 I201 Y206 L207 I208R180-L204 HydrophobicContact CB-CD2 4.38Å; R180-L204 WeakPolarHBondContact O-CD2 3.4Å; Y189-L204 HydrophobicContact CD1-CD1 4.06Å; Y189-L204 HydrophobicContact CD1-CD2 4.25Å; Y189-L204 HydrophobicContact CE1-CD1 4.47Å; Y192-L204 HydrophobicContact CD1-CB 4.09Å; Y192-L204 HydrophobicContact CD1-CD1 4.08Å; Y192-L204 HydrophobicContact CD1-CD2 4.21Å; Y192-L204 HydrophobicContact CD1-CG 4.34Å; Y192-L204 HydrophobicContact CD2-CB 4.35Å; Y192-L204 HydrophobicContact CD2-CD1 3.93Å; Y192-L204 HydrophobicContact CE1-CB 3.83Å; Y192-L204 HydrophobicContact CE2-CB 4.06Å; Y192-L204 HydrophobicContact CE2-CD1 4.47Å; Y192-L204 HydrophobicContact CG-CB 4.36Å; Y192-L204 HydrophobicContact CG-CD1 3.7Å; Y192-L204 HydrophobicContact CG-CG 4.43Å; T200-L204 PolarHBondContact O-N 2.88Å; I201-L204 PolarHBondContact O-N 2.89Å; L204-Y206 VanDerWaalsContact C-N 3.31Å; L204-Y206 PolarHBondContact O-N 2.84Å; L204-L207 PolarHBondContact O-N 3.48Å; L204-I208 HydrophobicContact CD1-CD1 4.02Å; L204-I208 HydrophobicContact CD1-CG1 4.07Å; L204-I208 HydrophobicContact CD2-CD1 4.45Å; L204-I208 HydrophobicContact CG-CD1 3.78Å; L204-I208 HydrophobicContact CG-CG1 4.31Å; L204-I208 VanDerWaalsContact O-CG1 3.23Å; L204-I208 WeakPolarHBondContact O-CG1 3.48Å; L204-I208 PolarHBondContact O-N 2.94Å
205N94Very high91.3Very high54 Ų5470.9 Ų70.929%0.28937%0.369SS..Hα-helixtrans-63.3-35.9179-74.5-34.2000112.5I201 E202 H203 I208 T209I201-N205 WeakPolarHBondContact O-CB 3.33Å; I201-N205 VanDerWaalsContact O-CG 3.23Å; I201-N205 PolarHBondContact O-N 3.27Å; I201-N205 PolarHBondContact O-ND2 3.29Å; E202-N205 PolarHBondContact O-N 3.04Å; H203-N205 VanDerWaalsContact C-N 3.35Å; H203-N205 PolarHBondContact O-N 2.9Å; N205-I208 PolarHBondContact O-N 3.47Å; N205-T209 PolarHBondContact O-N 3.4Å; N205-T209 VanDerWaalsContact O-N 3.15Å; N205-T209 PolarHBondContact O-OG1 3.43Å
206Y93Very high91.2Very high124 Ų12467.2 Ų67.249%0.48635%0.345SS..Hα-helixtrans-59.8-51.2171174.5-101.9000110.7E202 H203 L204 I208 T209 D210E202-Y206 PolarHBondContact O-N 3.47Å; H203-Y206 WeakPolarHBondContact O-CB 3.22Å; H203-Y206 PolarHBondContact O-N 3.02Å; L204-Y206 VanDerWaalsContact C-N 3.31Å; L204-Y206 PolarHBondContact O-N 2.84Å; Y206-I208 VanDerWaalsContact C-N 3.3Å; Y206-I208 PolarHBondContact O-N 3.32Å; Y206-T209 PolarHBondContact O-N 3.3Å; Y206-D210 HydrophobicContact CD2-CB 4.33Å; Y206-D210 VanDerWaalsContact CD2-OD2 3.29Å; Y206-D210 WeakPolarHBondContact CD2-OD2 3.48Å; Y206-D210 HydrophobicContact CE2-CB 3.96Å; Y206-D210 WeakPolarHBondContact CE2-OD2 3.23Å; Y206-D210 PolarHBondContact O-N 3.43Å
207L92.3Very high91.1Very high18 Ų1868.7 Ų68.79%0.09435%0.352CS..Iπ-helixtrans-64.9-32.3-179.7-60.1178.5000113.5Y192 F196 H203 L204 T209 D211 G212 V213Y192-L207 HydrophobicContact CD2-CD1 3.6Å; Y192-L207 HydrophobicContact CE2-CD1 3.63Å; F196-L207 HydrophobicContact CE2-CD1 4.44Å; H203-L207 WeakPolarHBondContact O-CG 3.15Å; H203-L207 PolarHBondContact O-N 3.18Å; H203-L207 VanDerWaalsContact O-N 3.11Å; L204-L207 PolarHBondContact O-N 3.48Å; L207-T209 VanDerWaalsContact C-N 3.31Å; L207-D211 HydrophobicContact CD2-CB 3.85Å; L207-D211 WeakPolarHBondContact CD2-OD2 3.35Å; L207-G212 PolarHBondContact O-N 3.47Å; L207-G212 VanDerWaalsContact O-N 3.13Å; L207-V213 HydrophobicContact CB-CG1 3.42Å; L207-V213 VanDerWaalsContact CB-CG1 3.42Å; L207-V213 HydrophobicContact CD1-CG1 4.28Å; L207-V213 HydrophobicContact CG-CG1 4.41Å; L207-V213 PolarHBondContact O-N 2.88Å
208I93.9Very high91Very high7 Ų765.6 Ų65.64%0.03634%0.342CS..Iπ-helixtrans-63.5-38.4173-72169.5000111.1Y189 L204 N205 Y206 V213 F214 G223Y189-I208 HydrophobicContact CD1-CD1 4.39Å; Y189-I208 HydrophobicContact CE1-CD1 3.47Å; Y189-I208 VanDerWaalsContact CE1-CD1 3.47Å; Y189-I208 HydrophobicContact CE1-CG1 3.89Å; L204-I208 HydrophobicContact CD1-CD1 4.02Å; L204-I208 HydrophobicContact CD1-CG1 4.07Å; L204-I208 HydrophobicContact CD2-CD1 4.45Å; L204-I208 HydrophobicContact CG-CD1 3.78Å; L204-I208 HydrophobicContact CG-CG1 4.31Å; L204-I208 VanDerWaalsContact O-CG1 3.23Å; L204-I208 WeakPolarHBondContact O-CG1 3.48Å; L204-I208 PolarHBondContact O-N 2.94Å; N205-I208 PolarHBondContact O-N 3.47Å; Y206-I208 VanDerWaalsContact C-N 3.3Å; Y206-I208 PolarHBondContact O-N 3.32Å; I208-V213 HydrophobicContact CG1-CG2 3.95Å; I208-F214 HydrophobicContact CG1-CE2 4.2Å; I208-F214 HydrophobicContact CG2-CE2 4.26Å; I208-G223 PolarHBondContact O-N 3.47Å
209T90.7Very high91Very high92 Ų9264.5 Ų64.556%0.56434%0.336SS*.Iπ-helixtrans-87.4-48.3-172.8-520000111.7N205 Y206 L207N205-T209 PolarHBondContact O-N 3.4Å; N205-T209 VanDerWaalsContact O-N 3.15Å; N205-T209 PolarHBondContact O-OG1 3.43Å; Y206-T209 PolarHBondContact O-N 3.3Å; L207-T209 VanDerWaalsContact C-N 3.31Å
210D81.7Confident91Very high104 Ų10468.4 Ų68.456%0.55635%0.352SS*.Iπ-helixtrans-107.3-45.1-163.4-62.7-55.3000113.5Y206Y206-D210 HydrophobicContact CD2-CB 4.33Å; Y206-D210 VanDerWaalsContact CD2-OD2 3.29Å; Y206-D210 WeakPolarHBondContact CD2-OD2 3.48Å; Y206-D210 HydrophobicContact CE2-CB 3.96Å; Y206-D210 WeakPolarHBondContact CE2-OD2 3.23Å; Y206-D210 PolarHBondContact O-N 3.43Å
211D75.9Confident90.9Very high90 Ų9066.2 Ų66.248%0.48134%0.34SS..Iπ-helixtrans-87.7-10.9-174.5-76.5-16.4000114.6L207L207-D211 HydrophobicContact CD2-CB 3.85Å; L207-D211 WeakPolarHBondContact CD2-OD2 3.35Å
212G82.2Confident90.8Very high5 Ų564.8 Ų64.85%0.05234%0.335CS..  trans66.960.4175.900000114.2L207 F214 N220 S221L207-G212 PolarHBondContact O-N 3.47Å; L207-G212 VanDerWaalsContact O-N 3.13Å; G212-F214 PolarHBondContact O-N 2.92Å; G212-N220 VanDerWaalsContact O-CB 3.29Å; G212-N220 WeakPolarHBondContact O-CB 3.33Å; G212-S221 CarbonylContact C-O 3.52Å; G212-S221 VanDerWaalsContact CA-C 3.43Å; G212-S221 WeakPolarHBondContact CA-O 3.05Å; G212-S221 PolarHBondContact O-N 3.47Å
213V91.3Very high90.8Very high42 Ų4258.4 Ų58.426%0.25531%0.305SS..BIsolated β-bridgetrans-63.1-20.1178.1-680000114.9A188 L207 I208A188-V213 HydrophobicContact CB-CB 4.39Å; A188-V213 HydrophobicContact CB-CG2 4.3Å; L207-V213 HydrophobicContact CB-CG1 3.42Å; L207-V213 VanDerWaalsContact CB-CG1 3.42Å; L207-V213 HydrophobicContact CD1-CG1 4.28Å; L207-V213 HydrophobicContact CG-CG1 4.41Å; L207-V213 PolarHBondContact O-N 2.88Å; I208-V213 HydrophobicContact CG1-CG2 3.95Å
214F93.7Very high90.8Very high3 Ų360.6 Ų60.61%0.01332%0.319CS..EExtended strand (participates in β ladder)trans-81.1143.9177.6-69.8-90.1000110.2Y176 I186 A188 Y189 I208 G212 N220 S221 G223 F226Y176-F214 HydrophobicContact CD2-CE1 4.45Å; Y176-F214 AromaticContact CD2-CZ 3.86Å; Y176-F214 HydrophobicContact CD2-CZ 3.86Å; Y176-F214 AromaticContact CE2-CE2 3.94Å; Y176-F214 HydrophobicContact CE2-CE2 3.94Å; Y176-F214 AromaticContact CE2-CZ 3.75Å; Y176-F214 HydrophobicContact CE2-CZ 3.75Å; I186-F214 HydrophobicContact CG2-CE1 3.76Å; I186-F214 HydrophobicContact CG2-CZ 4.35Å; A188-F214 HydrophobicContact CB-CD1 4.14Å; A188-F214 HydrophobicContact CB-CE1 4.16Å; A188-F214 HydrophobicContact CB-CG 4.48Å; Y189-F214 HydrophobicContact CD1-CZ 4.43Å; Y189-F214 HydrophobicContact CE1-CE1 4.46Å; Y189-F214 AromaticContact CE1-CE2 3.97Å; Y189-F214 HydrophobicContact CE1-CE2 3.97Å; Y189-F214 AromaticContact CE1-CZ 3.51Å; Y189-F214 HydrophobicContact CE1-CZ 3.51Å; Y189-F214 AromaticContact CZ-CZ 3.67Å; I208-F214 HydrophobicContact CG1-CE2 4.2Å; I208-F214 HydrophobicContact CG2-CE2 4.26Å; G212-F214 PolarHBondContact O-N 2.92Å; F214-N220 CarbonylContact O-C 3.21Å; F214-N220 WeakPolarHBondContact O-CA 3.49Å; F214-S221 PolarHBondContact N-O 3.49Å; F214-S221 PolarHBondContact O-N 3.45Å; F214-G223 VanDerWaalsContact CD2-CA 3.44Å; F214-F226 HydrophobicContact CB-CB 3.9Å; F214-F226 HydrophobicContact CB-CD2 4.41Å; F214-F226 HydrophobicContact CB-CG 4.14Å; F214-F226 HydrophobicContact CD1-CB 4.03Å; F214-F226 AromaticContact CD1-CD1 3.42Å; F214-F226 HydrophobicContact CD1-CD1 3.42Å; F214-F226 VanDerWaalsContact CD1-CD1 3.42Å; F214-F226 AromaticContact CD1-CD2 3.88Å; F214-F226 HydrophobicContact CD1-CD2 3.88Å; F214-F226 AromaticContact CD1-CE1 3.78Å; F214-F226 HydrophobicContact CD1-CE1 3.78Å; F214-F226 HydrophobicContact CD1-CE2 4.22Å; F214-F226 AromaticContact CD1-CG 3.47Å; F214-F226 HydrophobicContact CD1-CG 3.47Å; F214-F226 VanDerWaalsContact CD1-CG 3.47Å; F214-F226 HydrophobicContact CD1-CZ 4.15Å; F214-F226 HydrophobicContact CD2-CB 4.42Å; F214-F226 AromaticContact CE1-CD1 3.41Å; F214-F226 HydrophobicContact CE1-CD1 3.41Å; F214-F226 VanDerWaalsContact CE1-CD1 3.41Å; F214-F226 AromaticContact CE1-CE1 3.53Å; F214-F226 HydrophobicContact CE1-CE1 3.53Å; F214-F226 AromaticContact CE1-CG 3.98Å; F214-F226 HydrophobicContact CE1-CG 3.98Å; F214-F226 HydrophobicContact CE1-CZ 4.2Å; F214-F226 HydrophobicContact CG-CB 3.86Å; F214-F226 HydrophobicContact CG-CD1 4.08Å; F214-F226 HydrophobicContact CG-CD2 4.42Å; F214-F226 AromaticContact CG-CG 3.85Å; F214-F226 HydrophobicContact CG-CG 3.85Å; F214-F226 HydrophobicContact CZ-CD1 4.06Å; F214-F226 HydrophobicContact CZ-CE1 4.41Å
215R91.4Very high90.7Very high147 Ų14763.5 Ų63.556%0.55534%0.337SS*.EExtended strand (participates in β ladder)trans-112.3120.2177.5-65.8-174.1-178.6-73.7-7.9110.3G218 L219 N220R215-G218 PolarHBondContact NH1-O 2.91Å; R215-L219 CarbonylContact C-O 3.49Å; R215-L219 VanDerWaalsContact CA-O 3.28Å; R215-L219 WeakPolarHBondContact CA-O 3.42Å; R215-N220 PolarHBondContact NH1-OD1 3.35Å
216I92.8Very high90.8Very high22 Ų2261 Ų6111%0.11332%0.323CS..EExtended strand (participates in β ladder)trans-110.5114.5171.8-64.4166.8000107.1I39 G218 L219 S221 V225 I229I39-I216 HydrophobicContact CD1-CG2 3.86Å; I39-I216 HydrophobicContact CG1-CG2 4.19Å; I216-G218 PolarHBondContact O-N 3.42Å; I216-G218 VanDerWaalsContact O-N 3.15Å; I216-L219 PolarHBondContact N-O 2.87Å; I216-L219 PolarHBondContact O-N 2.72Å; I216-S221 WeakPolarHBondContact CD1-OG 3.49Å; I216-V225 HydrophobicContact CD1-CG1 3.89Å; I216-I229 HydrophobicContact CD1-CD1 3.51Å; I216-I229 HydrophobicContact CG1-CD1 4.5Å
217F92.1Very high90.9Very high117 Ų11757 Ų5751%0.51331%0.308SS..THydrogen-bonded Turntrans5036.7-171.9-57.5-66.5000113.3I34 I39 L219I34-F217 HydrophobicContact CG2-CE1 3.52Å; I34-F217 HydrophobicContact CG2-CZ 3.62Å; I39-F217 HydrophobicContact CD1-CD2 4.42Å; I39-F217 HydrophobicContact CD1-CE2 3.7Å; I39-F217 HydrophobicContact CD1-CZ 3.77Å; I39-F217 HydrophobicContact CG1-CD2 4.46Å; I39-F217 HydrophobicContact CG1-CE1 4.11Å; I39-F217 HydrophobicContact CG1-CE2 4.01Å; I39-F217 HydrophobicContact CG1-CZ 3.8Å; F217-L219 VanDerWaalsContact C-N 3.29Å; F217-L219 PolarHBondContact O-N 2.94Å
218G88.2Confident91.1Very high47 Ų4760.3 Ų60.349%0.48533%0.325SS..THydrogen-bonded Turntrans86.7-18.2-179.700000115.4R215 I216R215-G218 PolarHBondContact NH1-O 2.91Å; I216-G218 PolarHBondContact O-N 3.42Å; I216-G218 VanDerWaalsContact O-N 3.15Å
219L92.3Very high91.2Very high131 Ų13162.6 Ų62.669%0.68634%0.337SS*.EExtended strand (participates in β ladder)trans-81.6137.1180-58.5176.1000111.2R215 I216 F217R215-L219 CarbonylContact C-O 3.49Å; R215-L219 VanDerWaalsContact CA-O 3.28Å; R215-L219 WeakPolarHBondContact CA-O 3.42Å; I216-L219 PolarHBondContact N-O 2.87Å; I216-L219 PolarHBondContact O-N 2.72Å; F217-L219 VanDerWaalsContact C-N 3.29Å; F217-L219 PolarHBondContact O-N 2.94Å
220N92.4Very high91.5Very high100 Ų10058.3 Ų58.354%0.53531%0.311SS..EExtended strand (participates in β ladder)trans-60.9138.7174.5-70.67.5000110.2G212 F214 R215G212-N220 VanDerWaalsContact O-CB 3.29Å; G212-N220 WeakPolarHBondContact O-CB 3.33Å; F214-N220 CarbonylContact O-C 3.21Å; F214-N220 WeakPolarHBondContact O-CA 3.49Å; R215-N220 PolarHBondContact NH1-OD1 3.35Å
221S93.3Very high92.2Very high21 Ų2156.1 Ų56.115%0.14730%0.298CS..EExtended strand (participates in β ladder)trans-149.6147.7-177.6-162.80000110.8G212 F214 I216 V225G212-S221 CarbonylContact C-O 3.52Å; G212-S221 VanDerWaalsContact CA-C 3.43Å; G212-S221 WeakPolarHBondContact CA-O 3.05Å; G212-S221 PolarHBondContact O-N 3.47Å; F214-S221 PolarHBondContact N-O 3.49Å; F214-S221 PolarHBondContact O-N 3.45Å; I216-S221 WeakPolarHBondContact CD1-OG 3.49Å; S221-V225 WeakPolarHBondContact OG-CB 3.26Å; S221-V225 WeakPolarHBondContact OG-CG1 3.35Å
222S93.1Very high93.2Very high35 Ų3556 Ų5625%0.24530%0.301CS..  trans-65.9152.1175.868.30000111.1L224 V225 F226S222-L224 PolarHBondContact O-N 3.3Å; S222-V225 PolarHBondContact O-N 2.94Å; S222-V225 WeakPolarHBondContact OG-CG2 3.22Å; S222-F226 PolarHBondContact O-N 2.9Å; S222-F226 VanDerWaalsContact O-N 3.14Å
223G94Very high93.8Very high0 Ų056.7 Ų56.70%031%0.307CS..Hα-helixtrans-60.1-32.1177.800000113.1Y176 I208 F214 F226 F227Y176-G223 WeakPolarHBondContact CE2-O 3.48Å; Y176-G223 WeakPolarHBondContact OH-CA 3.32Å; Y176-G223 PolarHBondContact OH-O 2.87Å; I208-G223 PolarHBondContact O-N 3.47Å; F214-G223 VanDerWaalsContact CD2-CA 3.44Å; G223-F226 PolarHBondContact O-N 3.31Å; G223-F227 VanDerWaalsContact O-CB 3.25Å; G223-F227 WeakPolarHBondContact O-CB 3.49Å; G223-F227 PolarHBondContact O-N 3.47Å
224L93.4Very high94.1Very high113 Ų11355.3 Ų55.359%0.59230%0.3SS*.Hα-helixtrans-62.8-46.3176.2-175.370.5000111.6S222 F227 I228S222-L224 PolarHBondContact O-N 3.3Å; L224-F227 PolarHBondContact O-N 3.31Å; L224-I228 HydrophobicContact CD1-CD1 4.37Å; L224-I228 HydrophobicContact CG-CD1 4.01Å; L224-I228 VanDerWaalsContact O-CG1 3.28Å; L224-I228 WeakPolarHBondContact O-CG1 3.46Å; L224-I228 PolarHBondContact O-N 2.89Å
225V94.1Very high94.3Very high62 Ų6260.3 Ų60.338%0.37633%0.326SS..Hα-helixtrans-64-45.3178.9173.30000110.3I216 S221 S222 F227 I228 I229I216-V225 HydrophobicContact CD1-CG1 3.89Å; S221-V225 WeakPolarHBondContact OG-CB 3.26Å; S221-V225 WeakPolarHBondContact OG-CG1 3.35Å; S222-V225 PolarHBondContact O-N 2.94Å; S222-V225 WeakPolarHBondContact OG-CG2 3.22Å; V225-F227 PolarHBondContact O-N 3.45Å; V225-I228 PolarHBondContact O-N 3.45Å; V225-I229 HydrophobicContact CG1-CD1 3.95Å; V225-I229 WeakPolarHBondContact O-CG1 3.35Å; V225-I229 PolarHBondContact O-N 3.01Å; V225-I229 VanDerWaalsContact O-N 3.09Å
226F95.3Very high94.5Very high1 Ų158.4 Ų58.40%0.00432%0.322CS..Hα-helixtrans-56-50.3174172.5-101.3000111.8I39 S43 Y176 F214 S222 G223 I228 I229 V230I39-F226 HydrophobicContact CG2-CE2 4.34Å; S43-F226 WeakPolarHBondContact OG-CE2 3.35Å; Y176-F226 HydrophobicContact CD2-CD1 4.07Å; Y176-F226 HydrophobicContact CD2-CE1 4.34Å; Y176-F226 HydrophobicContact CE2-CD1 4.35Å; F214-F226 HydrophobicContact CB-CB 3.9Å; F214-F226 HydrophobicContact CB-CD2 4.41Å; F214-F226 HydrophobicContact CB-CG 4.14Å; F214-F226 HydrophobicContact CD1-CB 4.03Å; F214-F226 AromaticContact CD1-CD1 3.42Å; F214-F226 HydrophobicContact CD1-CD1 3.42Å; F214-F226 VanDerWaalsContact CD1-CD1 3.42Å; F214-F226 AromaticContact CD1-CD2 3.88Å; F214-F226 HydrophobicContact CD1-CD2 3.88Å; F214-F226 AromaticContact CD1-CE1 3.78Å; F214-F226 HydrophobicContact CD1-CE1 3.78Å; F214-F226 HydrophobicContact CD1-CE2 4.22Å; F214-F226 AromaticContact CD1-CG 3.47Å; F214-F226 HydrophobicContact CD1-CG 3.47Å; F214-F226 VanDerWaalsContact CD1-CG 3.47Å; F214-F226 HydrophobicContact CD1-CZ 4.15Å; F214-F226 HydrophobicContact CD2-CB 4.42Å; F214-F226 AromaticContact CE1-CD1 3.41Å; F214-F226 HydrophobicContact CE1-CD1 3.41Å; F214-F226 VanDerWaalsContact CE1-CD1 3.41Å; F214-F226 AromaticContact CE1-CE1 3.53Å; F214-F226 HydrophobicContact CE1-CE1 3.53Å; F214-F226 AromaticContact CE1-CG 3.98Å; F214-F226 HydrophobicContact CE1-CG 3.98Å; F214-F226 HydrophobicContact CE1-CZ 4.2Å; F214-F226 HydrophobicContact CG-CB 3.86Å; F214-F226 HydrophobicContact CG-CD1 4.08Å; F214-F226 HydrophobicContact CG-CD2 4.42Å; F214-F226 AromaticContact CG-CG 3.85Å; F214-F226 HydrophobicContact CG-CG 3.85Å; F214-F226 HydrophobicContact CZ-CD1 4.06Å; F214-F226 HydrophobicContact CZ-CE1 4.41Å; S222-F226 PolarHBondContact O-N 2.9Å; S222-F226 VanDerWaalsContact O-N 3.14Å; G223-F226 PolarHBondContact O-N 3.31Å; F226-I228 PolarHBondContact O-N 3.28Å; F226-I229 PolarHBondContact O-N 3.5Å; F226-V230 HydrophobicContact CD1-CG2 4.38Å; F226-V230 HydrophobicContact CD2-CG2 4.2Å; F226-V230 HydrophobicContact CE1-CG2 3.92Å; F226-V230 HydrophobicContact CE2-CG2 3.7Å; F226-V230 HydrophobicContact CZ-CG2 3.56Å; F226-V230 WeakPolarHBondContact O-CG2 3.25Å; F226-V230 PolarHBondContact O-N 2.92Å
227F95.7Very high94.7Very high39 Ų3957.7 Ų57.717%0.17132%0.318CS..Hα-helixtrans-61.3-43.2-178.5-178.5-107000112.3A173 Y176 Y177 G223 L224 V225 I229 V230 I231A173-F227 HydrophobicContact CB-CE2 4.27Å; Y176-F227 HydrophobicContact CD1-CB 4.38Å; Y176-F227 AromaticContact CD1-CD2 3.64Å; Y176-F227 HydrophobicContact CD1-CD2 3.64Å; Y176-F227 HydrophobicContact CD1-CE2 4.19Å; Y176-F227 HydrophobicContact CD1-CG 4.11Å; Y176-F227 HydrophobicContact CD2-CB 4.31Å; Y176-F227 HydrophobicContact CD2-CD2 4.36Å; Y176-F227 HydrophobicContact CE1-CB 4.2Å; Y176-F227 HydrophobicContact CE1-CD2 4.2Å; Y176-F227 HydrophobicContact CE1-CG 4.2Å; Y176-F227 HydrophobicContact CE2-CB 4.12Å; Y176-F227 HydrophobicContact CG-CB 4.44Å; Y176-F227 AromaticContact CG-CD2 3.74Å; Y176-F227 HydrophobicContact CG-CD2 3.74Å; Y176-F227 HydrophobicContact CG-CE2 4.47Å; Y176-F227 HydrophobicContact CG-CG 4.39Å; Y177-F227 HydrophobicContact CD2-CE2 4.35Å; Y177-F227 HydrophobicContact CE2-CD2 4.24Å; Y177-F227 HydrophobicContact CE2-CE1 4.36Å; Y177-F227 AromaticContact CE2-CE2 3.51Å; Y177-F227 HydrophobicContact CE2-CE2 3.51Å; Y177-F227 AromaticContact CE2-CZ 3.59Å; Y177-F227 HydrophobicContact CE2-CZ 3.59Å; G223-F227 VanDerWaalsContact O-CB 3.25Å; G223-F227 WeakPolarHBondContact O-CB 3.49Å; G223-F227 PolarHBondContact O-N 3.47Å; L224-F227 PolarHBondContact O-N 3.31Å; V225-F227 PolarHBondContact O-N 3.45Å; F227-I229 PolarHBondContact O-N 2.72Å; F227-V230 PolarHBondContact O-N 2.81Å; F227-I231 HydrophobicContact CD1-CG1 4.35Å; F227-I231 HydrophobicContact CD2-CG1 4.23Å; F227-I231 HydrophobicContact CE1-CG1 3.87Å; F227-I231 HydrophobicContact CE2-CD1 4.03Å; F227-I231 HydrophobicContact CE2-CG1 3.72Å; F227-I231 HydrophobicContact CZ-CD1 3.9Å; F227-I231 HydrophobicContact CZ-CG1 3.52Å; F227-I231 WeakPolarHBondContact O-CG1 3.31Å; F227-I231 PolarHBondContact O-N 2.93Å
228I96.1Very high95Very high89 Ų8957.9 Ų57.946%0.45632%0.319SS..Hα-helixtrans-59.9-46.5176.2-70.5167.8000110.6L224 V225 F226 V230 I231 V232L224-I228 HydrophobicContact CD1-CD1 4.37Å; L224-I228 HydrophobicContact CG-CD1 4.01Å; L224-I228 VanDerWaalsContact O-CG1 3.28Å; L224-I228 WeakPolarHBondContact O-CG1 3.46Å; L224-I228 PolarHBondContact O-N 2.89Å; V225-I228 PolarHBondContact O-N 3.45Å; F226-I228 PolarHBondContact O-N 3.28Å; I228-V230 PolarHBondContact O-N 2.92Å; I228-I231 PolarHBondContact O-N 3.45Å; I228-V232 HydrophobicContact CG2-CG2 4.14Å; I228-V232 VanDerWaalsContact O-CB 3.31Å; I228-V232 WeakPolarHBondContact O-CB 3.43Å; I228-V232 VanDerWaalsContact O-CG2 3.24Å; I228-V232 WeakPolarHBondContact O-CG2 3.49Å; I228-V232 PolarHBondContact O-N 3.18Å
229I95.2Very high95.4Very high55 Ų5558.8 Ų58.828%0.28232%0.318SS..Hα-helixtrans-61.9-44.2179.3-71.7164.7000111I39 I216 V225 F226 F227 G233I39-I229 HydrophobicContact CD1-CG2 4.08Å; I216-I229 HydrophobicContact CD1-CD1 3.51Å; I216-I229 HydrophobicContact CG1-CD1 4.5Å; V225-I229 HydrophobicContact CG1-CD1 3.95Å; V225-I229 WeakPolarHBondContact O-CG1 3.35Å; V225-I229 PolarHBondContact O-N 3.01Å; V225-I229 VanDerWaalsContact O-N 3.09Å; F226-I229 PolarHBondContact O-N 3.5Å; F227-I229 PolarHBondContact O-N 2.72Å; I229-G233 PolarHBondContact O-N 3.21Å
230V96.6Very high95.6Very high1 Ų155.1 Ų55.11%0.00630%0.298CS..Hα-helixtrans-63.4-46.3179172.30000111.2L40 S169 L172 A173 F226 F227 I228 C234L40-V230 HydrophobicContact CD2-CG2 4.28Å; S169-V230 WeakPolarHBondContact O-CG1 3.31Å; L172-V230 HydrophobicContact CB-CG1 4Å; A173-V230 HydrophobicContact CB-CG1 4.09Å; F226-V230 HydrophobicContact CD1-CG2 4.38Å; F226-V230 HydrophobicContact CD2-CG2 4.2Å; F226-V230 HydrophobicContact CE1-CG2 3.92Å; F226-V230 HydrophobicContact CE2-CG2 3.7Å; F226-V230 HydrophobicContact CZ-CG2 3.56Å; F226-V230 WeakPolarHBondContact O-CG2 3.25Å; F226-V230 PolarHBondContact O-N 2.92Å; F227-V230 PolarHBondContact O-N 2.81Å; I228-V230 PolarHBondContact O-N 2.92Å; V230-C234 WeakPolarHBondContact O-CB 3.5Å; V230-C234 PolarHBondContact O-N 3.07Å
231I96.9Very high95.8Very high59 Ų5951 Ų5130%0.30328%0.276SS..Hα-helixtrans-67.3-47.9179.6-70.8-67.2000111.7A173 F227 I228 G233 C234 L235A173-I231 HydrophobicContact CB-CD1 3.47Å; A173-I231 VanDerWaalsContact CB-CD1 3.47Å; A173-I231 HydrophobicContact CB-CG1 4.32Å; F227-I231 HydrophobicContact CD1-CG1 4.35Å; F227-I231 HydrophobicContact CD2-CG1 4.23Å; F227-I231 HydrophobicContact CE1-CG1 3.87Å; F227-I231 HydrophobicContact CE2-CD1 4.03Å; F227-I231 HydrophobicContact CE2-CG1 3.72Å; F227-I231 HydrophobicContact CZ-CD1 3.9Å; F227-I231 HydrophobicContact CZ-CG1 3.52Å; F227-I231 WeakPolarHBondContact O-CG1 3.31Å; F227-I231 PolarHBondContact O-N 2.93Å; I228-I231 PolarHBondContact O-N 3.45Å; I231-G233 VanDerWaalsContact C-N 3.32Å; I231-G233 PolarHBondContact O-N 3.24Å; I231-C234 WeakPolarHBondContact O-CB 3.13Å; I231-C234 PolarHBondContact O-N 3.29Å; I231-L235 HydrophobicContact CG2-CD1 4.17Å; I231-L235 WeakPolarHBondContact O-CG 3.22Å; I231-L235 PolarHBondContact O-N 2.81Å
232V96.6Very high96.1Very high88 Ų8852.3 Ų52.353%0.53329%0.288SS..Hα-helixtrans-62.5-42.8179.2172.20000110.4I228 L235 F236I228-V232 HydrophobicContact CG2-CG2 4.14Å; I228-V232 VanDerWaalsContact O-CB 3.31Å; I228-V232 WeakPolarHBondContact O-CB 3.43Å; I228-V232 VanDerWaalsContact O-CG2 3.24Å; I228-V232 WeakPolarHBondContact O-CG2 3.49Å; I228-V232 PolarHBondContact O-N 3.18Å; V232-L235 PolarHBondContact O-N 3.12Å; V232-F236 WeakPolarHBondContact O-CB 3.41Å; V232-F236 PolarHBondContact O-N 3.14Å
233G95.3Very high96.3Very high18 Ų1858.3 Ų58.319%0.18631%0.31CS..Hα-helixtrans-61.8-41.3173.400000112.8I229 I231 F236 T237I229-G233 PolarHBondContact O-N 3.21Å; I231-G233 VanDerWaalsContact C-N 3.32Å; I231-G233 PolarHBondContact O-N 3.24Å; G233-F236 PolarHBondContact O-N 2.94Å; G233-T237 WeakPolarHBondContact O-CB 3.43Å; G233-T237 WeakPolarHBondContact O-CG2 3.38Å; G233-T237 PolarHBondContact O-N 2.74Å; G233-T237 PolarHBondContact O-OG1 3.02Å
234C97.5Very high96.5Very high14 Ų1459.7 Ų59.710%0.09532%0.317CS..Hα-helixtrans-60.5-49175.8-170.80000111.5V230 I231 F236 T237 F238V230-C234 WeakPolarHBondContact O-CB 3.5Å; V230-C234 PolarHBondContact O-N 3.07Å; I231-C234 WeakPolarHBondContact O-CB 3.13Å; I231-C234 PolarHBondContact O-N 3.29Å; C234-F236 PolarHBondContact O-N 3.14Å; C234-T237 PolarHBondContact O-OG1 3.35Å; C234-F238 WeakPolarHBondContact O-CB 3.42Å; C234-F238 PolarHBondContact O-N 2.87Å
235L97.3Very high96.7Very high107 Ų10757.1 Ų57.156%0.5631%0.306SS*.Hα-helixtrans-62.9-43.5179-67.6174.7000111.4I231 V232 F238 C239I231-L235 HydrophobicContact CG2-CD1 4.17Å; I231-L235 WeakPolarHBondContact O-CG 3.22Å; I231-L235 PolarHBondContact O-N 2.81Å; V232-L235 PolarHBondContact O-N 3.12Å; L235-F238 PolarHBondContact O-N 3.28Å; L235-C239 WeakPolarHBondContact O-CB 3.37Å; L235-C239 PolarHBondContact O-N 3.01Å; L235-C239 PolarHBondContact O-SG 3.48Å
236F96.1Very high96.9Very high107 Ų10760.3 Ų60.347%0.46932%0.317SS..Hα-helixtrans-67.6-43.7-178.9-168.8-127.2000112.2M31 F32 V232 G233 C234 C239 I240M31-F236 HydrophobicContact CE-CD1 4.23Å; M31-F236 HydrophobicContact CE-CE1 3.85Å; F32-F236 AromaticContact CE1-CD1 3.43Å; F32-F236 HydrophobicContact CE1-CD1 3.43Å; F32-F236 VanDerWaalsContact CE1-CD1 3.43Å; F32-F236 AromaticContact CE1-CE1 3.75Å; F32-F236 HydrophobicContact CE1-CE1 3.75Å; F32-F236 HydrophobicContact CE2-CE1 4.07Å; F32-F236 AromaticContact CZ-CD1 3.29Å; F32-F236 HydrophobicContact CZ-CD1 3.29Å; F32-F236 AromaticContact CZ-CE1 3.16Å; F32-F236 HydrophobicContact CZ-CE1 3.16Å; F32-F236 HydrophobicContact CZ-CG 4.36Å; F32-F236 HydrophobicContact CZ-CZ 4.18Å; V232-F236 WeakPolarHBondContact O-CB 3.41Å; V232-F236 PolarHBondContact O-N 3.14Å; G233-F236 PolarHBondContact O-N 2.94Å; C234-F236 PolarHBondContact O-N 3.14Å; F236-C239 PolarHBondContact O-N 3.27Å; F236-I240 HydrophobicContact CD1-CD1 4.5Å; F236-I240 HydrophobicContact CE1-CD1 4.04Å; F236-I240 HydrophobicContact CE2-CD1 4.25Å; F236-I240 HydrophobicContact CZ-CD1 3.89Å; F236-I240 WeakPolarHBondContact O-CG1 3.2Å; F236-I240 PolarHBondContact O-N 3.5Å
237T96.8Very high97Very high7 Ų762.9 Ų62.94%0.04333%0.33CS..Hα-helixtrans-64.8-42.9175.352.60000111.7F32 L162 T166 G233 C234 C239 I240 D241F32-T237 HydrophobicContact CD1-CG2 3.86Å; F32-T237 HydrophobicContact CE1-CG2 3.66Å; L162-T237 HydrophobicContact CD2-CG2 4.06Å; T166-T237 WeakPolarHBondContact OG1-CB 3.46Å; T166-T237 PolarHBondContact OG1-OG1 3.34Å; G233-T237 WeakPolarHBondContact O-CB 3.43Å; G233-T237 WeakPolarHBondContact O-CG2 3.38Å; G233-T237 PolarHBondContact O-N 2.74Å; G233-T237 PolarHBondContact O-OG1 3.02Å; C234-T237 PolarHBondContact O-OG1 3.35Å; T237-C239 PolarHBondContact O-N 2.95Å; T237-I240 PolarHBondContact O-N 2.82Å; T237-D241 WeakPolarHBondContact O-CB 3.32Å; T237-D241 PolarHBondContact O-N 3.49Å
238F97.9Very high97.1Very high122 Ų12262.7 Ų62.754%0.53533%0.33SS..Hα-helixtrans-59-45.8176.8176.8-100.2000112.3T166 C234 L235 I240 D241 A242T166-F238 HydrophobicContact CG2-CB 3.85Å; T166-F238 HydrophobicContact CG2-CD2 4.13Å; T166-F238 HydrophobicContact CG2-CG 4.5Å; T166-F238 PolarHBondContact OG1-N 3.41Å; C234-F238 WeakPolarHBondContact O-CB 3.42Å; C234-F238 PolarHBondContact O-N 2.87Å; L235-F238 PolarHBondContact O-N 3.28Å; F238-I240 PolarHBondContact O-N 3.03Å; F238-D241 PolarHBondContact O-N 3.25Å; F238-A242 WeakPolarHBondContact O-CB 3.39Å; F238-A242 PolarHBondContact O-N 3.22Å
239C97.6Very high97.2Very high66 Ų6663.4 Ų63.445%0.44633%0.334SS..Hα-helixtrans-59.6-45.6178.6-74.90000112.1L235 F236 T237 F243L235-C239 WeakPolarHBondContact O-CB 3.37Å; L235-C239 PolarHBondContact O-N 3.01Å; L235-C239 PolarHBondContact O-SG 3.48Å; F236-C239 PolarHBondContact O-N 3.27Å; T237-C239 PolarHBondContact O-N 2.95Å; C239-F243 WeakPolarHBondContact O-CD2 3.46Å; C239-F243 PolarHBondContact O-N 2.91Å
240I96.6Very high97.4Very high53 Ų5363.1 Ų63.127%0.27233%0.331SS..Hα-helixtrans-68.3-42.8178.8-62.5178.9000110.7F32 L162 F236 T237 F238 A242 F243 L244F32-I240 HydrophobicContact CE2-CD1 3.63Å; F32-I240 HydrophobicContact CZ-CD1 3.46Å; F32-I240 VanDerWaalsContact CZ-CD1 3.46Å; L162-I240 HydrophobicContact CD1-CB 4.18Å; L162-I240 HydrophobicContact CD1-CG2 3.56Å; F236-I240 HydrophobicContact CD1-CD1 4.5Å; F236-I240 HydrophobicContact CE1-CD1 4.04Å; F236-I240 HydrophobicContact CE2-CD1 4.25Å; F236-I240 HydrophobicContact CZ-CD1 3.89Å; F236-I240 WeakPolarHBondContact O-CG1 3.2Å; F236-I240 PolarHBondContact O-N 3.5Å; T237-I240 PolarHBondContact O-N 2.82Å; F238-I240 PolarHBondContact O-N 3.03Å; I240-A242 VanDerWaalsContact C-N 3.32Å; I240-A242 PolarHBondContact O-N 2.98Å; I240-F243 PolarHBondContact O-N 3.39Å; I240-F243 VanDerWaalsContact O-N 3.17Å; I240-L244 HydrophobicContact CG2-CD1 4.4Å; I240-L244 PolarHBondContact O-N 2.94Å
241D97.6Very high97.4Very high15 Ų1563.7 Ų63.78%0.0833%0.334CS..Hα-helixtrans-61.4-42179.2-162.533.1000111.3C159 L162 S163 T237 F238 F243 L244 V245C159-D241 WeakPolarHBondContact CA-OD1 3.3Å; C159-D241 PolarHBondContact SG-OD1 2.84Å; L162-D241 HydrophobicContact CB-CB 4.01Å; S163-D241 WeakPolarHBondContact CA-OD2 3.49Å; S163-D241 WeakPolarHBondContact CB-OD2 3.44Å; S163-D241 PolarHBondContact N-OD2 2.83Å; S163-D241 PolarHBondContact OG-OD1 2.97Å; S163-D241 PolarHBondContact OG-OD2 2.91Å; T237-D241 WeakPolarHBondContact O-CB 3.32Å; T237-D241 PolarHBondContact O-N 3.49Å; F238-D241 PolarHBondContact O-N 3.25Å; D241-F243 VanDerWaalsContact C-N 3.31Å; D241-F243 PolarHBondContact O-N 2.84Å; D241-L244 CarbonylContact O-C 3.58Å; D241-L244 PolarHBondContact O-N 3.42Å; D241-V245 WeakPolarHBondContact O-CG2 3.47Å; D241-V245 PolarHBondContact O-N 3.43Å
242A98Very high97.5Very high48 Ų4865.3 Ų65.340%0.39734%0.342SS..Hα-helixtrans-57.8-40.5174.700000112.8F238 I240 H246F238-A242 WeakPolarHBondContact O-CB 3.39Å; F238-A242 PolarHBondContact O-N 3.22Å; I240-A242 VanDerWaalsContact C-N 3.32Å; I240-A242 PolarHBondContact O-N 2.98Å; A242-H246 WeakPolarHBondContact O-CB 3.44Å; A242-H246 PolarHBondContact O-N 3.45Å
243F97.5Very high97.5Very high160 Ų16066 Ų6670%0.70234%0.336SS*.Hα-helixtrans-66.6-37.9173.9-78.9-65.6000112.6C239 I240 D241 L247C239-F243 WeakPolarHBondContact O-CD2 3.46Å; C239-F243 PolarHBondContact O-N 2.91Å; I240-F243 PolarHBondContact O-N 3.39Å; I240-F243 VanDerWaalsContact O-N 3.17Å; D241-F243 VanDerWaalsContact C-N 3.31Å; D241-F243 PolarHBondContact O-N 2.84Å; F243-L247 WeakPolarHBondContact O-CB 3.38Å; F243-L247 PolarHBondContact O-N 3.23Å
244L97.8Very high97.6Very high30 Ų3065.2 Ų65.216%0.15733%0.327CS..Hα-helixtrans-69.4-43.3177-69.8178.2000112A158 C159 L162 I240 D241 H246 L247 I248A158-L244 HydrophobicContact CB-CD1 3.81Å; C159-L244 HydrophobicContact CB-CB 4.12Å; C159-L244 HydrophobicContact CB-CD1 4.4Å; L162-L244 HydrophobicContact CD1-CD1 3.68Å; I240-L244 HydrophobicContact CG2-CD1 4.4Å; I240-L244 PolarHBondContact O-N 2.94Å; D241-L244 CarbonylContact O-C 3.58Å; D241-L244 PolarHBondContact O-N 3.42Å; L244-H246 VanDerWaalsContact C-N 3.31Å; L244-H246 PolarHBondContact O-N 2.92Å; L244-L247 WeakPolarHBondContact O-CB 3.28Å; L244-L247 PolarHBondContact O-N 3.17Å; L244-L247 VanDerWaalsContact O-N 3.14Å; L244-I248 WeakPolarHBondContact O-CG1 3.06Å; L244-I248 PolarHBondContact O-N 3.5Å
245V98.4Very high97.5Very high59 Ų5973.6 Ų73.636%0.35836%0.358SS..Hα-helixtrans-57.5-47173.4171.40000110C159 D241 L247 I248 I249C159-V245 VanDerWaalsContact SG-CG2 3.56Å; D241-V245 WeakPolarHBondContact O-CG2 3.47Å; D241-V245 PolarHBondContact O-N 3.43Å; V245-L247 VanDerWaalsContact C-N 3.34Å; V245-L247 PolarHBondContact O-N 2.98Å; V245-I248 PolarHBondContact O-N 2.86Å; V245-I249 HydrophobicContact CG1-CD1 3.82Å; V245-I249 HydrophobicContact CG1-CG1 4.49Å; V245-I249 VanDerWaalsContact O-CG1 3.3Å; V245-I249 WeakPolarHBondContact O-CG1 3.48Å; V245-I249 PolarHBondContact O-N 2.63Å
246H98.2Very high97.5Very high129 Ų12974.6 Ų74.660%0.59736%0.363SS*.Hα-helixtrans-59.9-42.4175.3179.6-90.7000112.3A242 L244 I249 F250A242-H246 WeakPolarHBondContact O-CB 3.44Å; A242-H246 PolarHBondContact O-N 3.45Å; L244-H246 VanDerWaalsContact C-N 3.31Å; L244-H246 PolarHBondContact O-N 2.92Å; H246-I249 PolarHBondContact O-N 2.88Å; H246-F250 WeakPolarHBondContact O-CB 3.49Å; H246-F250 PolarHBondContact O-N 2.75Å
247L97.6Very high97.6Very high54 Ų5475.7 Ų75.728%0.28337%0.367SS..Hα-helixtrans-63.8-41.7176.7-178.362.8000112.2I155 F243 L244 V245 F250 H251I155-L247 HydrophobicContact CG2-CD2 3.88Å; F243-L247 WeakPolarHBondContact O-CB 3.38Å; F243-L247 PolarHBondContact O-N 3.23Å; L244-L247 WeakPolarHBondContact O-CB 3.28Å; L244-L247 PolarHBondContact O-N 3.17Å; L244-L247 VanDerWaalsContact O-N 3.14Å; V245-L247 VanDerWaalsContact C-N 3.34Å; V245-L247 PolarHBondContact O-N 2.98Å; L247-F250 HydrophobicContact CD1-CD1 4.44Å; L247-F250 WeakPolarHBondContact O-CB 3.45Å; L247-F250 PolarHBondContact O-N 3.44Å; L247-H251 PolarHBondContact O-CD2 2.82Å; L247-H251 VanDerWaalsContact O-CD2 3.27Å; L247-H251 PolarHBondContact O-N 2.87Å
248I98.3Very high97.5Very high35 Ų3577.6 Ų77.618%0.17939%0.388CS..Hα-helixtrans-62.7-49.1176.3-70.7165.4000110.1I155 C159 L244 V245 F250 H251 I252I155-I248 HydrophobicContact CB-CG1 4.32Å; I155-I248 HydrophobicContact CD1-CG1 3.87Å; I155-I248 HydrophobicContact CG1-CG1 4Å; C159-I248 HydrophobicContact CB-CD1 3.59Å; L244-I248 WeakPolarHBondContact O-CG1 3.06Å; L244-I248 PolarHBondContact O-N 3.5Å; V245-I248 PolarHBondContact O-N 2.86Å; I248-F250 VanDerWaalsContact C-N 3.27Å; I248-F250 PolarHBondContact O-N 2.93Å; I248-H251 PolarHBondContact O-N 3.18Å; I248-H251 VanDerWaalsContact O-N 3.15Å; I248-I252 HydrophobicContact CG2-CD1 3.75Å; I248-I252 HydrophobicContact CG2-CG1 4.39Å; I248-I252 WeakPolarHBondContact O-CG1 3.24Å; I248-I252 PolarHBondContact O-N 3.28Å
249I98.3Very high97.4Very high104 Ų10473.4 Ų73.453%0.53337%0.371SS..Hα-helixtrans-57.3-43.2176.6-68.6167.6000110.5V245 H246 I252 Y253V245-I249 HydrophobicContact CG1-CD1 3.82Å; V245-I249 HydrophobicContact CG1-CG1 4.49Å; V245-I249 VanDerWaalsContact O-CG1 3.3Å; V245-I249 WeakPolarHBondContact O-CG1 3.48Å; V245-I249 PolarHBondContact O-N 2.63Å; H246-I249 PolarHBondContact O-N 2.88Å; I249-I252 PolarHBondContact O-N 3.02Å; I249-Y253 WeakPolarHBondContact O-CB 3.31Å; I249-Y253 PolarHBondContact O-N 3.26Å
250F98.1Very high97.3Very high49 Ų4971 Ų7122%0.21535%0.354CS..Hα-helixtrans-60.5-46.6176.2173.5-108.5000112.2H246 L247 I248 I252 Y253 L254 T261 F264H246-F250 WeakPolarHBondContact O-CB 3.49Å; H246-F250 PolarHBondContact O-N 2.75Å; L247-F250 HydrophobicContact CD1-CD1 4.44Å; L247-F250 WeakPolarHBondContact O-CB 3.45Å; L247-F250 PolarHBondContact O-N 3.44Å; I248-F250 VanDerWaalsContact C-N 3.27Å; I248-F250 PolarHBondContact O-N 2.93Å; F250-I252 PolarHBondContact O-N 3.39Å; F250-Y253 WeakPolarHBondContact O-CB 3.34Å; F250-Y253 PolarHBondContact O-N 2.86Å; F250-L254 HydrophobicContact CD1-CD1 4.03Å; F250-L254 HydrophobicContact CD1-CG 4.49Å; F250-L254 HydrophobicContact CD2-CG 4.5Å; F250-L254 HydrophobicContact CE1-CD1 3.42Å; F250-L254 VanDerWaalsContact CE1-CD1 3.42Å; F250-L254 HydrophobicContact CE1-CG 4.1Å; F250-L254 HydrophobicContact CE2-CD1 4.26Å; F250-L254 HydrophobicContact CE2-CD2 4.03Å; F250-L254 HydrophobicContact CE2-CG 4.1Å; F250-L254 HydrophobicContact CZ-CD1 3.55Å; F250-L254 HydrophobicContact CZ-CD2 3.93Å; F250-L254 HydrophobicContact CZ-CG 3.89Å; F250-L254 WeakPolarHBondContact O-CG 3.48Å; F250-L254 PolarHBondContact O-N 3.39Å; F250-T261 HydrophobicContact CE1-CG2 4.08Å; F250-T261 HydrophobicContact CZ-CG2 4.34Å; F250-F264 AromaticContact CE2-CD1 3.9Å; F250-F264 HydrophobicContact CE2-CD1 3.9Å; F250-F264 AromaticContact CE2-CE1 3.84Å; F250-F264 HydrophobicContact CE2-CE1 3.84Å; F250-F264 HydrophobicContact CE2-CG 4.28Å; F250-F264 HydrophobicContact CE2-CZ 4.16Å; F250-F264 AromaticContact CZ-CD1 3.88Å; F250-F264 HydrophobicContact CZ-CD1 3.88Å; F250-F264 HydrophobicContact CZ-CE1 4.2Å; F250-F264 HydrophobicContact CZ-CG 4.33Å
251H97.5Very high97.3Very high14 Ų1469.2 Ų69.27%0.06535%0.346CS..Hα-helixtrans-68.2-33.4177.9-82.6-76.3000113.2D133 Y148 F151 L247 I248 L254 Y255 T261D133-H251 IonicContact OD2-CE1 3.01Å; Y148-H251 PolarHBondContact OH-ND1 3.47Å; F151-H251 AromaticContact CE1-CE1 3.7Å; F151-H251 AromaticContact CE1-NE2 3.55Å; F151-H251 AromaticContact CZ-NE2 3.77Å; L247-H251 PolarHBondContact O-CD2 2.82Å; L247-H251 VanDerWaalsContact O-CD2 3.27Å; L247-H251 PolarHBondContact O-N 2.87Å; I248-H251 PolarHBondContact O-N 3.18Å; I248-H251 VanDerWaalsContact O-N 3.15Å; H251-L254 PolarHBondContact O-N 3.1Å; H251-Y255 WeakPolarHBondContact O-CB 3.42Å; H251-Y255 PolarHBondContact O-N 3.1Å; H251-T261 PolarHBondContact CE1-OG1 3.07Å
252I97.7Very high97.3Very high92 Ų9272.7 Ų72.747%0.47236%0.358SS..Hα-helixtrans-62.3-45.2170.2-68.7167.5000110.2I248 I249 F250 L254 Y255 I256I248-I252 HydrophobicContact CG2-CD1 3.75Å; I248-I252 HydrophobicContact CG2-CG1 4.39Å; I248-I252 WeakPolarHBondContact O-CG1 3.24Å; I248-I252 PolarHBondContact O-N 3.28Å; I249-I252 PolarHBondContact O-N 3.02Å; F250-I252 PolarHBondContact O-N 3.39Å; I252-L254 PolarHBondContact O-N 3.15Å; I252-Y255 WeakPolarHBondContact O-CB 3.44Å; I252-Y255 PolarHBondContact O-N 2.92Å; I252-I256 HydrophobicContact CG2-CD1 3.88Å; I252-I256 WeakPolarHBondContact O-CG1 3.43Å; I252-I256 PolarHBondContact O-N 3.23Å
253Y98Very high97.2Very high103 Ų10372.8 Ų72.840%0.40435%0.35SS..Hα-helixtrans-58.7-46175.6166.2-93.5000112I249 F250 Y255 I256 K257 F264I249-Y253 WeakPolarHBondContact O-CB 3.31Å; I249-Y253 PolarHBondContact O-N 3.26Å; F250-Y253 WeakPolarHBondContact O-CB 3.34Å; F250-Y253 PolarHBondContact O-N 2.86Å; Y253-Y255 VanDerWaalsContact C-N 3.33Å; Y253-Y255 PolarHBondContact O-N 3.18Å; Y253-I256 PolarHBondContact O-N 3.33Å; Y253-K257 HydrophobicContact CE1-CG 4.37Å; Y253-K257 HydrophobicContact CE2-CG 4.03Å; Y253-K257 PolarHBondContact O-N 2.79Å; Y253-K257 VanDerWaalsContact O-N 3.08Å; Y253-F264 HydrophobicContact CE1-CD2 4.24Å; Y253-F264 HydrophobicContact CE1-CE2 4.08Å
254L97.2Very high97.2Very high1 Ų167.8 Ų67.81%0.00533%0.329CS..Hα-helixtrans-61.2-42.2176.4-68.4-179000112F250 H251 I252 K257 G258 M259 T261 F264F250-L254 HydrophobicContact CD1-CD1 4.03Å; F250-L254 HydrophobicContact CD1-CG 4.49Å; F250-L254 HydrophobicContact CD2-CG 4.5Å; F250-L254 HydrophobicContact CE1-CD1 3.42Å; F250-L254 VanDerWaalsContact CE1-CD1 3.42Å; F250-L254 HydrophobicContact CE1-CG 4.1Å; F250-L254 HydrophobicContact CE2-CD1 4.26Å; F250-L254 HydrophobicContact CE2-CD2 4.03Å; F250-L254 HydrophobicContact CE2-CG 4.1Å; F250-L254 HydrophobicContact CZ-CD1 3.55Å; F250-L254 HydrophobicContact CZ-CD2 3.93Å; F250-L254 HydrophobicContact CZ-CG 3.89Å; F250-L254 WeakPolarHBondContact O-CG 3.48Å; F250-L254 PolarHBondContact O-N 3.39Å; H251-L254 PolarHBondContact O-N 3.1Å; I252-L254 PolarHBondContact O-N 3.15Å; L254-K257 CarbonylContact O-C 3.55Å; L254-K257 PolarHBondContact O-N 2.82Å; L254-G258 PolarHBondContact O-N 2.91Å; L254-M259 HydrophobicContact CB-CG 4.44Å; L254-M259 HydrophobicContact CD2-CG 3.74Å; L254-M259 HydrophobicContact CD2-SD 4.02Å; L254-M259 PolarHBondContact O-N 3.41Å; L254-M259 VanDerWaalsContact O-N 3.14Å; L254-T261 VanDerWaalsContact CD1-OG1 3.31Å; L254-T261 WeakPolarHBondContact CD1-OG1 3.41Å; L254-F264 HydrophobicContact CD2-CB 3.67Å; L254-F264 HydrophobicContact CD2-CD2 4.08Å; L254-F264 HydrophobicContact CD2-CG 3.95Å
255Y95.7Very high97.1Very high190 Ų19069.4 Ų69.475%0.74534%0.337SS*.Hα-helixtrans-60.2-47.2176.8179.3-99000111.6H251 I252 Y253 K257 G258H251-Y255 WeakPolarHBondContact O-CB 3.42Å; H251-Y255 PolarHBondContact O-N 3.1Å; I252-Y255 WeakPolarHBondContact O-CB 3.44Å; I252-Y255 PolarHBondContact O-N 2.92Å; Y253-Y255 VanDerWaalsContact C-N 3.33Å; Y253-Y255 PolarHBondContact O-N 3.18Å; Y255-K257 PolarHBondContact O-N 3.1Å; Y255-G258 PolarHBondContact O-N 3.08Å
256I97.5Very high96.9Very high128 Ų12868.6 Ų68.666%0.65633%0.332SS*.Hα-helixtrans-60.5-35.2176.8-67.3165.8000111.5I252 Y253 G258I252-I256 HydrophobicContact CG2-CD1 3.88Å; I252-I256 WeakPolarHBondContact O-CG1 3.43Å; I252-I256 PolarHBondContact O-N 3.23Å; Y253-I256 PolarHBondContact O-N 3.33Å; I256-G258 VanDerWaalsContact C-N 3.31Å
257K96.4Very high96.7Very high130 Ų13066.3 Ų66.357%0.56532%0.323SS*.THydrogen-bonded Turntrans-83.5-1.5177.5-70.2-62.7-175.4-173.90114.3Y253 L254 Y255 M259Y253-K257 HydrophobicContact CE1-CG 4.37Å; Y253-K257 HydrophobicContact CE2-CG 4.03Å; Y253-K257 PolarHBondContact O-N 2.79Å; Y253-K257 VanDerWaalsContact O-N 3.08Å; L254-K257 CarbonylContact O-C 3.55Å; L254-K257 PolarHBondContact O-N 2.82Å; Y255-K257 PolarHBondContact O-N 3.1Å; K257-M259 HydrophobicContact CB-CG 3.8Å; K257-M259 HydrophobicContact CB-SD 3.71Å; K257-M259 HydrophobicContact CG-SD 4.4Å; K257-M259 PolarHBondContact O-N 2.89Å
258G95.2Very high96.5Very high47 Ų4769.2 Ų69.249%0.48534%0.336SS..THydrogen-bonded Turntrans62.526.3179.700000113.8R118 L254 Y255 I256R118-G258 PolarHBondContact NH2-O 2.94Å; L254-G258 PolarHBondContact O-N 2.91Å; Y255-G258 PolarHBondContact O-N 3.08Å; I256-G258 VanDerWaalsContact C-N 3.31Å
259M95.2Very high96.3Very high34 Ų3475.5 Ų75.517%0.16736%0.357CS..  trans-123155.2-172.269.6-174.6-44.800112.1L254 K257 E263 F264 L267L254-M259 HydrophobicContact CB-CG 4.44Å; L254-M259 HydrophobicContact CD2-CG 3.74Å; L254-M259 HydrophobicContact CD2-SD 4.02Å; L254-M259 PolarHBondContact O-N 3.41Å; L254-M259 VanDerWaalsContact O-N 3.14Å; K257-M259 HydrophobicContact CB-CG 3.8Å; K257-M259 HydrophobicContact CB-SD 3.71Å; K257-M259 HydrophobicContact CG-SD 4.4Å; K257-M259 PolarHBondContact O-N 2.89Å; M259-E263 VanDerWaalsContact CA-OE2 3.23Å; M259-E263 WeakPolarHBondContact CA-OE2 3.41Å; M259-E263 HydrophobicContact CB-CB 4.42Å; M259-E263 HydrophobicContact CE-CB 4.41Å; M259-F264 VanDerWaalsContact CE-CA 3.47Å; M259-F264 HydrophobicContact CE-CB 3.75Å; M259-F264 HydrophobicContact CE-CD2 4.23Å; M259-F264 HydrophobicContact SD-CB 4.37Å; M259-F264 HydrophobicContact SD-CD2 4.26Å; M259-L267 HydrophobicContact CE-CD1 3.49Å; M259-L267 VanDerWaalsContact CE-CD1 3.49Å
260T96.6Very high96Very high17 Ų1774.7 Ų74.710%0.10435%0.351CS..  trans-90.2163.617478.30000112.1F132 D133 Y262 E263 F264F132-T260 PolarHBondContact O-OG1 3.38Å; D133-T260 WeakPolarHBondContact OD1-CB 3.29Å; T260-Y262 PolarHBondContact O-N 3Å; T260-Y262 PolarHBondContact OG1-N 3.39Å; T260-E263 PolarHBondContact N-OE2 2.99Å; T260-E263 PolarHBondContact O-N 3.29Å; T260-E263 WeakPolarHBondContact OG1-CG 3.4Å; T260-E263 PolarHBondContact OG1-N 3.43Å; T260-F264 PolarHBondContact O-N 3.47Å
261T97.3Very high95.7Very high14 Ų1480.7 Ų80.79%0.08638%0.377CS..Hα-helixtrans-56.5-40.9173.1-54.50000111D133 H134 F250 H251 L254 F264 I265D133-T261 WeakPolarHBondContact OD1-CB 3.26Å; D133-T261 PolarHBondContact OD1-N 3.34Å; D133-T261 PolarHBondContact OD1-OG1 3.13Å; D133-T261 PolarHBondContact OD2-OG1 3.16Å; H134-T261 HydrophobicContact CB-CG2 4.39Å; F250-T261 HydrophobicContact CE1-CG2 4.08Å; F250-T261 HydrophobicContact CZ-CG2 4.34Å; H251-T261 PolarHBondContact CE1-OG1 3.07Å; L254-T261 VanDerWaalsContact CD1-OG1 3.31Å; L254-T261 WeakPolarHBondContact CD1-OG1 3.41Å; T261-F264 PolarHBondContact O-N 3.47Å; T261-I265 HydrophobicContact CG2-CD1 3.97Å; T261-I265 VanDerWaalsContact O-CG1 3.3Å; T261-I265 WeakPolarHBondContact O-CG1 3.25Å; T261-I265 PolarHBondContact O-N 2.96Å
262Y96.8Very high95.2Very high88 Ų8883.7 Ų83.735%0.34540%0.399SS..Hα-helixtrans-61.1-49175.3175.2-94.9000112K120 F132 D133 T260 F264 I265 V266K120-Y262 HydrophobicContact CD-CD1 4.45Å; K120-Y262 HydrophobicContact CD-CE1 3.8Å; K120-Y262 HydrophobicContact CG-CD1 4.19Å; K120-Y262 HydrophobicContact CG-CE1 3.97Å; F132-Y262 AromaticContact CD1-CD2 3.97Å; F132-Y262 HydrophobicContact CD1-CD2 3.97Å; F132-Y262 AromaticContact CD1-CG 3.89Å; F132-Y262 HydrophobicContact CD1-CG 3.89Å; F132-Y262 AromaticContact CE1-CD2 3.74Å; F132-Y262 HydrophobicContact CE1-CD2 3.74Å; F132-Y262 HydrophobicContact CE1-CG 4.07Å; D133-Y262 VanDerWaalsContact O-CB 3.31Å; D133-Y262 WeakPolarHBondContact O-CB 3.43Å; D133-Y262 PolarHBondContact O-N 3.47Å; T260-Y262 PolarHBondContact O-N 3Å; T260-Y262 PolarHBondContact OG1-N 3.39Å; Y262-F264 VanDerWaalsContact C-N 3.3Å; Y262-F264 PolarHBondContact O-N 3.23Å; Y262-I265 PolarHBondContact O-N 3.05Å; Y262-V266 HydrophobicContact CD1-CG2 4.17Å; Y262-V266 HydrophobicContact CD2-CG2 4.44Å; Y262-V266 HydrophobicContact CE1-CG2 3.73Å; Y262-V266 HydrophobicContact CE2-CG2 4.04Å; Y262-V266 WeakPolarHBondContact O-CG2 3.34Å; Y262-V266 PolarHBondContact O-N 3.43Å
263E96.2Very high94.4Very high50 Ų5083.8 Ų83.823%0.23440%0.401CS..Hα-helixtrans-59.8-42.2178.4-70.2170.2159.400110.9R118 M259 T260 V266 L267R118-E263 IonicContact NE-OE1 3.68Å; R118-E263 PolarHBondContact NE-OE1 3.33Å; R118-E263 IonicContact NH2-OE2 2.85Å; M259-E263 VanDerWaalsContact CA-OE2 3.23Å; M259-E263 WeakPolarHBondContact CA-OE2 3.41Å; M259-E263 HydrophobicContact CB-CB 4.42Å; M259-E263 HydrophobicContact CE-CB 4.41Å; T260-E263 PolarHBondContact N-OE2 2.99Å; T260-E263 PolarHBondContact O-N 3.29Å; T260-E263 WeakPolarHBondContact OG1-CG 3.4Å; T260-E263 PolarHBondContact OG1-N 3.43Å; E263-V266 PolarHBondContact O-N 3.22Å; E263-L267 WeakPolarHBondContact O-CB 3.49Å; E263-L267 VanDerWaalsContact O-CG 3.32Å; E263-L267 WeakPolarHBondContact O-CG 3.28Å; E263-L267 PolarHBondContact O-N 3.41Å
264F96.8Very high92.9Very high56 Ų5682.8 Ų82.825%0.24641%0.407CS..Hα-helixtrans-59.1-48.6175.4177.2-94.4000112.5F250 Y253 L254 M259 T260 T261 Y262 V266 L267 Q268F250-F264 AromaticContact CE2-CD1 3.9Å; F250-F264 HydrophobicContact CE2-CD1 3.9Å; F250-F264 AromaticContact CE2-CE1 3.84Å; F250-F264 HydrophobicContact CE2-CE1 3.84Å; F250-F264 HydrophobicContact CE2-CG 4.28Å; F250-F264 HydrophobicContact CE2-CZ 4.16Å; F250-F264 AromaticContact CZ-CD1 3.88Å; F250-F264 HydrophobicContact CZ-CD1 3.88Å; F250-F264 HydrophobicContact CZ-CE1 4.2Å; F250-F264 HydrophobicContact CZ-CG 4.33Å; Y253-F264 HydrophobicContact CE1-CD2 4.24Å; Y253-F264 HydrophobicContact CE1-CE2 4.08Å; L254-F264 HydrophobicContact CD2-CB 3.67Å; L254-F264 HydrophobicContact CD2-CD2 4.08Å; L254-F264 HydrophobicContact CD2-CG 3.95Å; M259-F264 VanDerWaalsContact CE-CA 3.47Å; M259-F264 HydrophobicContact CE-CB 3.75Å; M259-F264 HydrophobicContact CE-CD2 4.23Å; M259-F264 HydrophobicContact SD-CB 4.37Å; M259-F264 HydrophobicContact SD-CD2 4.26Å; T260-F264 PolarHBondContact O-N 3.47Å; T261-F264 PolarHBondContact O-N 3.47Å; Y262-F264 VanDerWaalsContact C-N 3.3Å; Y262-F264 PolarHBondContact O-N 3.23Å; F264-V266 VanDerWaalsContact C-N 3.34Å; F264-V266 PolarHBondContact O-N 3.09Å; F264-L267 PolarHBondContact O-N 3.44Å; F264-Q268 WeakPolarHBondContact O-CB 3.23Å; F264-Q268 PolarHBondContact O-N 2.85Å
265I95.9Very high91Very high63 Ų6386.7 Ų86.732%0.32344%0.435SS..Hα-helixtrans-63.6-40.6179-68.9167.2000111.2T261 Y262 Q268 R269T261-I265 HydrophobicContact CG2-CD1 3.97Å; T261-I265 VanDerWaalsContact O-CG1 3.3Å; T261-I265 WeakPolarHBondContact O-CG1 3.25Å; T261-I265 PolarHBondContact O-N 2.96Å; Y262-I265 PolarHBondContact O-N 3.05Å; I265-Q268 PolarHBondContact O-N 2.72Å; I265-R269 VanDerWaalsContact O-CG 3.31Å; I265-R269 WeakPolarHBondContact O-CG 3.38Å; I265-R269 PolarHBondContact O-N 3.21Å
266V94.1Very high89Confident42 Ų4281.4 Ų81.426%0.25542%0.422SS..Hα-helixtrans-62.6-47.3177.51700000110.6Y262 E263 F264 Q268 R269 Q270Y262-V266 HydrophobicContact CD1-CG2 4.17Å; Y262-V266 HydrophobicContact CD2-CG2 4.44Å; Y262-V266 HydrophobicContact CE1-CG2 3.73Å; Y262-V266 HydrophobicContact CE2-CG2 4.04Å; Y262-V266 WeakPolarHBondContact O-CG2 3.34Å; Y262-V266 PolarHBondContact O-N 3.43Å; E263-V266 PolarHBondContact O-N 3.22Å; F264-V266 VanDerWaalsContact C-N 3.34Å; F264-V266 PolarHBondContact O-N 3.09Å; V266-Q268 VanDerWaalsContact C-N 3.33Å; V266-Q268 PolarHBondContact O-N 3Å; V266-R269 PolarHBondContact O-N 3.32Å; V266-Q270 WeakPolarHBondContact O-CG 3.03Å; V266-Q270 PolarHBondContact O-N 3.37Å
267L94.1Very high86.8Confident81 Ų8180.9 Ų80.942%0.42442%0.417SS..Hα-helixtrans-62-39.3177.4-72.4167000112.1M259 E263 F264 R269 Q270 K271M259-L267 HydrophobicContact CE-CD1 3.49Å; M259-L267 VanDerWaalsContact CE-CD1 3.49Å; E263-L267 WeakPolarHBondContact O-CB 3.49Å; E263-L267 VanDerWaalsContact O-CG 3.32Å; E263-L267 WeakPolarHBondContact O-CG 3.28Å; E263-L267 PolarHBondContact O-N 3.41Å; F264-L267 PolarHBondContact O-N 3.44Å; L267-R269 VanDerWaalsContact C-N 3.34Å; L267-R269 PolarHBondContact O-N 3.41Å; L267-Q270 PolarHBondContact O-N 3.34Å; L267-K271 WeakPolarHBondContact O-CG 3.39Å; L267-K271 PolarHBondContact O-N 3.48Å
268Q93.6Very high84.1Confident115 Ų11579.9 Ų79.954%0.53742%0.418SS..Hα-helixtrans-63.8-39.7176.5-170.9176.12.800111.9F264 I265 V266 K271 S272F264-Q268 WeakPolarHBondContact O-CB 3.23Å; F264-Q268 PolarHBondContact O-N 2.85Å; I265-Q268 PolarHBondContact O-N 2.72Å; V266-Q268 VanDerWaalsContact C-N 3.33Å; V266-Q268 PolarHBondContact O-N 3Å; Q268-K271 PolarHBondContact O-N 3.3Å; Q268-S272 PolarHBondContact O-N 3.04Å; Q268-S272 PolarHBondContact O-OG 3.14Å
269R94.3Very high81.5Confident168 Ų16884.6 Ų84.663%0.63443%0.427SS*.Hα-helixtrans-68.5-36.4176.6-71.5172.1-178.2-179.51.9112.9I265 V266 L267 S272 N273I265-R269 VanDerWaalsContact O-CG 3.31Å; I265-R269 WeakPolarHBondContact O-CG 3.38Å; I265-R269 PolarHBondContact O-N 3.21Å; V266-R269 PolarHBondContact O-N 3.32Å; L267-R269 VanDerWaalsContact C-N 3.34Å; L267-R269 PolarHBondContact O-N 3.41Å; R269-S272 WeakPolarHBondContact CA-OG 3.47Å; R269-S272 PolarHBondContact O-N 2.86Å; R269-S272 PolarHBondContact O-OG 3.14Å; R269-N273 PolarHBondContact O-N 3.07Å
270Q92.8Very high79.3Confident87 Ų8788 Ų8841%0.40745%0.445SS..Hα-helixtrans-65.6-43.2174.7-73.1172.9-43.900110.8V266 L267 S272 N273V266-Q270 WeakPolarHBondContact O-CG 3.03Å; V266-Q270 PolarHBondContact O-N 3.37Å; L267-Q270 PolarHBondContact O-N 3.34Å; Q270-S272 PolarHBondContact O-N 2.78Å; Q270-N273 CarbonylContact O-C 3.58Å; Q270-N273 PolarHBondContact O-N 3.36Å
271K91Very high76.8Confident175 Ų17589.6 Ų89.676%0.76146%0.457SS*.Hα-helixtrans-64.9-35.3175.7-72.6-179.8-179.9-176.10113.6L267 Q268L267-K271 WeakPolarHBondContact O-CG 3.39Å; L267-K271 PolarHBondContact O-N 3.48Å; Q268-K271 PolarHBondContact O-N 3.3Å
272S87.5Confident74.1Confident76 Ų7694.6 Ų94.653%0.53148%0.483SS..Hα-helixtrans-75.7-24.8179.665.20000113.5Q268 R269 Q270 P274Q268-S272 PolarHBondContact O-N 3.04Å; Q268-S272 PolarHBondContact O-OG 3.14Å; R269-S272 WeakPolarHBondContact CA-OG 3.47Å; R269-S272 PolarHBondContact O-N 2.86Å; R269-S272 PolarHBondContact O-OG 3.14Å; Q270-S272 PolarHBondContact O-N 2.78Å; S272-P274 WeakPolarHBondContact O-CD 3.06Å
273N80.8Confident71.6Confident94 Ų9496.8 Ų96.850%0.50350%0.501SS..  trans-121.864.1-178.3-70.1-20.3000112.2R269 Q270 S275 T276R269-N273 PolarHBondContact O-N 3.07Å; Q270-N273 CarbonylContact O-C 3.58Å; Q270-N273 PolarHBondContact O-N 3.36Å; N273-S275 PolarHBondContact O-N 3.19Å; N273-T276 PolarHBondContact O-N 2.89Å
274P65.5Low69.3Low83 Ų8395.3 Ų95.354%0.53950%0.497SS..Hα-helixtrans-63.4-22.7178.825.1-31.9000112.6S272 T276S272-P274 WeakPolarHBondContact O-CD 3.06Å; P274-T276 PolarHBondContact O-N 3.12Å
275S57.9Low66.9Low83 Ų8397.1 Ų97.158%0.5851%0.509SS*.Hα-helixtrans-73.1-18.5-176.432.30000115N273N273-S275 PolarHBondContact O-N 3.19Å
276T53.8Low64.5Low78 Ų78102.4 Ų102.448%0.47953%0.533SS..Hα-helixtrans-80.8-28.2178.6-46.40000112N273 P274 I280N273-T276 PolarHBondContact O-N 2.89Å; P274-T276 PolarHBondContact O-N 3.12Å; T276-I280 HydrophobicContact CG2-CD1 4Å; T276-I280 WeakPolarHBondContact O-CG1 3.34Å; T276-I280 PolarHBondContact O-N 2.8Å
277E50.6Low62.1Low117 Ų117104 Ų10455%0.54755%0.545SS..Hα-helixtrans-78.1-32.8-177.4-126.8164.8-161.500112.3Q279 I280 S281E277-Q279 PolarHBondContact O-N 3.27Å; E277-I280 PolarHBondContact O-N 3.34Å; E277-S281 WeakPolarHBondContact O-CB 3.42Å; E277-S281 PolarHBondContact O-N 3.35Å
278N39.8Very low59.9Low110 Ų110105.9 Ų105.959%0.58855%0.55SS**Hα-helixtrans-68.1-30176.2-79-18.5000113.7N282N278-N282 VanDerWaalsContact O-CG 3.23Å; N278-N282 PolarHBondContact O-N 3.48Å; N278-N282 PolarHBondContact O-ND2 3.45Å
279Q41.1Very low57.4Low146 Ų146108.8 Ų108.868%0.68256%0.561SS**Hα-helixtrans-81.4-28.9176.4-71.6-172.3-2.700113.2E277 N283E277-Q279 PolarHBondContact O-N 3.27Å; Q279-N283 PolarHBondContact O-ND2 3.13Å; Q279-N283 VanDerWaalsContact O-ND2 3.15Å
280I49.7Very low55Low104 Ų104109.5 Ų109.553%0.53357%0.569SS.*Hα-helixtrans-80.7-37.9174.5-63.2171.9000110.2T276 E277 N283 A284T276-I280 HydrophobicContact CG2-CD1 4Å; T276-I280 WeakPolarHBondContact O-CG1 3.34Å; T276-I280 PolarHBondContact O-N 2.8Å; E277-I280 PolarHBondContact O-N 3.34Å; I280-N283 PolarHBondContact O-N 2.89Å; I280-A284 HydrophobicContact CG2-CB 4.47Å; I280-A284 WeakPolarHBondContact O-CA 3.41Å; I280-A284 WeakPolarHBondContact O-CB 3.36Å; I280-A284 PolarHBondContact O-N 2.79Å
281S44.2Very low52.7Low52 Ų52110.7 Ų110.736%0.36458%0.578SS.*Hα-helixtrans-56.7-49.4174.31770000111.8E277 N283 A284 D285E277-S281 WeakPolarHBondContact O-CB 3.42Å; E277-S281 PolarHBondContact O-N 3.35Å; S281-N283 VanDerWaalsContact C-N 3.3Å; S281-N283 PolarHBondContact O-N 3.3Å; S281-A284 PolarHBondContact O-N 3.19Å; S281-D285 WeakPolarHBondContact O-CB 3.43Å; S281-D285 PolarHBondContact O-N 2.88Å
282N40.1Very low50.3Low119 Ų119106.8 Ų106.864%0.63657%0.565SS**Hα-helixtrans-67.1-26.8-177.3-71.3-16.4000114N278N278-N282 VanDerWaalsContact O-CG 3.23Å; N278-N282 PolarHBondContact O-N 3.48Å; N278-N282 PolarHBondContact O-ND2 3.45Å
283N44.6Very low48Very low133 Ų133111.9 Ų111.971%0.71158%0.578SS**Hα-helixtrans-94.1-26.7176.1-74.1-51.2000113Q279 I280 S281Q279-N283 PolarHBondContact O-ND2 3.13Å; Q279-N283 VanDerWaalsContact O-ND2 3.15Å; I280-N283 PolarHBondContact O-N 2.89Å; S281-N283 VanDerWaalsContact C-N 3.3Å; S281-N283 PolarHBondContact O-N 3.3Å
284A47.6Very low46.1Very low20 Ų20112.4 Ų112.417%0.16559%0.588CS.*Hα-helixtrans-82.3-24.5177.400000112.4I280 S281 Q286 S287 K288I280-A284 HydrophobicContact CG2-CB 4.47Å; I280-A284 WeakPolarHBondContact O-CA 3.41Å; I280-A284 WeakPolarHBondContact O-CB 3.36Å; I280-A284 PolarHBondContact O-N 2.79Å; S281-A284 PolarHBondContact O-N 3.19Å; A284-Q286 PolarHBondContact O-N 3.01Å; A284-S287 PolarHBondContact O-N 3.02Å; A284-K288 HydrophobicContact CB-CD 4.1Å; A284-K288 HydrophobicContact CB-CG 4.35Å; A284-K288 VanDerWaalsContact O-CB 3.25Å; A284-K288 WeakPolarHBondContact O-CB 2.99Å; A284-K288 PolarHBondContact O-N 3.12Å
285D46Very low45Very low93 Ų93111.7 Ų111.750%0.49759%0.585SS.*Hα-helixtrans-65.3-25.4-179.4-113-12.9000113.7S281S281-D285 WeakPolarHBondContact O-CB 3.43Å; S281-D285 PolarHBondContact O-N 2.88Å
286Q45.6Very low44.3Very low175 Ų175112.1 Ų112.182%0.81858%0.579SS**Hα-helixtrans-80-21.1173.3-73.6-174.5-100113.5A284A284-Q286 PolarHBondContact O-N 3.01Å
287S44Very low43.6Very low74 Ų74114.2 Ų114.252%0.51759%0.588SS.*Hα-helixtrans-102.8-35.8-178.2-178.60000112.8A284 K290A284-S287 PolarHBondContact O-N 3.02Å; S287-K290 PolarHBondContact O-N 3.25Å
288K46.7Very low43.3Very low121 Ų121113.2 Ų113.253%0.52659%0.593SS.*Hα-helixtrans-71.9-29.2178.2-81.4-177.8174178.70113A284 K290 N291 L292A284-K288 HydrophobicContact CB-CD 4.1Å; A284-K288 HydrophobicContact CB-CG 4.35Å; A284-K288 VanDerWaalsContact O-CB 3.25Å; A284-K288 WeakPolarHBondContact O-CB 2.99Å; A284-K288 PolarHBondContact O-N 3.12Å; K288-K290 PolarHBondContact O-N 3.13Å; K288-N291 PolarHBondContact O-N 2.84Å; K288-N291 VanDerWaalsContact O-N 3.1Å; K288-L292 WeakPolarHBondContact O-CB 3.29Å; K288-L292 PolarHBondContact O-N 3.26Å
289K43Very low43.5Very low176 Ų176113.6 Ų113.677%0.76559%0.593SS**Hα-helixtrans-60.1-18.3174.9-100.5179.9177.4173.60114.3
290K41.9Very low43.4Very low183 Ų183112 Ų11280%0.79659%0.589SS**Hα-helixtrans-96.2-21.7174.8-76.5-178175.7178.20114.7S287 K288S287-K290 PolarHBondContact O-N 3.25Å; K288-K290 PolarHBondContact O-N 3.13Å
291N46Very low43Very low113 Ų113113 Ų11360%0.60460%0.595SS**Hα-helixtrans-107.3-21.6-177.8-70.2-19.8000113.8K288 F293 C294K288-N291 PolarHBondContact O-N 2.84Å; K288-N291 VanDerWaalsContact O-N 3.1Å; N291-F293 VanDerWaalsContact C-N 3.31Å; N291-F293 PolarHBondContact O-N 3.43Å; N291-C294 PolarHBondContact O-N 3.35Å
292L40.9Very low42.9Very low92 Ų92114.5 Ų114.548%0.48261%0.605SS.*Hα-helixtrans-74.2-20.7-177.4-163.270.4000112.9K288 C294 I296K288-L292 WeakPolarHBondContact O-CB 3.29Å; K288-L292 PolarHBondContact O-N 3.26Å; L292-C294 PolarHBondContact O-N 3.24Å; L292-I296 HydrophobicContact CD1-CD1 4.31Å; L292-I296 HydrophobicContact CD2-CD1 4.17Å; L292-I296 HydrophobicContact CG-CD1 3.72Å; L292-I296 HydrophobicContact CG-CG1 4.35Å; L292-I296 WeakPolarHBondContact O-CG1 3.37Å
293F39.3Very low42.9Very low184 Ų184115.5 Ų115.581%0.80761%0.606SS**Hα-helixtrans-71.3-13173.8-148.2-95.6000113N291N291-F293 VanDerWaalsContact C-N 3.31Å; N291-F293 PolarHBondContact O-N 3.43Å
294C39.8Very low42.8Very low104 Ų104117.3 Ų117.370%0.70361%0.608SS**Hα-helixtrans-100.7-16.6-179.6-150.80000113.5N291 L292N291-C294 PolarHBondContact O-N 3.35Å; L292-C294 PolarHBondContact O-N 3.24Å
295S42.6Very low42.7Very low68 Ų68123.2 Ų123.248%0.47663%0.631SS.*Hα-helixtrans-102.4-14.5-177.6-56.20000114.4
296I42.7Very low42.4Very low92 Ų92124.4 Ų124.447%0.47264%0.638SS.*THydrogen-bonded Turntrans-81.8-23.2-177.8-70.4175.3000112.4L292 C298L292-I296 HydrophobicContact CD1-CD1 4.31Å; L292-I296 HydrophobicContact CD2-CD1 4.17Å; L292-I296 HydrophobicContact CG-CD1 3.72Å; L292-I296 HydrophobicContact CG-CG1 4.35Å; L292-I296 WeakPolarHBondContact O-CG1 3.37Å; I296-C298 PolarHBondContact O-N 3.44Å
297N40.6Very low42.2Very low123 Ų123122 Ų12266%0.65863%0.63SS**THydrogen-bonded Turntrans-82.6-4.5177.9-83.5-5.9000115.3
298C42.3Very low42.1Very low96 Ų96121.5 Ų121.565%0.64963%0.63SS**THydrogen-bonded Turntrans-110.5-8.9-179.1-62.60000114.2I296I296-C298 PolarHBondContact O-N 3.44Å
299I44.5Very low42Very low117 Ų117123 Ų12360%0.664%0.639SS**THydrogen-bonded Turntrans-99.7-29.9-175.3-65.7174.7000111.6L301I299-L301 VanDerWaalsContact C-N 3.29Å; I299-L301 PolarHBondContact O-N 3.18Å
300D39Very low41.9Very low112 Ų112122.8 Ų122.860%0.59964%0.642SS**THydrogen-bonded Turntrans-80.5-0-179.9-89-22.5000115.3
301L42.7Very low41.9Very low126 Ų126118.2 Ų118.266%0.6663%0.633SS**THydrogen-bonded Turntrans-102.3-28.3178.9-70.5170.3000113.6I299I299-L301 VanDerWaalsContact C-N 3.29Å; I299-L301 PolarHBondContact O-N 3.18Å
302C41.1Very low41.6Very low84 Ų84117 Ų11757%0.56863%0.634SS**Hα-helixtrans-78.8-27.2179.3-84.50000113.7K304C302-K304 PolarHBondContact O-N 3.16Å
303E40.1Very low41.4Very low140 Ų140121.3 Ų121.365%0.65465%0.651SS**Hα-helixtrans-78.1-7.8-176.2-150167.2-168.200113.4
304K42.7Very low41.1Very low171 Ų171117.2 Ų117.274%0.74365%0.646SS**Hα-helixtrans-101-16.9177.3-75.5-178.9179.1168.40114.7C302C302-K304 PolarHBondContact O-N 3.16Å
305E44.5Very low40.9Very low143 Ų143121 Ų12167%0.66865%0.653SS**Hα-helixtrans-89-34.9-179.6-71.2-175.8157.300112.3I307 A308 E309E305-I307 VanDerWaalsContact C-N 3.26Å; E305-I307 PolarHBondContact O-N 3.18Å; E305-A308 PolarHBondContact O-N 3.41Å; E305-E309 PolarHBondContact O-N 3.3Å
306D41.2Very low40.5Very low118 Ų118123.6 Ų123.663%0.63167%0.671SS**Hα-helixtrans-70.8-17.8179.8-72.3-24.4000114.1
307I41.7Very low40.2Very low126 Ų126127.3 Ų127.365%0.64669%0.692SS**Hα-helixtrans-91.4-21.2178.5-59.3178.7000111.7E305 S311E305-I307 VanDerWaalsContact C-N 3.26Å; E305-I307 PolarHBondContact O-N 3.18Å; I307-S311 PolarHBondContact O-OG 2.85Å
308A41.7Very low39.8Very low63 Ų63125 Ų12552%0.52170%0.697SS.*Hα-helixtrans-84.5-27.4178.900000113.1E305 S311E305-A308 PolarHBondContact O-N 3.41Å; A308-S311 PolarHBondContact O-OG 3.11Å
309E43.4Very low39.5Very low152 Ų152125.3 Ų125.371%0.7170%0.698SS**Hα-helixtrans-85.6-23.4179.9-107.8-178.4163.300114.1E305 S311E305-E309 PolarHBondContact O-N 3.3Å; E309-S311 VanDerWaalsContact C-N 3.34Å
310M40.5Very low38.9Very low171 Ų171129.3 Ų129.384%0.84271%0.707SS**THydrogen-bonded Turntrans-81.1-10.1175.5-92.4172.254.400114.2
311S42.5Very low38.5Very low87 Ų87129.5 Ų129.561%0.60871%0.712SS**THydrogen-bonded Turntrans-100.7-3.2-178.249.10000114.8I307 A308 E309I307-S311 PolarHBondContact O-OG 2.85Å; A308-S311 PolarHBondContact O-OG 3.11Å; E309-S311 VanDerWaalsContact C-N 3.34Å
312S39.4Very low38Very low87 Ų87129.6 Ų129.661%0.60872%0.718SS**SBendtrans-101.4-3.2-178.663.90000115.6
313Q36.8Very low37.7Very low183 Ų183130.7 Ų130.786%0.85573%0.727SS**SBendtrans-104.517.9-177.3-72.9-172.5-4.200115.9
314S32.4Very low37.4Very low98 Ų98129 Ų12969%0.68573%0.73SS**  trans-128.665.817467.10000113
315Q36.9Very low37Very low185 Ų185130.1 Ų130.186%0.86474%0.735SS**  trans-159.4130156.3-111.2163.539.500113
316S33.6Very low36.5Very low121 Ų121129.2 Ų129.285%0.84674%0.739SS**  trans89.4102.9160.980.40000119.2
317N36.6Very low36.1Very low171 Ų171130.2 Ų130.291%0.91475%0.749SS**  trans-54.5155.1162.6-59.8-45.1000114.7
318G31.4Very low35.7Very low74 Ų74130.7 Ų130.776%0.76375%0.752SS**  trans126.3146.1139.700000116.7
319P35.9Very low35.3Very low102 Ų102133.5 Ų133.566%0.66277%0.768SS**  trans-114-167.2-137.535.4-19.8000114.8
320Y32.6Very low34.8Very low202 Ų202133.2 Ų133.279%0.79277%0.771SS**  trans119.293.7162.1-57.5-66.6000117.5
321T31Very low34.8Very low115 Ų115130 Ų13071%0.70676%0.763SS**  33.2130.4126.458.50000123
322T31.9Very low34.6Very low129 Ų129130.8 Ų130.879%0.79177%0.768SS**  85.6117.7130530000122.9
323S34.4Very low34.5Very low107 Ų107133.3 Ų133.375%0.74878%0.78SS**  99.4109.4123.7-145.90000121.6
324S34Very low34.5Very low103 Ų103127.9 Ų127.972%0.7277%0.773SS**  80.5146.1120.1-61.20000124.6
325K34Very low34.7Very low196 Ų196133.5 Ų133.585%0.85279%0.785SS**  trans97.7106.6159.9-60.6-178.6176.8178.90114.6
326V33.9Very low34.7Very low124 Ų124129.4 Ų129.475%0.75278%0.777SS**  67.8110.653.2-174.60000114.6
327V34.3Very low34.8Very low139 Ų139127.7 Ų127.784%0.84277%0.765SS**  trans-165.6109.5137.7-178.70000106.2
328L31.5Very low35Very low136 Ų136127.1 Ų127.171%0.71276%0.762SS**  68.3106.467.4-103.5163.9000117.3L330L328-L330 HydrophobicContact CD2-CD1 4.31Å
329S34.2Very low35.3Very low122 Ų122132.6 Ų132.685%0.85377%0.767SS**  trans-169.1117.5136.950.40000112.7
330L33.8Very low35.3Very low146 Ų146132.8 Ų132.876%0.76477%0.769SS**  trans-92.3-166.3171.1-95.9139.7000109.5L328L328-L330 HydrophobicContact CD2-CD1 4.31Å
331P39.1Very low35.4Very low104 Ų104130 Ų13068%0.67577%0.773SS**  cis-141.9-174.4-23.225.3-1000115.7
332S38.4Very low35.7Very low103 Ų103130.7 Ų130.772%0.7278%0.776SS**  trans108.3142.413691.80000116.5
333T38.3Very low35.7Very low139 Ų139131 Ų13185%0.85378%0.778SS**  cis-175.7154.8-418.90000108.9
334G36Very low35.5Very low69 Ų69128.9 Ų128.971%0.71177%0.774SS**  trans123.697.9155.700000114.5
335K37.6Very low35.5Very low216 Ų216132.1 Ų132.194%0.93978%0.782SS**  56.5135.282.2-77.2-172.8176.1-178.20113.5
336S36.9Very low35.3Very low100 Ų100130.7 Ų130.770%0.69978%0.783SS**  cis-163.5150.35.663.60000110.3
337S35.8Very low35.4Very low85 Ų85129.7 Ų129.759%0.59479%0.788SS**  62.2120.1120.2750000119.8
338D40.4Very low35.3Very low158 Ų158130 Ų13085%0.84579%0.785SS**  160.9157.5107.7-79.1-43.3000114.6
339Q37.3Very low35.6Very low189 Ų189132.5 Ų132.588%0.88379%0.793SS**  trans-78.5174.1-156.6-92.3-165.1-9.600118.8
340P36.3Very low35.6Very low107 Ų107131 Ų13170%0.69578%0.782SS**  trans-109.1150.6-170.938.8-28.1000114.9
341V34.8Very low35.4Very low143 Ų143129.1 Ų129.187%0.86778%0.781SS**  trans-162.5148.6152.6-162.20000111.3
342V35.8Very low35.1Very low130 Ų130130.1 Ų130.179%0.78879%0.791SS**  trans117130.4143.4-1660000117.8
343T32.9Very low34.7Very low135 Ų135133 Ų13383%0.82880%0.796SS**  trans-70.6162.3-176.548.70000117.4
344G29.9Very low34.3Very low63 Ų63132.8 Ų132.865%0.64980%0.799SS**  trans114.3112.1140.700000116.2
345D34.5Very low33.9Very low170 Ų170134.7 Ų134.791%0.90980%0.802SS**  167.8139.9108.2-83.4-21.1000113.6
346L29.4Very low33.8Very low166 Ų166131.3 Ų131.387%0.86980%0.798SS**  trans-74.8146.2171.9-85.585.3000111.2
347A36.9Very low33.5Very low103 Ų103137.7 Ų137.785%0.85181%0.807SS**  trans-149.4118.9145.900000111.4
348N31.5Very low33.4Very low145 Ų145139 Ų13978%0.77581%0.814SS**  trans-68.3144.5166-80.8-33.6000110.7
349H37.5Very low33.2Very low190 Ų190140.8 Ų140.888%0.8882%0.817SS**  trans-153145138.8-114.2-75.4000111.9
350S34Very low32.8Very low90 Ų90137.9 Ų137.963%0.62981%0.812SS**  trans-103.2157.2-155.831.20000114.1
351S30.8Very low32.7Very low106 Ų106140.4 Ų140.474%0.74182%0.819SS**  trans61.2121.3142.757.30000121
352S33.1Very low32.7Very low126 Ų126137.9 Ų137.988%0.88181%0.807SS**  177.6149.310448.20000112.7
353I29.3Very low32.6Very low163 Ų163138.4 Ų138.484%0.83681%0.806SS**  trans-89.7143.5-172-70.9159.4000109.9
354C29.9Very low32.5Very low135 Ų135139.2 Ų139.291%0.91281%0.805SS**  trans-162.9124.3140.6-112.40000112.5
355S27.5Very low32.7Very low109 Ų109146.3 Ų146.376%0.76282%0.818SS**  trans-90.6146.4169178.60000109.1
356V35.2Very low32.5Very low144 Ų144145.4 Ų145.487%0.87381%0.811SS**  trans-176.3142.3137.3165.40000109.9
357R29.9Very low32.7Very low234 Ų234147.2 Ų147.288%0.88381%0.813SS**  trans-75.3172.6-174.1-113.9-163172.9162.1-1.7115.4
358P35.4Very low32.4Very low113 Ų113147.8 Ų147.873%0.73481%0.81SS**  trans-100.6166.2-154.540.4-38.6000115.7
359Q34.8Very low32.6Very low196 Ų196144.5 Ų144.592%0.91681%0.811SS**  trans-125.3134.3160.3-71.4-171.7-500111.2
360T28.8Very low32.3Very low127 Ų127139 Ų13978%0.77981%0.806SS**  trans-68.1148.7168.7420000112.3
361I34.7Very low32.2Very low161 Ų161144.7 Ų144.783%0.82682%0.819SS**  -180120.7129.9-87.6151.1000111.7
362S34.2Very low32.2Very low90 Ų90148.8 Ų148.863%0.62983%0.826SS**  trans39.8129.6143.599.30000125.7
363N34.7Very low32.1Very low141 Ų141148.9 Ų148.975%0.75483%0.826SS**  84.4108.4126.6-67.3-8.9000122.2
364N31.5Very low32.4Very low152 Ų152148.8 Ų148.881%0.81383%0.826SS**  trans45.4110.4131.6-69.7-2.6000120.1
365K33.6Very low32.7Very low211 Ų211148.1 Ų148.192%0.91782%0.82SS**  trans-143.5116.1136.8-108.5176.5-178.2178.10109.7
366I29.6Very low33Very low152 Ų152148.4 Ų148.478%0.77982%0.822SS**  trans-75.6131.5168.1-67168.6000107.5
367F33.7Very low32.9Very low204 Ų204148.6 Ų148.690%0.89582%0.817SS**  trans-142.7119.4152.8-117.8-86.9000108.9
368S31.3Very low33.3Very low114 Ų114143.1 Ų143.180%0.79781%0.811SS**  trans-64.4140.7171.9-69.40000111.3
369G34.2Very low33.1Very low77 Ų77147 Ų14779%0.79482%0.817SS**  trans179.980.517200000113.8
370G31.1Very low33.2Very low75 Ų75143.1 Ų143.177%0.77381%0.811SS**  trans78.7129.6133.400000120.9
371K33.9Very low33.4Very low208 Ų208144.5 Ų144.590%0.90481%0.814SS**  trans100.8110.3143.4-59.6-173.7179-1780117.8
372E29Very low33.2Very low192 Ų192146.1 Ų146.190%0.89782%0.815SS**  trans-52.1140.3162.8-62.2163147.700112
373C31.6Very low33.1Very low128 Ų128149.4 Ų149.487%0.86582%0.824SS**  trans-132.5103.3160.7-75.20000108.3
374L34.9Very low32.9Very low162 Ų162147.3 Ų147.385%0.84882%0.82SS**PPolyproline II helixtrans-65.3140.8162.4-74.1163.8000109.4S376L374-S376 PolarHBondContact O-N 3.03Å
375P37.6Very low32.9Very low120 Ų120148.9 Ų148.978%0.77982%0.823SS**PPolyproline II helixtrans-74.8123.1173.529.2-29.5000110.1
376S33.4Very low32.7Very low116 Ų116143.5 Ų143.581%0.81181%0.812SS**PPolyproline II helixtrans-68.4124.9174.2240000111.6L374L374-S376 PolarHBondContact O-N 3.03Å
377I33.6Very low32.9Very low147 Ų147142.8 Ų142.875%0.75481%0.808SS**PPolyproline II helixtrans-72.9128.3166.4-61.5169.3000108.4K379I377-K379 PolarHBondContact O-N 3.15Å
378P37Very low32.8Very low119 Ų119140.8 Ų140.877%0.77380%0.802SS**  trans-78.7109166.3314.1000109.1
379K33.1Very low32.8Very low196 Ų196143.3 Ų143.385%0.85280%0.801SS**  trans-80.7109.2154.9-75.6-176.9179.1178.20107.4I377I377-K379 PolarHBondContact O-N 3.15Å
380S36.4Very low32.7Very low113 Ų113146.4 Ų146.479%0.7980%0.799SS**  trans-116.7127.2159.460.30000109.2
381N32.7Very low32.8Very low157 Ų157150.3 Ų150.384%0.8480%0.802SS**  trans-65.2150.1-165.7-69-40.8000114.8
382F31Very low32.8Very low194 Ų194145.6 Ų145.685%0.85179%0.793SS**  trans-46.7140.1158.1-94.4-108.9000113.2
383I31.7Very low33Very low160 Ų160142.6 Ų142.682%0.82179%0.787SS**  trans-126.7112140.1-62.7178.5000105.9
384S30.8Very low32.8Very low96 Ų96146.6 Ų146.667%0.67179%0.786SS**  trans-102.9112.6163.854.20000107.5
385E31.5Very low32.7Very low186 Ų186146.8 Ų146.887%0.86979%0.787SS**  trans-99.8111.5157.6-84.4-178.2158.500108
386S28.7Very low32.3Very low98 Ų98145.4 Ų145.469%0.68578%0.78SS**  trans-69.1147.2157.451.60000109.7
387I33.1Very low32.2Very low137 Ų137145 Ų14570%0.70378%0.777SS**  169.2130.3121.9-86.2158.1000110.3
388Q32.4Very low32.3Very low162 Ų162146.8 Ų146.876%0.75779%0.787SS**  trans66.2113.9155.5-74161.9-22.400119.4
389Q30.4Very low32.2Very low166 Ų166144.3 Ų144.378%0.77678%0.783SS**  73.5122.479.3-113.5164.3-21.300113.8
390D33.7Very low32.4Very low142 Ų142144.2 Ų144.276%0.75978%0.782SS**  trans116110.4149.7-59.1-22.1000118.7
391N31.7Very low32.3Very low158 Ų158145.8 Ų145.885%0.84578%0.782SS**  trans40.8146.5140.1-85.3-21000123.9
392P34.4Very low32.5Very low108 Ų108143.5 Ų143.570%0.70178%0.778SS**  trans-90152.717837.7-32000112.1
393V32.9Very low32.7Very low129 Ų129141.3 Ų141.378%0.78278%0.776SS**  trans166.4129.8146148.40000111.6
394Y27.7Very low32.9Very low212 Ų212140.2 Ų140.283%0.83178%0.776SS**  trans43131.6153.3-79-108000121.6
395L32.3Very low32.9Very low167 Ų167141.7 Ų141.787%0.87478%0.784SS**  -158.8135.9124.3-106.5164.8000112.8
396S29.2Very low33Very low90 Ų90141.3 Ų141.363%0.62979%0.787SS**  trans-75.1166.6178.347.60000114.8
397S32.1Very low33.3Very low108 Ų108143.3 Ų143.376%0.75579%0.79SS**  trans108.5116.7143.183.60000117
398L36.2Very low33.2Very low185 Ų185142.4 Ų142.497%0.96979%0.79SS**  trans161.2117.2152.8-88.7161.8000104.8
399G34.7Very low33.3Very low66 Ų66142.6 Ų142.668%0.6880%0.797SS**  cis1681282.100000107.5
400K36.1Very low33.3Very low194 Ų194143 Ų14384%0.84380%0.796SS**  trans68.4126.4144.5-74.1-177.6177.7179.50122.6
401N34.9Very low33.4Very low146 Ų146144.5 Ų144.578%0.78180%0.798SS**  trans90.6102.1140.3-60.2-5.6000118.5
402S37.4Very low33.4Very low109 Ų109143.2 Ų143.276%0.76279%0.791SS**  164.8105.893.9590000111.2
403D35.4Very low33.3Very low149 Ų149146.9 Ų146.980%0.79780%0.804SS**  trans19.2117.9140.6-49.2-37000120.2
404T34.9Very low33.3Very low136 Ų136147 Ų14783%0.83481%0.805SS**  172.7122.5116.829.90000110.5
405P30.8Very low33.5Very low127 Ų127147.9 Ų147.983%0.82581%0.807SS**  trans-99.1129.8165.933-22.7000109.8
406L34.5Very low33.8Very low179 Ų179146.3 Ų146.394%0.93780%0.804SS**  trans-109112.8169.7-93163.4000110.5
407D35.6Very low34.1Very low140 Ų140148 Ų14875%0.74981%0.806SS**  trans-54.2145.8166.5-106.5-42000113.4
408V29.8Very low34.1Very low117 Ų117147.5 Ų147.571%0.70980%0.802SS**  trans22.8110.9133.6-173.30000116.1
409N34.3Very low34Very low167 Ų167146.5 Ų146.589%0.89380%0.798SS**  trans-144131.2135.4-129.5-24.5000113.4
410K30.2Very low34Very low175 Ų175150.1 Ų150.176%0.76181%0.807SS**  trans-105.1105.8-173.8176.2-168.8-168.2-177.90104.2
411H36.4Very low33.8Very low173 Ų173147 Ų14780%0.80181%0.81SS**  trans177.9146.4154.1-105.4-72.9000110.3
412D32.2Very low33.9Very low131 Ų131148.8 Ų148.870%0.70181%0.813SS**  trans8089.7161.8-56.7-16.6000118.2
413L32.5Very low33.8Very low185 Ų185151.3 Ų151.397%0.96982%0.818SS**  -166.866.4128.9-96.1161.5000108.5
414T32.3Very low33.8Very low131 Ų131153 Ų15380%0.80483%0.826SS**  trans-90.2139.6157.646.60000108.4
415R32.6Very low33.9Very low230 Ų230151.6 Ų151.687%0.86882%0.822SS**  trans112.384.4163.3-161.2-179.3-169.5130.24.2114.7
416V37.9Very low34.2Very low134 Ų134152.2 Ų152.281%0.81282%0.818SS**  trans-147.8102.2131-176.80000108
417D36.3Very low34.2Very low125 Ų125155 Ų15567%0.66882%0.818SS**  trans28.8108144.1-54.8-30.9000118.2
418S31.7Very low34.2Very low98 Ų98158 Ų15869%0.68582%0.824SS**  60.586.97579.60000113.9
419D33.5Very low34.5Very low165 Ų165159.1 Ų159.188%0.88283%0.832SS**  trans-17549.7153.4-93-17.4000112.4
420V35.8Very low34.5Very low142 Ų142157.5 Ų157.586%0.86183%0.833SS**  trans-147.547.8173.2-1630000112.9
421S31.6Very low34.6Very low129 Ų129152.5 Ų152.590%0.90283%0.831SS**  trans-145.341.8178.2-78.20000116
422Q36.2Very low34.4Very low183 Ų183152.1 Ų152.186%0.85584%0.835SS**SBendtrans-14031.4178.2-136169.74.500117.2
423N36.3Very low34.6Very low161 Ų161154 Ų15486%0.86184%0.84SS**SBendtrans-140.514.7170.8-84.4-42.8000116.4
424L34.8Very low34.7Very low184 Ų184151.3 Ų151.396%0.96383%0.825SS**  trans-104.777.5169.6-95.388000110.9
425S35.9Very low34.8Very low108 Ų108153.1 Ų153.176%0.75583%0.829SS**SBendtrans-147.3-1.9164.360.60000115.5
426N38.5Very low34.9Very low139 Ų139146.6 Ų146.674%0.74382%0.819SS**SBendtrans-125.192.3177.9-68.3-23.6000109.1
427Y34.8Very low34.7Very low239 Ų239146.1 Ų146.194%0.93782%0.816SS**  trans162.874.1153.8-98.2-76.8000107.9
428K35.1Very low34.4Very low201 Ų201151.7 Ų151.787%0.87483%0.828SS**  trans-143.188.3167.4-154.2179.3-168.7-178.90106.7
429T35.1Very low34.5Very low142 Ų142151.5 Ų151.587%0.87183%0.832SS**  trans173.8143.6157.925.30000109.7
430S35.4Very low34.5Very low132 Ų132151.1 Ų151.192%0.92383%0.828SS**  trans80.7114.9-178-146.50000113.9
431G32.2Very low34.2Very low70 Ų70150 Ų15072%0.72282%0.822SS**  cis174.7135.75.900000106.1
432D32.1Very low34.1Very low165 Ų165150.8 Ų150.888%0.88282%0.816SS**  trans-60.3129.1171.9-63.4-54.8000110.1
433E36.7Very low34.2Very low170 Ų170150.1 Ų150.179%0.79481%0.813SS**  trans-157.9114.4144.3-98.4-163.6148.900111.6
434I34.3Very low34.2Very low129 Ų129148.6 Ų148.666%0.66280%0.804SS**  79.292.3128.8-55.4168.8000119
435L33.7Very low34.2Very low169 Ų169147.2 Ų147.289%0.88579%0.792SS**  trans-26.4122.9130.7-164.788000115.5
436S35.2Very low34.1Very low94 Ų94148.3 Ų148.366%0.65779%0.789SS**  trans174.4142.3131.553.90000114.2
437T32.7Very low33.8Very low123 Ų123148.7 Ų148.776%0.75579%0.791SS**  trans64.3115.9151.329.70000118
438R31.1Very low33.7Very low243 Ų243142.4 Ų142.492%0.91778%0.782SS**  cis48.7126.445.1-113.3-175.1-176.9170.91.5113.9
439A33.2Very low33.6Very low94 Ų94141 Ų14178%0.77778%0.782SS**  trans90.6129.4-168.200000110.8
440I33.7Very low33.5Very low156 Ų156138.5 Ų138.580%0.877%0.771SS**  cis-155.9131.939.7-69.8169.9000108.1
441T30.7Very low33.4Very low120 Ų120138.5 Ų138.574%0.73677%0.768SS**  trans-90.8155.4154.1370000109
442D29.2Very low33.6Very low144 Ų144139.5 Ų139.577%0.7776%0.764SS**  trans91.1111.5168.7-53-23000116.1
443E37.9Very low33.7Very low169 Ų169139.1 Ų139.179%0.7976%0.762SS**  -171.7126.4120.3-99.2-163.3167.600111.1
444I35.8Very low33.8Very low130 Ų130140 Ų14067%0.66777%0.766SS**  trans71.3143.5130.4-60.3171.1000117.9
445E35.9Very low34.1Very low155 Ų155141.3 Ų141.372%0.72477%0.773SS**  cis178.3151.2-26.5-138.2-173.1165.400103.1
446L32.4Very low34.5Very low131 Ų131138.4 Ų138.469%0.68676%0.762SS**  trans45.9112.3154.4-94.279.2000120.3
447N33.3Very low34.9Very low146 Ų146138 Ų13878%0.78176%0.76SS**  -177.4130.696.9-94.4-29000113.2
448S31.8Very low35.4Very low108 Ų108136 Ų13676%0.75575%0.751SS**  trans-74125.4171.146.80000112.4
449I33.3Very low36.1Very low170 Ų170130.3 Ų130.387%0.87273%0.734SS**  trans-140.5133155.5-60.7-176.3000109.8
450S33.8Very low36.8Very low91 Ų91133.4 Ų133.464%0.63673%0.733SS**  trans-61.9153.6-178173.20000114.5S452S450-S452 PolarHBondContact O-N 2.87Å
451P32.1Very low37.4Very low131 Ų131131.6 Ų131.685%0.85172%0.723SS**  trans-85.4107.4178.933.2-30.3000111.6
452S35.9Very low38.3Very low92 Ų92131.5 Ų131.564%0.64372%0.717SS**  trans-164.8102.2162.648.50000106.4S450S450-S452 PolarHBondContact O-N 2.87Å
453D36Very low39.3Very low156 Ų156133 Ų13383%0.83471%0.712SS**  trans170.9-3154.6-83.8-17.1000114.4L455D453-L455 VanDerWaalsContact C-N 3.32Å; D453-L455 PolarHBondContact O-N 2.76Å
454E38.6Very low39.8Very low189 Ų189128.5 Ų128.588%0.88370%0.699SS**THydrogen-bonded Turntrans-84.19-176.5-114.1-179164.500116.5
455L39Very low40.3Very low156 Ų156127.6 Ų127.682%0.81770%0.7SS**THydrogen-bonded Turntrans-94.16.5-179-94.3159.2000115.2D453D453-L455 VanDerWaalsContact C-N 3.32Å; D453-L455 PolarHBondContact O-N 2.76Å
456V42.4Very low40.9Very low108 Ų108126 Ų12666%0.65570%0.695SS**SBendtrans-111.7-8.6-175.5-177.70000113.7
457S43.7Very low41.5Very low86 Ų86125 Ų12560%0.60170%0.695SS**SBendtrans-88.7-13.7-175.7-1750000115.3
458S44.1Very low42Very low81 Ų81126.8 Ų126.857%0.56670%0.698SS**SBendtrans-100.8-12.2-174.429.10000114.4
459E46.3Very low42.5Very low124 Ų124126 Ų12658%0.57969%0.693SS**SBendtrans-88.4-21.3173.8-105.3-158.2113.700114.1R463E459-R463 IonicContact OE1-CZ 3.86Å; E459-R463 IonicContact OE1-NH2 3.77Å; E459-R463 PolarHBondContact OE1-NH2 3Å
460Q47.8Very low42.9Very low158 Ų158125 Ų12574%0.73869%0.689SS**Hα-helixtrans-80.9-23.3-180-84.9-163.7-33.800114.3
461I46.3Very low43.2Very low118 Ų118125.4 Ų125.461%0.60569%0.692SS**Hα-helixtrans-83.2-18.7-178.5-61.1175.2000111.9
462I49.5Very low43.5Very low119 Ų119126.5 Ų126.561%0.6170%0.696SS**Hα-helixtrans-89.9-22.6178.4-63.6175.1000112.1
463R49.1Very low43.7Very low176 Ų176131.2 Ų131.266%0.66471%0.708SS**Hα-helixtrans-85.2-20179.3-70.2-170.5-172.4-1739114.9E459 T467E459-R463 IonicContact OE1-CZ 3.86Å; E459-R463 IonicContact OE1-NH2 3.77Å; E459-R463 PolarHBondContact OE1-NH2 3Å; R463-T467 PolarHBondContact O-OG1 3.14Å; R463-T467 VanDerWaalsContact O-OG1 3.14Å
464S49Very low43.9Very low74 Ų74129.1 Ų129.152%0.51771%0.706SS.*SBendtrans-80.4-23177.555.10000114
465T47.1Very low43.9Very low111 Ų111126.4 Ų126.468%0.68170%0.702SS**SBendtrans-86.3-13.6-176.7-48.20000112.8
466I47.8Very low43.9Very low121 Ų121126.3 Ų126.362%0.62170%0.703SS**SBendtrans-96.5-8-178-64.2175000112.4
467T44.9Very low43.8Very low111 Ų111126 Ų12668%0.68171%0.705SS**SBendtrans-98.80.7-176.520.30000115.4R463R463-T467 PolarHBondContact O-OG1 3.14Å; R463-T467 VanDerWaalsContact O-OG1 3.14Å
468Q43.3Very low43.6Very low183 Ų183129.8 Ų129.886%0.85572%0.718SS**SBendtrans-100.42.4179.3-93.9-178.3-900115.6
469S42.7Very low43.5Very low91 Ų91129.3 Ų129.364%0.63672%0.719SS**SBendtrans-100.61.3-176.964.70000115.7
470N41.5Very low43.3Very low149 Ų149132 Ų13280%0.79773%0.729SS**SBendtrans-133.662.6-173.4-76-13.2000112.8
471S40.6Very low43.1Very low99 Ų99129.9 Ų129.969%0.69272%0.722SS**  trans-172.196.1159.455.10000110.7
472T39.1Very low43Very low154 Ų154130.8 Ų130.895%0.94573%0.728SS**  trans17096.6132.136.30000109
473E39.2Very low42.6Very low191 Ų191133.1 Ų133.189%0.89374%0.737SS**  trans-122.9148.3166.1-143.9178.2-165.200107.1
474S39.5Very low42.4Very low112 Ų112129.6 Ų129.678%0.78374%0.739SS**  trans80.1123.5-175.782.90000114.1
475T40.1Very low42.1Very low132 Ų132130.8 Ų130.881%0.8175%0.747SS**  -164.6142.653.339.70000113.4
476N38.4Very low42.2Very low154 Ų154132 Ų13282%0.82475%0.754SS**  trans-41.5150.8171.3-61.4-38.9000118.6
477S39.9Very low42.1Very low102 Ų102133.4 Ų133.471%0.71376%0.762SS**  144.8142.298.467.30000115.8
478L40.3Very low42.2Very low165 Ų165133 Ų13386%0.86476%0.761SS**  trans69.4141.6160.9-85.980.7000118.4
479A41.6Very low42.3Very low71 Ų71133.5 Ų133.559%0.58776%0.76SS**  cis175.9145.2-9.500000107.5
480K41.2Very low42.7Very low181 Ų181135.6 Ų135.679%0.78777%0.769SS**  trans71.4144.7146.7-69.7-178.5162.7-143.30118
481D44.2Very low42.9Very low113 Ų113133.8 Ų133.860%0.60477%0.765SS**  cis-166.8158.50.1-96.4-24000107.2
482D43.7Very low43.6Very low137 Ų137134.8 Ų134.873%0.73377%0.769SS**  trans91.2117144.8-62.4-21.7000126.1
483E42.1Very low44.6Very low169 Ų169133.9 Ų133.979%0.7976%0.763SS**  trans74.1105.2133.3-75.3-168.6127.600121.2
484S43.6Very low45.5Very low102 Ų102136.2 Ų136.271%0.71378%0.781SS**  97.3141.892.488.10000110.2
485S44.1Very low45.8Very low98 Ų98137.5 Ų137.569%0.68578%0.781SS**  cis-169.9162.85.348.10000108.7
486V47.7Very low46.2Very low136 Ų136137.7 Ų137.782%0.82478%0.779SS**  trans92.8122.2155.6-161.40000119.3
487I46.6Very low46.6Very low152 Ų152136.8 Ų136.878%0.77978%0.777SS**  trans-112.2-170.1-170.1-28.9177.9000110.2
488P47.5Very low47Very low103 Ų103138.9 Ų138.967%0.66978%0.78SS**  -128.8-158.7-111.344-22.5000115.1
489K45.8Very low47.4Very low192 Ų192137.3 Ų137.384%0.83578%0.775SS**  trans97.7132.9166.5-54.5-177.7178.4177.20114.4
490V51.1Low47.8Very low135 Ų135141.7 Ų141.782%0.81879%0.788SS**  -17016166163.70000109.2
491P45.5Very low48.3Very low112 Ų112138.9 Ų138.973%0.72779%0.788SS**  trans-111-154.4-15346.5-34.6000115.3
492P53.6Low48.6Very low119 Ų119140.8 Ų140.877%0.77380%0.802SS**  -97.8165.4-122.637.9-20000115.8
493V61.4Low49Very low135 Ų135141.2 Ų141.282%0.81881%0.808SS**  trans-144.7134.6169.5176.90000112.4
494L58.7Low49.6Very low241 Ų241138.6 Ų138.6100%1.26281%0.809SS**  trans91.90169.3-78.3157.6000118.8

Retrieved 494 of 494 residues in 1019.6 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).