A0A087YCA8_POEFO Loading...

Armadillo repeat containing 6

AlphaFold DB (A0A3B3VIX7), UniProt , Accession A0A087YCA8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 463 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.8Very low84.7Confident241 Ų241100.4 Ų100.4100%1.18749%0.489SS*.  01310-67.6-177.6-134.600107.7K3M1-K3 PolarHBondContact O-N 3.11Å
2S59.1Low85.4Confident120 Ų12093.9 Ų93.984%0.83946%0.459SS*.PPolyproline II helixtrans-62.7123.8175.1-175.40000108.6
3K78.3Confident86Confident140 Ų14090.5 Ų90.561%0.60946%0.455SS*.PPolyproline II helixtrans-62.8144.1173.2-66-175.2178.8-177.30109.2M1 D43M1-K3 PolarHBondContact O-N 3.11Å; K3-D43 HydrophobicContact CB-CB 3.81Å; K3-D43 HydrophobicContact CD-CB 3.89Å
4R89.1Confident86.5Confident154 Ų15484.9 Ų84.958%0.58143%0.43SS*.BIsolated β-bridgetrans-67.9140.5176.3-168.6176.1-178.7-165-1.9108.5V42 D43R4-V42 HydrophobicContact CB-CG2 4.24Å; R4-V42 HydrophobicContact CG-CG2 4.26Å; R4-V42 CarbonylContact O-C 3.5Å; R4-V42 VanDerWaalsContact O-CA 3.32Å; R4-V42 WeakPolarHBondContact O-CA 3.34Å; R4-D43 PolarHBondContact O-N 3.17Å
5R91.6Very high87Confident168 Ų16879.6 Ų79.663%0.63440%0.403SS*.  trans-124.7151.3179.1-68.4-177.7174.8-178.7-3109.8
6I94.3Very high87.3Confident38 Ų3880.4 Ų80.420%0.19540%0.4CS..  trans-126.3166.6175.962.4175.3000109.8T10 F11 F37 V42 L44 I47I6-T10 HydrophobicContact CB-CG2 4.33Å; I6-T10 HydrophobicContact CG2-CG2 4.49Å; I6-F11 HydrophobicContact CD1-CB 3.91Å; I6-F11 HydrophobicContact CD1-CD2 4.08Å; I6-F11 HydrophobicContact CD1-CG 4.5Å; I6-F37 HydrophobicContact CD1-CD1 3.82Å; I6-F37 HydrophobicContact CD1-CD2 3.8Å; I6-F37 HydrophobicContact CD1-CE1 3.76Å; I6-F37 HydrophobicContact CD1-CE2 3.76Å; I6-F37 HydrophobicContact CD1-CG 3.84Å; I6-F37 HydrophobicContact CD1-CZ 3.74Å; I6-F37 HydrophobicContact CG2-CD1 4.4Å; I6-F37 HydrophobicContact CG2-CE1 4.15Å; I6-V42 HydrophobicContact CB-CG1 4.42Å; I6-V42 HydrophobicContact CD1-CG1 4.2Å; I6-V42 HydrophobicContact CG1-CG1 3.92Å; I6-V42 HydrophobicContact CG2-CG1 3.9Å; I6-V42 HydrophobicContact CG2-CG2 4.44Å; I6-L44 HydrophobicContact CD1-CD2 3.8Å; I6-L44 HydrophobicContact CG1-CD2 4.22Å; I6-I47 HydrophobicContact CG1-CD1 4.15Å; I6-I47 HydrophobicContact CG1-CG1 4.34Å
7T94.5Very high87.6Confident70 Ų7081.3 Ų81.343%0.42940%0.403SS..  trans-88.4162.6173.180.30000110.9E9 T10 F11T7-E9 WeakPolarHBondContact CB-OE2 3.24Å; T7-E9 PolarHBondContact O-N 2.94Å; T7-E9 PolarHBondContact OG1-N 3.05Å; T7-E9 PolarHBondContact OG1-OE2 2.96Å; T7-T10 PolarHBondContact O-N 3.39Å; T7-T10 PolarHBondContact OG1-N 3.44Å; T7-T10 PolarHBondContact OG1-OG1 2.7Å; T7-F11 PolarHBondContact O-N 2.57Å; T7-F11 VanDerWaalsContact O-N 3.15Å
8Q95Very high87.9Confident11 Ų1177.3 Ų77.35%0.05138%0.383CS..Hα-helixtrans-59.8-39.8174.1-173.169.449.600110.8T10 F11 D12 V48 H65 L101Q8-T10 VanDerWaalsContact C-N 3.32Å; Q8-T10 PolarHBondContact O-N 2.82Å; Q8-F11 PolarHBondContact O-N 2.69Å; Q8-F11 VanDerWaalsContact O-N 3.15Å; Q8-D12 PolarHBondContact NE2-OD1 3.08Å; Q8-D12 WeakPolarHBondContact O-CB 3.46Å; Q8-D12 VanDerWaalsContact O-CG 3.23Å; Q8-D12 PolarHBondContact O-N 2.91Å; Q8-V48 PolarHBondContact NE2-O 2.7Å; Q8-H65 PolarHBondContact NE2-NE2 2.91Å; Q8-L101 HydrophobicContact CB-CD1 3.76Å; Q8-L101 HydrophobicContact CG-CD1 3.83Å; Q8-L101 HydrophobicContact CG-CD2 4.03Å
9E92.9Very high88Confident92 Ų9275.9 Ų75.943%0.4338%0.376SS..Hα-helixtrans-63.5-38179-57.880.1-17600112T7 F11 A13 K105T7-E9 WeakPolarHBondContact CB-OE2 3.24Å; T7-E9 PolarHBondContact O-N 2.94Å; T7-E9 PolarHBondContact OG1-N 3.05Å; T7-E9 PolarHBondContact OG1-OE2 2.96Å; E9-F11 VanDerWaalsContact C-N 3.35Å; E9-A13 WeakPolarHBondContact O-CB 3.31Å; E9-A13 PolarHBondContact O-N 3.26Å; E9-K105 WeakPolarHBondContact OE1-CE 3.33Å; E9-K105 IonicContact OE1-NZ 3.62Å; E9-K105 PolarHBondContact OE1-NZ 2.71Å
10T94.3Very high88.2Confident69 Ų6979.2 Ų79.242%0.42339%0.39SS..Hα-helixtrans-65-40.4174.9-56.20000111.5I6 T7 Q8 A14 F37I6-T10 HydrophobicContact CB-CG2 4.33Å; I6-T10 HydrophobicContact CG2-CG2 4.49Å; T7-T10 PolarHBondContact O-N 3.39Å; T7-T10 PolarHBondContact OG1-N 3.44Å; T7-T10 PolarHBondContact OG1-OG1 2.7Å; Q8-T10 VanDerWaalsContact C-N 3.32Å; Q8-T10 PolarHBondContact O-N 2.82Å; T10-A14 PolarHBondContact O-N 2.86Å; T10-F37 HydrophobicContact CG2-CZ 4.37Å
11F95.4Very high88.4Confident1 Ų181.8 Ų81.80%0.00440%0.401CS..Hα-helixtrans-68.2-48.1177.7-176.6-95.9000111.6I6 T7 Q8 E9 A13 A14 V15 L30 A33 V34 F37 L44 I47I6-F11 HydrophobicContact CD1-CB 3.91Å; I6-F11 HydrophobicContact CD1-CD2 4.08Å; I6-F11 HydrophobicContact CD1-CG 4.5Å; T7-F11 PolarHBondContact O-N 2.57Å; T7-F11 VanDerWaalsContact O-N 3.15Å; Q8-F11 PolarHBondContact O-N 2.69Å; Q8-F11 VanDerWaalsContact O-N 3.15Å; E9-F11 VanDerWaalsContact C-N 3.35Å; F11-A13 VanDerWaalsContact C-N 3.27Å; F11-A13 PolarHBondContact O-N 3.16Å; F11-A14 PolarHBondContact O-N 3Å; F11-A14 VanDerWaalsContact O-N 3.15Å; F11-V15 HydrophobicContact CD1-CG2 4.19Å; F11-V15 HydrophobicContact CE1-CG2 3.82Å; F11-V15 HydrophobicContact CZ-CG2 4.14Å; F11-V15 WeakPolarHBondContact O-CG2 3.37Å; F11-V15 PolarHBondContact O-N 3.47Å; F11-L30 HydrophobicContact CE1-CD1 3.66Å; F11-L30 HydrophobicContact CZ-CD1 3.74Å; F11-A33 HydrophobicContact CE2-CB 4.15Å; F11-A33 HydrophobicContact CZ-CB 4.35Å; F11-V34 HydrophobicContact CE2-CG2 4.07Å; F11-V34 HydrophobicContact CZ-CG2 3.77Å; F11-F37 AromaticContact CD2-CD2 3.69Å; F11-F37 HydrophobicContact CD2-CD2 3.69Å; F11-F37 AromaticContact CD2-CE2 3.87Å; F11-F37 HydrophobicContact CD2-CE2 3.87Å; F11-F37 HydrophobicContact CE2-CD2 4.07Å; F11-L44 HydrophobicContact CD2-CD2 4.19Å; F11-L44 HydrophobicContact CE2-CD1 4.2Å; F11-L44 HydrophobicContact CE2-CD2 4.43Å; F11-I47 HydrophobicContact CB-CG2 3.83Å; F11-I47 HydrophobicContact CD1-CG2 3.45Å; F11-I47 VanDerWaalsContact CD1-CG2 3.45Å; F11-I47 HydrophobicContact CD2-CG2 3.86Å; F11-I47 HydrophobicContact CE1-CG2 3.9Å; F11-I47 HydrophobicContact CE2-CG2 4.28Å; F11-I47 HydrophobicContact CG-CG2 3.42Å; F11-I47 VanDerWaalsContact CG-CG2 3.42Å; F11-I47 HydrophobicContact CZ-CG2 4.3Å
12D93.8Very high90.5Very high23 Ų2376 Ų7612%0.12337%0.37CS..Hα-helixtrans-63-34.1179.1-66-10.2000111.8Q8 R16 H65Q8-D12 PolarHBondContact NE2-OD1 3.08Å; Q8-D12 WeakPolarHBondContact O-CB 3.46Å; Q8-D12 VanDerWaalsContact O-CG 3.23Å; Q8-D12 PolarHBondContact O-N 2.91Å; D12-R16 WeakPolarHBondContact O-CB 3.47Å; D12-R16 PolarHBondContact O-N 3.27Å; D12-H65 IonicContact OD1-CE1 3.86Å; D12-H65 IonicContact OD1-NE2 3.86Å; D12-H65 PolarHBondContact OD1-NE2 2.87Å; D12-H65 IonicContact OD2-CD2 2.89Å; D12-H65 IonicContact OD2-CE1 3.64Å; D12-H65 IonicContact OD2-NE2 3.71Å; D12-H65 PolarHBondContact OD2-NE2 3.43Å
13A92.8Very high92Very high50 Ų5078.8 Ų78.841%0.41337%0.37SS..Hα-helixtrans-65.1-43.1173.800000112E9 F11 R16 E17E9-A13 WeakPolarHBondContact O-CB 3.31Å; E9-A13 PolarHBondContact O-N 3.26Å; F11-A13 VanDerWaalsContact C-N 3.27Å; F11-A13 PolarHBondContact O-N 3.16Å; A13-R16 PolarHBondContact O-N 3.22Å; A13-E17 WeakPolarHBondContact O-CB 3.49Å; A13-E17 PolarHBondContact O-N 3.14Å
14A93.6Very high92.7Very high12 Ų1273.4 Ų73.410%0.09935%0.347CS..Hα-helixtrans-65.3-40.417700000112.2T10 F11 R16 E17 N18 F37T10-A14 PolarHBondContact O-N 2.86Å; F11-A14 PolarHBondContact O-N 3Å; F11-A14 VanDerWaalsContact O-N 3.15Å; A14-R16 VanDerWaalsContact C-N 3.32Å; A14-R16 PolarHBondContact O-N 3.05Å; A14-E17 PolarHBondContact O-N 3.4Å; A14-N18 WeakPolarHBondContact O-CB 3.29Å; A14-N18 VanDerWaalsContact O-CG 3.26Å; A14-N18 PolarHBondContact O-N 3.44Å; A14-N18 PolarHBondContact O-OD1 2.79Å; A14-F37 HydrophobicContact CB-CE2 3.78Å; A14-F37 HydrophobicContact CB-CZ 4.07Å
15V93.8Very high92.9Very high5 Ų569.6 Ų69.63%0.0334%0.338CS..Hα-helixtrans-62.2-42.4174.2176.70000110.7F11 N18 M19 A29 L30 A33 V51F11-V15 HydrophobicContact CD1-CG2 4.19Å; F11-V15 HydrophobicContact CE1-CG2 3.82Å; F11-V15 HydrophobicContact CZ-CG2 4.14Å; F11-V15 WeakPolarHBondContact O-CG2 3.37Å; F11-V15 PolarHBondContact O-N 3.47Å; V15-N18 WeakPolarHBondContact O-CB 3.31Å; V15-N18 PolarHBondContact O-N 2.93Å; V15-M19 HydrophobicContact CG1-SD 4.28Å; V15-M19 WeakPolarHBondContact O-CG 3.45Å; V15-M19 PolarHBondContact O-N 3.01Å; V15-A29 HydrophobicContact CG1-CB 4.17Å; V15-L30 HydrophobicContact CG2-CD1 4.14Å; V15-A33 HydrophobicContact CG2-CB 3.61Å; V15-V51 HydrophobicContact CG1-CG2 4.28Å
16R91.8Very high92.9Very high93 Ų9364.4 Ų64.435%0.35133%0.326SS..Hα-helixtrans-65.6-42.5177.8-168.1-172.4-42.7-129.4-3.3112.4D12 A13 A14 N18 M19 E20D12-R16 WeakPolarHBondContact O-CB 3.47Å; D12-R16 PolarHBondContact O-N 3.27Å; A13-R16 PolarHBondContact O-N 3.22Å; A14-R16 VanDerWaalsContact C-N 3.32Å; A14-R16 PolarHBondContact O-N 3.05Å; R16-N18 VanDerWaalsContact C-N 3.33Å; R16-N18 PolarHBondContact O-N 2.82Å; R16-M19 PolarHBondContact O-N 2.92Å; R16-M19 VanDerWaalsContact O-N 3.16Å; R16-E20 WeakPolarHBondContact CD-OE1 3.24Å; R16-E20 HydrophobicContact CG-CG 4.23Å; R16-E20 VanDerWaalsContact CG-OE1 3.24Å; R16-E20 WeakPolarHBondContact CG-OE1 3.35Å; R16-E20 WeakPolarHBondContact O-CB 3.43Å; R16-E20 WeakPolarHBondContact O-CG 3.46Å; R16-E20 PolarHBondContact O-N 3.49Å
17E92.3Very high92.8Very high95 Ų9567.4 Ų67.444%0.44434%0.343SS..Hα-helixtrans-58.8-44.9174-173.5-178.9161.700110.8A13 A14 M19 E20 E21A13-E17 WeakPolarHBondContact O-CB 3.49Å; A13-E17 PolarHBondContact O-N 3.14Å; A14-E17 PolarHBondContact O-N 3.4Å; E17-M19 VanDerWaalsContact C-N 3.3Å; E17-M19 PolarHBondContact O-N 3.46Å; E17-E20 PolarHBondContact O-N 2.8Å; E17-E21 HydrophobicContact CG-CG 4.03Å; E17-E21 WeakPolarHBondContact O-CB 3.46Å; E17-E21 PolarHBondContact O-N 2.86Å
18N92.3Very high92.8Very high9 Ų968.1 Ų68.15%0.04834%0.341CS..Hα-helixtrans-57.9-41.1174-73.6-4.2000112.5A14 V15 R16 F22 M24 A29A14-N18 WeakPolarHBondContact O-CB 3.29Å; A14-N18 VanDerWaalsContact O-CG 3.26Å; A14-N18 PolarHBondContact O-N 3.44Å; A14-N18 PolarHBondContact O-OD1 2.79Å; V15-N18 WeakPolarHBondContact O-CB 3.31Å; V15-N18 PolarHBondContact O-N 2.93Å; R16-N18 VanDerWaalsContact C-N 3.33Å; R16-N18 PolarHBondContact O-N 2.82Å; N18-F22 WeakPolarHBondContact O-CB 3.33Å; N18-F22 PolarHBondContact O-N 2.87Å; N18-M24 HydrophobicContact CB-SD 3.79Å; N18-M24 PolarHBondContact O-N 3.24Å; N18-A29 HydrophobicContact CB-CB 3.69Å; N18-A29 PolarHBondContact ND2-O 3.17Å
19M91.1Very high92.7Very high52 Ų5267.6 Ų67.626%0.25634%0.339SS..Hα-helixtrans-71.9-42.8177.8-67.1174.461.600113V15 R16 E17 E23 P26 A29 V51V15-M19 HydrophobicContact CG1-SD 4.28Å; V15-M19 WeakPolarHBondContact O-CG 3.45Å; V15-M19 PolarHBondContact O-N 3.01Å; R16-M19 PolarHBondContact O-N 2.92Å; R16-M19 VanDerWaalsContact O-N 3.16Å; E17-M19 VanDerWaalsContact C-N 3.3Å; E17-M19 PolarHBondContact O-N 3.46Å; M19-E23 VanDerWaalsContact O-CA 3.25Å; M19-E23 WeakPolarHBondContact O-CA 2.9Å; M19-E23 PolarHBondContact O-N 3.01Å; M19-P26 HydrophobicContact CE-CB 4.3Å; M19-P26 HydrophobicContact CE-CG 3.9Å; M19-P26 HydrophobicContact SD-CB 4.44Å; M19-A29 HydrophobicContact CG-CB 3.4Å; M19-A29 VanDerWaalsContact CG-CB 3.4Å; M19-A29 HydrophobicContact SD-CB 4.44Å; M19-V51 HydrophobicContact SD-CG1 4.28Å
20E91.6Very high92.9Very high140 Ų14064.3 Ų64.365%0.65432%0.324SS*.Hα-helixtrans-83-43.3-172.7-71177.2-174.100112.8R16 E17R16-E20 WeakPolarHBondContact CD-OE1 3.24Å; R16-E20 HydrophobicContact CG-CG 4.23Å; R16-E20 VanDerWaalsContact CG-OE1 3.24Å; R16-E20 WeakPolarHBondContact CG-OE1 3.35Å; R16-E20 WeakPolarHBondContact O-CB 3.43Å; R16-E20 WeakPolarHBondContact O-CG 3.46Å; R16-E20 PolarHBondContact O-N 3.49Å; E17-E20 PolarHBondContact O-N 2.8Å
21E92.5Very high92.9Very high134 Ų13467.5 Ų67.563%0.62633%0.328SS*.Hα-helixtrans-86.3-31.2-175.9-61.3-16317300112.8E17E17-E21 HydrophobicContact CG-CG 4.03Å; E17-E21 WeakPolarHBondContact O-CB 3.46Å; E17-E21 PolarHBondContact O-N 2.86Å
22F90.5Very high93Very high119 Ų11971.4 Ų71.452%0.52235%0.347SS..SBendtrans-111.54.3-176.6-54.4-91.3000113.6N18 M24N18-F22 WeakPolarHBondContact O-CB 3.33Å; N18-F22 PolarHBondContact O-N 2.87Å; F22-M24 HydrophobicContact CB-CE 3.66Å; F22-M24 HydrophobicContact CB-CG 4Å; F22-M24 HydrophobicContact CB-SD 4.18Å; F22-M24 HydrophobicContact CG-CE 4.1Å; F22-M24 PolarHBondContact O-N 2.95Å; F22-M24 VanDerWaalsContact O-N 3.09Å
23E90.8Very high93.1Very high180 Ų18070.3 Ų70.384%0.84134%0.341SS*.  trans53.327.8178.6-59.1-175.4169.200113.7M19M19-E23 VanDerWaalsContact O-CA 3.25Å; M19-E23 WeakPolarHBondContact O-CA 2.9Å; M19-E23 PolarHBondContact O-N 3.01Å
24M92Very high93.2Very high27 Ų2769 Ų6913%0.13333%0.327CS..  trans-69.9148.7-180-67.8171.8-178.700111.3N18 F22 E28 A29 E32N18-M24 HydrophobicContact CB-SD 3.79Å; N18-M24 PolarHBondContact O-N 3.24Å; F22-M24 HydrophobicContact CB-CE 3.66Å; F22-M24 HydrophobicContact CB-CG 4Å; F22-M24 HydrophobicContact CB-SD 4.18Å; F22-M24 HydrophobicContact CG-CE 4.1Å; F22-M24 PolarHBondContact O-N 2.95Å; F22-M24 VanDerWaalsContact O-N 3.09Å; M24-E28 HydrophobicContact CB-CB 4.37Å; M24-E28 HydrophobicContact CB-CG 4.24Å; M24-E28 HydrophobicContact CG-CG 4.23Å; M24-E28 HydrophobicContact SD-CG 4.44Å; M24-A29 HydrophobicContact CB-CB 4Å; M24-E32 VanDerWaalsContact CE-CD 3.45Å; M24-E32 WeakPolarHBondContact CE-OE2 3.09Å
25D93.9Very high93.4Very high73 Ų7374.9 Ų74.939%0.3935%0.353SS..  trans-66.5155168.888.5-118.5000110.9D27 E28 A29D25-D27 VanDerWaalsContact C-N 3.3Å; D25-D27 PolarHBondContact O-N 2.98Å; D25-D27 WeakPolarHBondContact OD2-CA 3.31Å; D25-D27 WeakPolarHBondContact OD2-CB 3.49Å; D25-D27 PolarHBondContact OD2-N 2.71Å; D25-E28 PolarHBondContact O-N 2.87Å; D25-E28 VanDerWaalsContact O-N 3.12Å; D25-E28 WeakPolarHBondContact OD1-CB 3.14Å; D25-E28 PolarHBondContact OD2-N 3.46Å; D25-A29 WeakPolarHBondContact O-CB 3.16Å; D25-A29 PolarHBondContact O-N 2.96Å
26P91.3Very high93.5Very high59 Ų5978.7 Ų78.738%0.38337%0.37SS..Hα-helixtrans-55-39.1-176.5-26.433.8000115M19 L30 V51M19-P26 HydrophobicContact CE-CB 4.3Å; M19-P26 HydrophobicContact CE-CG 3.9Å; M19-P26 HydrophobicContact SD-CB 4.44Å; P26-L30 VanDerWaalsContact O-CB 3.3Å; P26-L30 WeakPolarHBondContact O-CB 3.42Å; P26-L30 PolarHBondContact O-N 3.42Å; P26-L30 VanDerWaalsContact O-N 3.13Å; P26-V51 HydrophobicContact CB-CB 4.43Å; P26-V51 HydrophobicContact CB-CG1 4.31Å; P26-V51 HydrophobicContact CB-CG2 3.95Å; P26-V51 WeakPolarHBondContact O-CG2 3.48Å
27D92.7Very high93.7Very high102 Ų10275.2 Ų75.255%0.54536%0.358SS..Hα-helixtrans-74.8-35.6-179.8-69.2-30.1000111D25 R31D25-D27 VanDerWaalsContact C-N 3.3Å; D25-D27 PolarHBondContact O-N 2.98Å; D25-D27 WeakPolarHBondContact OD2-CA 3.31Å; D25-D27 WeakPolarHBondContact OD2-CB 3.49Å; D25-D27 PolarHBondContact OD2-N 2.71Å; D27-R31 VanDerWaalsContact O-CG 3.3Å; D27-R31 WeakPolarHBondContact O-CG 3.44Å; D27-R31 PolarHBondContact O-N 3.45Å; D27-R31 VanDerWaalsContact O-N 3.09Å
28E94.1Very high93.8Very high84 Ų8475.5 Ų75.539%0.39336%0.359SS..Hα-helixtrans-64.8-51.9172.9-178.5172.2-144.100111.8M24 D25 L30 R31 E32M24-E28 HydrophobicContact CB-CB 4.37Å; M24-E28 HydrophobicContact CB-CG 4.24Å; M24-E28 HydrophobicContact CG-CG 4.23Å; M24-E28 HydrophobicContact SD-CG 4.44Å; D25-E28 PolarHBondContact O-N 2.87Å; D25-E28 VanDerWaalsContact O-N 3.12Å; D25-E28 WeakPolarHBondContact OD1-CB 3.14Å; D25-E28 PolarHBondContact OD2-N 3.46Å; E28-L30 VanDerWaalsContact C-N 3.26Å; E28-L30 PolarHBondContact O-N 2.91Å; E28-R31 PolarHBondContact O-N 3.43Å; E28-R31 VanDerWaalsContact O-N 3.1Å; E28-E32 PolarHBondContact O-N 3.38Å
29A94.3Very high93.9Very high0 Ų079.9 Ų79.90%039%0.391CS..Hα-helixtrans-56.3-41.3178.500000112.3V15 N18 M19 M24 D25 A33V15-A29 HydrophobicContact CG1-CB 4.17Å; N18-A29 HydrophobicContact CB-CB 3.69Å; N18-A29 PolarHBondContact ND2-O 3.17Å; M19-A29 HydrophobicContact CG-CB 3.4Å; M19-A29 VanDerWaalsContact CG-CB 3.4Å; M19-A29 HydrophobicContact SD-CB 4.44Å; M24-A29 HydrophobicContact CB-CB 4Å; D25-A29 WeakPolarHBondContact O-CB 3.16Å; D25-A29 PolarHBondContact O-N 2.96Å; A29-A33 WeakPolarHBondContact O-CB 3.47Å; A29-A33 PolarHBondContact O-N 2.96Å
30L95.2Very high94.1Very high24 Ų2481.8 Ų81.813%0.12640%0.399CS..Hα-helixtrans-65.2-47176178.367.6000112F11 V15 P26 E28 E32 A33 V34 K49 V51F11-L30 HydrophobicContact CE1-CD1 3.66Å; F11-L30 HydrophobicContact CZ-CD1 3.74Å; V15-L30 HydrophobicContact CG2-CD1 4.14Å; P26-L30 VanDerWaalsContact O-CB 3.3Å; P26-L30 WeakPolarHBondContact O-CB 3.42Å; P26-L30 PolarHBondContact O-N 3.42Å; P26-L30 VanDerWaalsContact O-N 3.13Å; E28-L30 VanDerWaalsContact C-N 3.26Å; E28-L30 PolarHBondContact O-N 2.91Å; L30-E32 VanDerWaalsContact C-N 3.33Å; L30-E32 PolarHBondContact O-N 2.93Å; L30-A33 PolarHBondContact O-N 2.98Å; L30-V34 VanDerWaalsContact O-CG2 3.32Å; L30-V34 WeakPolarHBondContact O-CG2 3.44Å; L30-V34 PolarHBondContact O-N 2.91Å; L30-K49 HydrophobicContact CD1-CB 4.49Å; L30-K49 WeakPolarHBondContact CD2-O 3.49Å; L30-V51 HydrophobicContact CB-CG2 4.15Å; L30-V51 HydrophobicContact CD2-CG2 4.44Å
31R96.1Very high94.2Very high136 Ų13677.2 Ų77.251%0.51339%0.389SS..Hα-helixtrans-60-45.5177.7-77.8-173-57.2-95.4-0.2110.9D27 E28 V34 E35D27-R31 VanDerWaalsContact O-CG 3.3Å; D27-R31 WeakPolarHBondContact O-CG 3.44Å; D27-R31 PolarHBondContact O-N 3.45Å; D27-R31 VanDerWaalsContact O-N 3.09Å; E28-R31 PolarHBondContact O-N 3.43Å; E28-R31 VanDerWaalsContact O-N 3.1Å; R31-V34 PolarHBondContact O-N 3.3Å; R31-E35 PolarHBondContact O-N 3.49Å
32E95.9Very high94.3Very high83 Ų8371.3 Ų71.339%0.38836%0.362SS..Hα-helixtrans-63.9-43.9-179.6-174.2156.516600112M24 E28 L30 V34 E35 Q36M24-E32 VanDerWaalsContact CE-CD 3.45Å; M24-E32 WeakPolarHBondContact CE-OE2 3.09Å; E28-E32 PolarHBondContact O-N 3.38Å; L30-E32 VanDerWaalsContact C-N 3.33Å; L30-E32 PolarHBondContact O-N 2.93Å; E32-V34 VanDerWaalsContact C-N 3.33Å; E32-V34 PolarHBondContact O-N 3.11Å; E32-E35 PolarHBondContact O-N 3.31Å; E32-Q36 VanDerWaalsContact O-CB 3.26Å; E32-Q36 WeakPolarHBondContact O-CB 3.3Å; E32-Q36 PolarHBondContact O-N 3.26Å
33A95.9Very high94.5Very high0 Ų067.3 Ų67.30%035%0.346CS..Hα-helixtrans-60.9-41.2175.200000112F11 V15 A29 L30 Q36 F37F11-A33 HydrophobicContact CE2-CB 4.15Å; F11-A33 HydrophobicContact CZ-CB 4.35Å; V15-A33 HydrophobicContact CG2-CB 3.61Å; A29-A33 WeakPolarHBondContact O-CB 3.47Å; A29-A33 PolarHBondContact O-N 2.96Å; L30-A33 PolarHBondContact O-N 2.98Å; A33-Q36 PolarHBondContact O-N 2.95Å; A33-F37 WeakPolarHBondContact O-CD2 3.45Å; A33-F37 PolarHBondContact O-N 3.37Å
34V96.5Very high94.7Very high21 Ų2159.1 Ų59.113%0.12731%0.308CS..Hα-helixtrans-60.3-50.8175.41710000110.8F11 L30 R31 E32 Q36 F37 E38 L44 K49F11-V34 HydrophobicContact CE2-CG2 4.07Å; F11-V34 HydrophobicContact CZ-CG2 3.77Å; L30-V34 VanDerWaalsContact O-CG2 3.32Å; L30-V34 WeakPolarHBondContact O-CG2 3.44Å; L30-V34 PolarHBondContact O-N 2.91Å; R31-V34 PolarHBondContact O-N 3.3Å; E32-V34 VanDerWaalsContact C-N 3.33Å; E32-V34 PolarHBondContact O-N 3.11Å; V34-Q36 VanDerWaalsContact C-N 3.35Å; V34-Q36 PolarHBondContact O-N 3.39Å; V34-F37 PolarHBondContact O-N 3.39Å; V34-E38 HydrophobicContact CG1-CG 4.28Å; V34-E38 WeakPolarHBondContact CG1-OE1 3.45Å; V34-E38 WeakPolarHBondContact O-CB 3.37Å; V34-E38 VanDerWaalsContact O-CG 3.3Å; V34-E38 WeakPolarHBondContact O-CG 3.4Å; V34-E38 PolarHBondContact O-N 3.03Å; V34-L44 HydrophobicContact CB-CD1 4.39Å; V34-L44 HydrophobicContact CG1-CD1 4.12Å; V34-L44 HydrophobicContact CG2-CD1 4.35Å; V34-K49 HydrophobicContact CG2-CD 4.04Å; V34-K49 HydrophobicContact CG2-CG 4.37Å
35E96.4Very high94.7Very high136 Ų13661 Ų6164%0.63632%0.324SS*.Hα-helixtrans-62.8-40.5179.8-72-176.4-173.300112.2R31 E32 F37 E38 S39R31-E35 PolarHBondContact O-N 3.49Å; E32-E35 PolarHBondContact O-N 3.31Å; E35-F37 PolarHBondContact O-N 3.07Å; E35-E38 PolarHBondContact O-N 2.68Å; E35-S39 VanDerWaalsContact O-CB 3.24Å; E35-S39 WeakPolarHBondContact O-CB 3.43Å; E35-S39 PolarHBondContact O-N 3.48Å; E35-S39 PolarHBondContact O-OG 2.91Å
36Q95.5Very high94.7Very high86 Ų8658.3 Ų58.340%0.40231%0.311SS..Hα-helixtrans-62.9-43.4178.5-170.5-164.98.800111.9E32 A33 V34 S39 Q40E32-Q36 VanDerWaalsContact O-CB 3.26Å; E32-Q36 WeakPolarHBondContact O-CB 3.3Å; E32-Q36 PolarHBondContact O-N 3.26Å; A33-Q36 PolarHBondContact O-N 2.95Å; V34-Q36 VanDerWaalsContact C-N 3.35Å; V34-Q36 PolarHBondContact O-N 3.39Å; Q36-S39 PolarHBondContact O-OG 2.89Å; Q36-Q40 WeakPolarHBondContact O-CG 3.38Å; Q36-Q40 PolarHBondContact O-N 3.4Å; Q36-Q40 PolarHBondContact O-NE2 3.07Å
37F96.1Very high95Very high20 Ų2056 Ų569%0.08830%0.295CS..Hα-helixtrans-76-39.1178.6-78.3-59.7000112.4I6 T10 F11 A14 A33 V34 E35 Q40 G41 V42 L44I6-F37 HydrophobicContact CD1-CD1 3.82Å; I6-F37 HydrophobicContact CD1-CD2 3.8Å; I6-F37 HydrophobicContact CD1-CE1 3.76Å; I6-F37 HydrophobicContact CD1-CE2 3.76Å; I6-F37 HydrophobicContact CD1-CG 3.84Å; I6-F37 HydrophobicContact CD1-CZ 3.74Å; I6-F37 HydrophobicContact CG2-CD1 4.4Å; I6-F37 HydrophobicContact CG2-CE1 4.15Å; T10-F37 HydrophobicContact CG2-CZ 4.37Å; F11-F37 AromaticContact CD2-CD2 3.69Å; F11-F37 HydrophobicContact CD2-CD2 3.69Å; F11-F37 AromaticContact CD2-CE2 3.87Å; F11-F37 HydrophobicContact CD2-CE2 3.87Å; F11-F37 HydrophobicContact CE2-CD2 4.07Å; A14-F37 HydrophobicContact CB-CE2 3.78Å; A14-F37 HydrophobicContact CB-CZ 4.07Å; A33-F37 WeakPolarHBondContact O-CD2 3.45Å; A33-F37 PolarHBondContact O-N 3.37Å; V34-F37 PolarHBondContact O-N 3.39Å; E35-F37 PolarHBondContact O-N 3.07Å; F37-Q40 PolarHBondContact O-N 3.39Å; F37-G41 PolarHBondContact O-N 2.95Å; F37-V42 HydrophobicContact CB-CB 4.04Å; F37-V42 HydrophobicContact CB-CG1 4.43Å; F37-V42 HydrophobicContact CB-CG2 4.39Å; F37-V42 HydrophobicContact CD1-CB 4.41Å; F37-V42 HydrophobicContact CD1-CG2 3.99Å; F37-V42 VanDerWaalsContact O-CB 3.28Å; F37-V42 WeakPolarHBondContact O-CB 3.39Å; F37-V42 PolarHBondContact O-N 3.45Å; F37-L44 HydrophobicContact CB-CD1 4.15Å; F37-L44 HydrophobicContact CB-CD2 3.99Å; F37-L44 HydrophobicContact CB-CG 4.38Å; F37-L44 HydrophobicContact CG-CD2 4.46Å
38E95.3Very high95.1Very high100 Ų10051.4 Ų51.447%0.46727%0.271SS..Hα-helixtrans-66.2-38.1177.9-72.4-179.2177.700111.6V34 E35 Q40 G41 L44 K49V34-E38 HydrophobicContact CG1-CG 4.28Å; V34-E38 WeakPolarHBondContact CG1-OE1 3.45Å; V34-E38 WeakPolarHBondContact O-CB 3.37Å; V34-E38 VanDerWaalsContact O-CG 3.3Å; V34-E38 WeakPolarHBondContact O-CG 3.4Å; V34-E38 PolarHBondContact O-N 3.03Å; E35-E38 PolarHBondContact O-N 2.68Å; E38-Q40 VanDerWaalsContact C-N 3.25Å; E38-Q40 PolarHBondContact O-N 2.93Å; E38-G41 WeakPolarHBondContact O-CA 3.44Å; E38-G41 PolarHBondContact O-N 3.4Å; E38-L44 HydrophobicContact CG-CD1 3.84Å; E38-L44 HydrophobicContact CG-CG 4.39Å; E38-K49 IonicContact OE1-NZ 3.74Å; E38-K49 PolarHBondContact OE1-NZ 3.29Å
39S95Very high95.1Very high102 Ų10251.5 Ų51.571%0.71327%0.27SS*.Hα-helixtrans-65.1-27.1173.964.40000113.3E35 Q36 G41E35-S39 VanDerWaalsContact O-CB 3.24Å; E35-S39 WeakPolarHBondContact O-CB 3.43Å; E35-S39 PolarHBondContact O-N 3.48Å; E35-S39 PolarHBondContact O-OG 2.91Å; Q36-S39 PolarHBondContact O-OG 2.89Å; S39-G41 PolarHBondContact O-N 3.4Å
40Q94.6Very high94.9Very high92 Ų9255.5 Ų55.543%0.4329%0.294SS..THydrogen-bonded Turntrans-81.31.5170.9-69.8176.966.200113.6Q36 F37 E38 V42Q36-Q40 WeakPolarHBondContact O-CG 3.38Å; Q36-Q40 PolarHBondContact O-N 3.4Å; Q36-Q40 PolarHBondContact O-NE2 3.07Å; F37-Q40 PolarHBondContact O-N 3.39Å; E38-Q40 VanDerWaalsContact C-N 3.25Å; E38-Q40 PolarHBondContact O-N 2.93Å; Q40-V42 VanDerWaalsContact C-N 3.33Å; Q40-V42 HydrophobicContact CB-CG2 4.26Å
41G93.1Very high94.5Very high44 Ų4456 Ų5645%0.45430%0.298SS..THydrogen-bonded Turntrans72.223.5-178.300000114.2F37 E38 S39F37-G41 PolarHBondContact O-N 2.95Å; E38-G41 WeakPolarHBondContact O-CA 3.44Å; E38-G41 PolarHBondContact O-N 3.4Å; S39-G41 PolarHBondContact O-N 3.4Å
42V95.1Very high93.8Very high9 Ų950.1 Ų50.16%0.05528%0.278CS..BIsolated β-bridgetrans-76136.1174179.30000110.2R4 I6 F37 Q40 L44R4-V42 HydrophobicContact CB-CG2 4.24Å; R4-V42 HydrophobicContact CG-CG2 4.26Å; R4-V42 CarbonylContact O-C 3.5Å; R4-V42 VanDerWaalsContact O-CA 3.32Å; R4-V42 WeakPolarHBondContact O-CA 3.34Å; I6-V42 HydrophobicContact CB-CG1 4.42Å; I6-V42 HydrophobicContact CD1-CG1 4.2Å; I6-V42 HydrophobicContact CG1-CG1 3.92Å; I6-V42 HydrophobicContact CG2-CG1 3.9Å; I6-V42 HydrophobicContact CG2-CG2 4.44Å; F37-V42 HydrophobicContact CB-CB 4.04Å; F37-V42 HydrophobicContact CB-CG1 4.43Å; F37-V42 HydrophobicContact CB-CG2 4.39Å; F37-V42 HydrophobicContact CD1-CB 4.41Å; F37-V42 HydrophobicContact CD1-CG2 3.99Å; F37-V42 VanDerWaalsContact O-CB 3.28Å; F37-V42 WeakPolarHBondContact O-CB 3.39Å; F37-V42 PolarHBondContact O-N 3.45Å; Q40-V42 VanDerWaalsContact C-N 3.33Å; Q40-V42 HydrophobicContact CB-CG2 4.26Å; V42-L44 HydrophobicContact CG1-CD2 3.89Å
43D94.2Very high92.7Very high36 Ų3648.2 Ų48.219%0.19328%0.276CS..  trans-86.1107.7173.6-177.31.4000110.6K3 R4 S45K3-D43 HydrophobicContact CB-CB 3.81Å; K3-D43 HydrophobicContact CD-CB 3.89Å; R4-D43 PolarHBondContact O-N 3.17Å; D43-S45 VanDerWaalsContact CG-OG 3.28Å; D43-S45 WeakPolarHBondContact OD1-CB 3.48Å; D43-S45 PolarHBondContact OD1-N 2.74Å; D43-S45 PolarHBondContact OD1-OG 3Å; D43-S45 PolarHBondContact OD2-OG 3.42Å
44L94.9Very high91.2Very high7 Ų752 Ų524%0.03731%0.307CS..  trans-92.312.4180-59.1-179.3000113.7I6 F11 V34 F37 E38 V42 C46 I47I6-L44 HydrophobicContact CD1-CD2 3.8Å; I6-L44 HydrophobicContact CG1-CD2 4.22Å; F11-L44 HydrophobicContact CD2-CD2 4.19Å; F11-L44 HydrophobicContact CE2-CD1 4.2Å; F11-L44 HydrophobicContact CE2-CD2 4.43Å; V34-L44 HydrophobicContact CB-CD1 4.39Å; V34-L44 HydrophobicContact CG1-CD1 4.12Å; V34-L44 HydrophobicContact CG2-CD1 4.35Å; F37-L44 HydrophobicContact CB-CD1 4.15Å; F37-L44 HydrophobicContact CB-CD2 3.99Å; F37-L44 HydrophobicContact CB-CG 4.38Å; F37-L44 HydrophobicContact CG-CD2 4.46Å; E38-L44 HydrophobicContact CG-CD1 3.84Å; E38-L44 HydrophobicContact CG-CG 4.39Å; V42-L44 HydrophobicContact CG1-CD2 3.89Å; L44-C46 PolarHBondContact O-N 3.49Å; L44-C46 VanDerWaalsContact O-N 3.12Å; L44-I47 HydrophobicContact CB-CB 4.37Å; L44-I47 HydrophobicContact CB-CG1 4.45Å; L44-I47 HydrophobicContact CD2-CB 4.43Å; L44-I47 HydrophobicContact CD2-CG1 3.95Å; L44-I47 PolarHBondContact O-N 3.09Å; L44-I47 VanDerWaalsContact O-N 3.08Å
45S93.1Very high89.1Confident66 Ų6652.9 Ų52.946%0.46231%0.314SS..THydrogen-bonded Turntrans-60.4-22.1-178.454.90000114.8D43D43-S45 VanDerWaalsContact CG-OG 3.28Å; D43-S45 WeakPolarHBondContact OD1-CB 3.48Å; D43-S45 PolarHBondContact OD1-N 2.74Å; D43-S45 PolarHBondContact OD1-OG 3Å; D43-S45 PolarHBondContact OD2-OG 3.42Å
46C94.4Very high86.9Confident18 Ų1852 Ų5212%0.12232%0.324CS..THydrogen-bonded Turntrans-101.65.3179.6-57.10000113.3L44 Y100L44-C46 PolarHBondContact O-N 3.49Å; L44-C46 VanDerWaalsContact O-N 3.12Å; C46-Y100 HydrophobicContact CB-CD1 3.69Å; C46-Y100 HydrophobicContact CB-CE1 3.92Å; C46-Y100 HydrophobicContact CB-CG 4.11Å
47I96.3Very high84.6Confident10 Ų1053.8 Ų53.85%0.05134%0.336CS..SBendtrans-104.7129.8-173.7-60.2-60.8000109.8I6 F11 L44 K49 A97I6-I47 HydrophobicContact CG1-CD1 4.15Å; I6-I47 HydrophobicContact CG1-CG1 4.34Å; F11-I47 HydrophobicContact CB-CG2 3.83Å; F11-I47 HydrophobicContact CD1-CG2 3.45Å; F11-I47 VanDerWaalsContact CD1-CG2 3.45Å; F11-I47 HydrophobicContact CD2-CG2 3.86Å; F11-I47 HydrophobicContact CE1-CG2 3.9Å; F11-I47 HydrophobicContact CE2-CG2 4.28Å; F11-I47 HydrophobicContact CG-CG2 3.42Å; F11-I47 VanDerWaalsContact CG-CG2 3.42Å; F11-I47 HydrophobicContact CZ-CG2 4.3Å; L44-I47 HydrophobicContact CB-CB 4.37Å; L44-I47 HydrophobicContact CB-CG1 4.45Å; L44-I47 HydrophobicContact CD2-CB 4.43Å; L44-I47 HydrophobicContact CD2-CG1 3.95Å; L44-I47 PolarHBondContact O-N 3.09Å; L44-I47 VanDerWaalsContact O-N 3.08Å; I47-K49 PolarHBondContact O-N 3.02Å; I47-A97 VanDerWaalsContact C-CB 3.41Å; I47-A97 VanDerWaalsContact O-CB 3.27Å; I47-A97 WeakPolarHBondContact O-CB 3.24Å
48V95.4Very high82.1Confident6 Ų660.7 Ų60.74%0.03637%0.374CS..  trans-73.7112.4171.4-178.90000107.3Q8 V50 H65 A97 Q98 L101Q8-V48 PolarHBondContact NE2-O 2.7Å; V48-V50 VanDerWaalsContact C-N 3.3Å; V48-V50 HydrophobicContact CG1-CB 4.16Å; V48-V50 HydrophobicContact CG1-CG2 4.27Å; V48-V50 PolarHBondContact O-N 3.11Å; V48-H65 WeakPolarHBondContact CG1-ND1 3.42Å; V48-A97 HydrophobicContact CG2-CB 3.94Å; V48-Q98 HydrophobicContact CG2-CG 4.13Å; V48-L101 HydrophobicContact CB-CD2 4.49Å; V48-L101 HydrophobicContact CG2-CB 4.23Å; V48-L101 HydrophobicContact CG2-CD2 3.81Å
49K94Very high79.6Confident85 Ų8562.5 Ų62.537%0.3739%0.387SS..  trans-93.858.6-178.1-57.4-178.7-179.7-167.10110.1L30 V34 E38 I47L30-K49 HydrophobicContact CD1-CB 4.49Å; L30-K49 WeakPolarHBondContact CD2-O 3.49Å; V34-K49 HydrophobicContact CG2-CD 4.04Å; V34-K49 HydrophobicContact CG2-CG 4.37Å; E38-K49 IonicContact OE1-NZ 3.74Å; E38-K49 PolarHBondContact OE1-NZ 3.29Å; I47-K49 PolarHBondContact O-N 3.02Å
50V90.9Very high77.1Confident84 Ų8467.2 Ų67.251%0.50940%0.397SS..SBendtrans-139.6139.1177.7-179.70000107.3V48 H65V48-V50 VanDerWaalsContact C-N 3.3Å; V48-V50 HydrophobicContact CG1-CB 4.16Å; V48-V50 HydrophobicContact CG1-CG2 4.27Å; V48-V50 PolarHBondContact O-N 3.11Å; V50-H65 PolarHBondContact O-CE1 3.42Å
51V86.4Confident74.8Confident34 Ų3471 Ų7121%0.20642%0.415CS..PPolyproline II helixtrans-69.5126.9175.5-176.50000108.9V15 M19 P26 L30 A53V15-V51 HydrophobicContact CG1-CG2 4.28Å; M19-V51 HydrophobicContact SD-CG1 4.28Å; P26-V51 HydrophobicContact CB-CB 4.43Å; P26-V51 HydrophobicContact CB-CG1 4.31Å; P26-V51 HydrophobicContact CB-CG2 3.95Å; P26-V51 WeakPolarHBondContact O-CG2 3.48Å; L30-V51 HydrophobicContact CB-CG2 4.15Å; L30-V51 HydrophobicContact CD2-CG2 4.44Å; V51-A53 PolarHBondContact O-N 3.33Å
52P80.3Confident73.1Confident14 Ų1476.4 Ų76.49%0.09143%0.428CS..PPolyproline II helixtrans-58.6134.8-179.2-24.834.5000112.4Q63P52-Q63 HydrophobicContact CB-CB 3.83Å
53A72.9Confident71.8Confident42 Ų4280.1 Ų80.135%0.34745%0.445SS..BIsolated β-bridgetrans-73.8148.4175.200000110.9V51 S55 Q63 T64V51-A53 PolarHBondContact O-N 3.33Å; A53-S55 PolarHBondContact O-N 3.47Å; A53-Q63 WeakPolarHBondContact O-CA 3.33Å; A53-T64 PolarHBondContact O-N 3.42Å
54A63.8Low71.3Confident79 Ų7980.4 Ų80.465%0.65345%0.448SS*.PPolyproline II helixtrans-61.2129.1169.700000109.7
55S54.3Low71.1Confident40 Ų4080.6 Ų80.628%0.2845%0.449SS..PPolyproline II helixtrans-69141.3175.4570000109.9A53 N57 E62A53-S55 PolarHBondContact O-N 3.47Å; S55-N57 PolarHBondContact O-N 3.05Å; S55-N57 VanDerWaalsContact O-N 3.11Å; S55-E62 PolarHBondContact OG-O 3.06Å; S55-E62 VanDerWaalsContact OG-O 3.06Å
56S48.9Very low71.1Confident119 Ų11982.3 Ų82.383%0.83245%0.449SS*.SBendtrans-72.94.8-178.857.60000114.2
57N48.2Very low71.1Confident122 Ų12281.5 Ų81.565%0.65244%0.444SS*.SBendtrans-93.9129.8176.1-74-18.1000108.3S55 N59S55-N57 PolarHBondContact O-N 3.05Å; S55-N57 VanDerWaalsContact O-N 3.11Å; N57-N59 PolarHBondContact O-N 3.42Å
58D42.5Very low71Confident166 Ų16682 Ų8289%0.88845%0.447SS*.SBendtrans-56.48.7-174.8-79.4-37.1000116.8Q60D58-Q60 PolarHBondContact O-N 2.96Å
59N43Very low70.8Confident138 Ų13884.4 Ų84.474%0.73846%0.458SS*.  trans-91.399.3169.2-73.5-8.7000109.5N57 E61N57-N59 PolarHBondContact O-N 3.42Å; N59-E61 PolarHBondContact O-N 2.93Å
60Q42.6Very low70.8Confident201 Ų20180.7 Ų80.794%0.93944%0.442SS*.THydrogen-bonded Turntrans-6114.2-172.8-69.6177.7-2300117.1D58D58-Q60 PolarHBondContact O-N 2.96Å
61E47.4Very low71Confident171 Ų17176.7 Ų76.780%0.79942%0.418SS*.THydrogen-bonded Turntrans-115.3-13.7-165.8-72.5-175.2168.100116.9N59N59-E61 PolarHBondContact O-N 2.93Å
62E56.1Low71.3Confident158 Ų15879.2 Ų79.274%0.73843%0.428SS*.  trans-124.788.2179.3-71.2-17517400112.2S55S55-E62 PolarHBondContact OG-O 3.06Å; S55-E62 VanDerWaalsContact OG-O 3.06Å
63Q67.5Low71.9Confident87 Ų8780.5 Ų80.541%0.40744%0.437SS..  trans-65.4130.3157.8-59.3177.7-9.300108.2P52 A53P52-Q63 HydrophobicContact CB-CB 3.83Å; A53-Q63 WeakPolarHBondContact O-CA 3.33Å
64T83.6Confident72.8Confident41 Ų4179.5 Ų79.525%0.25243%0.426SS..BIsolated β-bridgetrans-144.7151.8-176.9-167.80000111.4A53 Q69A53-T64 PolarHBondContact O-N 3.42Å; T64-Q69 HydrophobicContact CG2-CG 3.39Å; T64-Q69 PolarHBondContact O-NE2 3.39Å
65H91.5Very high74.2Confident12 Ų1280.8 Ų80.86%0.05641%0.414CS..  trans-63.7142-177.7-65.8-83.9000111.2Q8 D12 V48 V50 V67 L68 Q69 L101Q8-H65 PolarHBondContact NE2-NE2 2.91Å; D12-H65 IonicContact OD1-CE1 3.86Å; D12-H65 IonicContact OD1-NE2 3.86Å; D12-H65 PolarHBondContact OD1-NE2 2.87Å; D12-H65 IonicContact OD2-CD2 2.89Å; D12-H65 IonicContact OD2-CE1 3.64Å; D12-H65 IonicContact OD2-NE2 3.71Å; D12-H65 PolarHBondContact OD2-NE2 3.43Å; V48-H65 WeakPolarHBondContact CG1-ND1 3.42Å; V50-H65 PolarHBondContact O-CE1 3.42Å; H65-V67 HydrophobicContact CB-CG1 4.21Å; H65-V67 PolarHBondContact O-N 2.99Å; H65-V67 VanDerWaalsContact O-N 3.13Å; H65-L68 HydrophobicContact CB-CG 4.42Å; H65-L68 WeakPolarHBondContact O-CA 3.45Å; H65-L68 WeakPolarHBondContact O-CB 3.49Å; H65-L68 PolarHBondContact O-N 3.43Å; H65-Q69 PolarHBondContact O-N 2.71Å; H65-L101 HydrophobicContact CB-CD2 4.02Å
66E92.4Very high75.8Confident101 Ų10184.9 Ų84.947%0.47243%0.432SS..Hα-helixtrans-54.9-36-177.3-69.4-175.7-173.300113.2L68 Q69 A70 Q91E66-L68 PolarHBondContact O-N 3.11Å; E66-Q69 PolarHBondContact O-N 3.5Å; E66-A70 WeakPolarHBondContact O-CB 3.37Å; E66-A70 PolarHBondContact O-N 3.27Å; E66-Q91 HydrophobicContact CB-CG 4.24Å; E66-Q91 PolarHBondContact OE2-NE2 2.83Å
67V94.3Very high76.8Confident2 Ų281.9 Ų81.91%0.01242%0.42CS..Hα-helixtrans-59.9-35174.671.80000112.7H65 L71 F88 Q91 L101 A102H65-V67 HydrophobicContact CB-CG1 4.21Å; H65-V67 PolarHBondContact O-N 2.99Å; H65-V67 VanDerWaalsContact O-N 3.13Å; V67-L71 WeakPolarHBondContact O-CB 3.39Å; V67-L71 PolarHBondContact O-N 2.92Å; V67-L71 VanDerWaalsContact O-N 3.13Å; V67-F88 HydrophobicContact CG2-CD2 4.27Å; V67-F88 HydrophobicContact CG2-CE2 4Å; V67-Q91 HydrophobicContact CB-CB 3.8Å; V67-Q91 HydrophobicContact CB-CG 4.41Å; V67-Q91 HydrophobicContact CG2-CB 3.86Å; V67-L101 HydrophobicContact CG1-CD2 4.14Å; V67-A102 HydrophobicContact CG2-CB 3.84Å
68L94.5Very high77.9Confident20 Ų2080.5 Ų80.511%0.10541%0.413CS..Hα-helixtrans-79.6-35.3177.1-60.1-174.6000111.3H65 E66 A70 L71 E72 L101 K105H65-L68 HydrophobicContact CB-CG 4.42Å; H65-L68 WeakPolarHBondContact O-CA 3.45Å; H65-L68 WeakPolarHBondContact O-CB 3.49Å; H65-L68 PolarHBondContact O-N 3.43Å; E66-L68 PolarHBondContact O-N 3.11Å; L68-A70 VanDerWaalsContact C-N 3.35Å; L68-L71 PolarHBondContact O-N 2.96Å; L68-E72 WeakPolarHBondContact O-CG 3.3Å; L68-E72 PolarHBondContact O-N 3.31Å; L68-L101 HydrophobicContact CD1-CD1 4.33Å; L68-L101 HydrophobicContact CD1-CD2 4.14Å; L68-L101 HydrophobicContact CD1-CG 4.2Å; L68-L101 HydrophobicContact CD2-CG 4.18Å; L68-L101 HydrophobicContact CG-CD2 4.25Å; L68-L101 HydrophobicContact CG-CG 4.3Å; L68-K105 HydrophobicContact CD1-CG 4.13Å; L68-K105 HydrophobicContact CD2-CB 3.76Å; L68-K105 HydrophobicContact CD2-CG 3.63Å
69Q92.5Very high79Confident57 Ų5781.2 Ų81.227%0.26642%0.417SS..Hα-helixtrans-60.6-44.8172.3-59.1-177.41000111.4T64 H65 E66 L71 E72 S73T64-Q69 HydrophobicContact CG2-CG 3.39Å; T64-Q69 PolarHBondContact O-NE2 3.39Å; H65-Q69 PolarHBondContact O-N 2.71Å; E66-Q69 PolarHBondContact O-N 3.5Å; Q69-L71 VanDerWaalsContact C-N 3.34Å; Q69-E72 PolarHBondContact O-N 2.98Å; Q69-S73 WeakPolarHBondContact O-CB 3.35Å; Q69-S73 PolarHBondContact O-N 3.49Å; Q69-S73 PolarHBondContact O-OG 3.43Å
70A93.3Very high80.6Confident6 Ų678.1 Ų78.15%0.0540%0.402CS..Hα-helixtrans-63.9-39.9175.800000111.5E66 L68 S73 L74 C87 F88E66-A70 WeakPolarHBondContact O-CB 3.37Å; E66-A70 PolarHBondContact O-N 3.27Å; L68-A70 VanDerWaalsContact C-N 3.35Å; A70-S73 PolarHBondContact O-N 2.81Å; A70-L74 WeakPolarHBondContact O-CG 3.44Å; A70-L74 PolarHBondContact O-N 3.41Å; A70-L74 VanDerWaalsContact O-N 3.11Å; A70-C87 HydrophobicContact CB-CB 4.47Å; A70-F88 HydrophobicContact CB-CB 3.95Å; A70-F88 HydrophobicContact CB-CD2 4.39Å
71L95.1Very high82.4Confident1 Ų169.9 Ų69.91%0.00537%0.369CS..Hα-helixtrans-64.9-43.9176.3-179.660.7000112.7V67 L68 Q69 S73 L74 R75 F88 K105 A107 V110V67-L71 WeakPolarHBondContact O-CB 3.39Å; V67-L71 PolarHBondContact O-N 2.92Å; V67-L71 VanDerWaalsContact O-N 3.13Å; L68-L71 PolarHBondContact O-N 2.96Å; Q69-L71 VanDerWaalsContact C-N 3.34Å; L71-S73 VanDerWaalsContact C-N 3.35Å; L71-L74 WeakPolarHBondContact O-CB 3.49Å; L71-L74 PolarHBondContact O-N 3.14Å; L71-R75 WeakPolarHBondContact O-CG 3.29Å; L71-R75 PolarHBondContact O-N 3.41Å; L71-R75 VanDerWaalsContact O-N 3.09Å; L71-F88 HydrophobicContact CB-CD2 4.23Å; L71-F88 HydrophobicContact CB-CE2 4.17Å; L71-F88 HydrophobicContact CD1-CE2 4.33Å; L71-K105 HydrophobicContact CD2-CB 4.31Å; L71-A107 HydrophobicContact CD1-CB 3.98Å; L71-A107 HydrophobicContact CD2-CB 3.98Å; L71-V110 HydrophobicContact CD1-CB 3.91Å; L71-V110 HydrophobicContact CD1-CG1 3.95Å; L71-V110 HydrophobicContact CD1-CG2 4.09Å
72E93.2Very high84.3Confident87 Ų8764 Ų6441%0.40735%0.345SS..Hα-helixtrans-64.6-39.5175.9-72.6-53.9141.800111.8L68 Q69 L74 R75 L76L68-E72 WeakPolarHBondContact O-CG 3.3Å; L68-E72 PolarHBondContact O-N 3.31Å; Q69-E72 PolarHBondContact O-N 2.98Å; E72-L74 VanDerWaalsContact C-N 3.27Å; E72-L74 PolarHBondContact O-N 3.33Å; E72-R75 WeakPolarHBondContact O-CB 3.4Å; E72-R75 PolarHBondContact O-N 3.19Å; E72-R75 IonicContact OE1-CZ 2.8Å; E72-R75 IonicContact OE1-NE 3.05Å; E72-R75 IonicContact OE1-NH1 3.89Å; E72-R75 PolarHBondContact OE1-NH1 3.32Å; E72-R75 WeakPolarHBondContact OE2-CD 3.45Å; E72-L76 WeakPolarHBondContact O-CG 3.47Å; E72-L76 PolarHBondContact O-N 3.48Å
73S91.7Very high86Confident41 Ų4159.3 Ų59.329%0.28733%0.333SS..Hα-helixtrans-58.6-40.6174.7-58.80000111.8Q69 A70 L71 R75 L76 G77Q69-S73 WeakPolarHBondContact O-CB 3.35Å; Q69-S73 PolarHBondContact O-N 3.49Å; Q69-S73 PolarHBondContact O-OG 3.43Å; A70-S73 PolarHBondContact O-N 2.81Å; L71-S73 VanDerWaalsContact C-N 3.35Å; S73-R75 PolarHBondContact O-N 3.29Å; S73-L76 PolarHBondContact O-N 3.43Å; S73-G77 PolarHBondContact O-N 2.93Å
74L92.4Very high87.2Confident20 Ų2056.4 Ų56.411%0.10532%0.32CS..Hα-helixtrans-66.4-32.3173.8-72.8168.6000113.7A70 L71 E72 D84 I85 F88 V110 I111 Y114A70-L74 WeakPolarHBondContact O-CG 3.44Å; A70-L74 PolarHBondContact O-N 3.41Å; A70-L74 VanDerWaalsContact O-N 3.11Å; L71-L74 WeakPolarHBondContact O-CB 3.49Å; L71-L74 PolarHBondContact O-N 3.14Å; E72-L74 VanDerWaalsContact C-N 3.27Å; E72-L74 PolarHBondContact O-N 3.33Å; L74-D84 HydrophobicContact CD2-CB 3.83Å; L74-D84 HydrophobicContact CG-CB 4.01Å; L74-I85 HydrophobicContact CD1-CD1 3.67Å; L74-I85 HydrophobicContact CD2-CB 3.94Å; L74-I85 HydrophobicContact CD2-CD1 4.06Å; L74-F88 HydrophobicContact CD1-CB 3.94Å; L74-F88 HydrophobicContact CD1-CG 4.15Å; L74-V110 HydrophobicContact CB-CG1 4.03Å; L74-I111 HydrophobicContact CD1-CD1 3.78Å; L74-Y114 HydrophobicContact CD2-CD2 4.28Å
75R92.6Very high87.8Confident106 Ų10654.5 Ų54.540%0.431%0.308SS..Hα-helixtrans-69.2-40.9176.9-75173.2170.5169.60.8112.3L71 E72 S73 G77 K105 V110L71-R75 WeakPolarHBondContact O-CG 3.29Å; L71-R75 PolarHBondContact O-N 3.41Å; L71-R75 VanDerWaalsContact O-N 3.09Å; E72-R75 WeakPolarHBondContact O-CB 3.4Å; E72-R75 PolarHBondContact O-N 3.19Å; E72-R75 IonicContact OE1-CZ 2.8Å; E72-R75 IonicContact OE1-NE 3.05Å; E72-R75 IonicContact OE1-NH1 3.89Å; E72-R75 PolarHBondContact OE1-NH1 3.32Å; E72-R75 WeakPolarHBondContact OE2-CD 3.45Å; S73-R75 PolarHBondContact O-N 3.29Å; R75-G77 PolarHBondContact O-N 2.88Å; R75-K105 PolarHBondContact NH2-O 3.41Å; R75-V110 HydrophobicContact CG-CG1 4.23Å; R75-V110 HydrophobicContact CG-CG2 3.93Å
76L88.1Confident88.1Confident126 Ų12659.3 Ų59.366%0.6633%0.329SS*.Hα-helixtrans-69.2-24.4-178.3-66.5171.7000112.4E72 S73E72-L76 WeakPolarHBondContact O-CG 3.47Å; E72-L76 PolarHBondContact O-N 3.48Å; S73-L76 PolarHBondContact O-N 3.43Å
77G71.4Confident88.2Confident57 Ų5756.8 Ų56.859%0.58832%0.322SS*.THydrogen-bonded Turntrans71.151.9168.700000113.7S73 R75S73-G77 PolarHBondContact O-N 2.93Å; R75-G77 PolarHBondContact O-N 2.88Å
78N70.4Confident88.4Confident92 Ų9256.7 Ų56.749%0.49232%0.322SS..  trans-83169.9-179.7-67.5-16.9000113T80 A81N78-T80 PolarHBondContact O-N 3.04Å; N78-A81 PolarHBondContact O-N 3.49Å
79N64.6Low88.6Confident182 Ų18256.5 Ų56.597%0.97332%0.322SS*.THydrogen-bonded Turntrans-59.4-8.4175.5-69.8-18.7000114.2
80T76.6Confident88.9Confident72 Ų7259.6 Ų59.644%0.44234%0.336SS..THydrogen-bonded Turntrans-100.112.2-178.251.10000113.9N78 T82 A83 D84N78-T80 PolarHBondContact O-N 3.04Å; T80-T82 PolarHBondContact O-N 2.64Å; T80-A83 WeakPolarHBondContact O-CA 3.24Å; T80-A83 WeakPolarHBondContact O-CB 3.46Å; T80-A83 PolarHBondContact O-N 3.28Å; T80-D84 VanDerWaalsContact C-OD2 3.24Å; T80-D84 PolarHBondContact O-N 2.88Å; T80-D84 VanDerWaalsContact O-OD2 3.14Å; T80-D84 PolarHBondContact OG1-OD2 3.33Å
81A81.7Confident89Confident28 Ų2860.5 Ų60.523%0.23134%0.339CS..Hα-helixtrans-51.6-31.9-170.100000114.7N78 I85 Y114N78-A81 PolarHBondContact O-N 3.49Å; A81-I85 WeakPolarHBondContact O-CB 3.32Å; A81-I85 PolarHBondContact O-N 2.89Å; A81-Y114 HydrophobicContact CB-CE2 3.87Å
82T87.1Confident89.2Confident49 Ų4960.4 Ų60.430%0.30134%0.339SS..Hα-helixtrans-74.5-29.6175.7-51.30000114.2T80 I85 K86 Y114 A127T80-T82 PolarHBondContact O-N 2.64Å; T82-I85 VanDerWaalsContact O-CG2 3.31Å; T82-I85 WeakPolarHBondContact O-CG2 3.32Å; T82-K86 WeakPolarHBondContact O-CD 3.49Å; T82-K86 VanDerWaalsContact O-CG 3.29Å; T82-K86 WeakPolarHBondContact O-CG 3.35Å; T82-Y114 PolarHBondContact OG1-OH 3.4Å; T82-A127 HydrophobicContact CG2-CB 4.45Å
83A91.4Very high89.4Confident59 Ų5962.3 Ų62.349%0.48835%0.351SS..Hα-helixtrans-73.7-42.2170.700000110T80 I85 K86 C87T80-A83 WeakPolarHBondContact O-CA 3.24Å; T80-A83 WeakPolarHBondContact O-CB 3.46Å; T80-A83 PolarHBondContact O-N 3.28Å; A83-I85 PolarHBondContact O-N 3.09Å; A83-K86 PolarHBondContact O-N 2.93Å; A83-C87 PolarHBondContact O-N 3.42Å
84D93.4Very high89.6Confident26 Ų2665.6 Ų65.614%0.13937%0.365CS..Hα-helixtrans-63.4-40.7-178.6-56.7-35.3000111.5L74 T80 K86 C87 F88L74-D84 HydrophobicContact CD2-CB 3.83Å; L74-D84 HydrophobicContact CG-CB 4.01Å; T80-D84 VanDerWaalsContact C-OD2 3.24Å; T80-D84 PolarHBondContact O-N 2.88Å; T80-D84 VanDerWaalsContact O-OD2 3.14Å; T80-D84 PolarHBondContact OG1-OD2 3.33Å; D84-K86 VanDerWaalsContact C-N 3.33Å; D84-K86 PolarHBondContact O-N 3.49Å; D84-C87 PolarHBondContact O-N 3.25Å; D84-F88 WeakPolarHBondContact O-CB 3.4Å; D84-F88 PolarHBondContact O-N 2.96Å
85I96.1Very high89.8Confident0 Ų065.5 Ų65.50%037%0.369CS..Hα-helixtrans-67.9-32.6177.5-162.666000112.2L74 A81 T82 A83 T89 I111 Y114 A127 A131L74-I85 HydrophobicContact CD1-CD1 3.67Å; L74-I85 HydrophobicContact CD2-CB 3.94Å; L74-I85 HydrophobicContact CD2-CD1 4.06Å; A81-I85 WeakPolarHBondContact O-CB 3.32Å; A81-I85 PolarHBondContact O-N 2.89Å; T82-I85 VanDerWaalsContact O-CG2 3.31Å; T82-I85 WeakPolarHBondContact O-CG2 3.32Å; A83-I85 PolarHBondContact O-N 3.09Å; I85-T89 PolarHBondContact O-N 2.95Å; I85-T89 PolarHBondContact O-OG1 3.37Å; I85-I111 HydrophobicContact CD1-CD1 3.46Å; I85-I111 VanDerWaalsContact CD1-CD1 3.46Å; I85-Y114 HydrophobicContact CB-CE1 4.25Å; I85-Y114 HydrophobicContact CB-CE2 4.36Å; I85-Y114 HydrophobicContact CD1-CD1 4.12Å; I85-Y114 HydrophobicContact CD1-CG 4.24Å; I85-Y114 HydrophobicContact CG1-CD1 4Å; I85-Y114 HydrophobicContact CG1-CE1 3.9Å; I85-Y114 HydrophobicContact CG1-CG 4.47Å; I85-Y114 HydrophobicContact CG2-CE1 4.11Å; I85-Y114 HydrophobicContact CG2-CE2 4.49Å; I85-A127 HydrophobicContact CG2-CB 3.67Å; I85-A131 HydrophobicContact CD1-CB 3.53Å; I85-A131 HydrophobicContact CG1-CB 3.67Å
86K96.3Very high89.9Confident113 Ų11364 Ų6449%0.49137%0.365SS..Hα-helixtrans-70.9-45.9176-74175.4-177.6-179.30110.7T82 A83 D84 F88 T89 E90T82-K86 WeakPolarHBondContact O-CD 3.49Å; T82-K86 VanDerWaalsContact O-CG 3.29Å; T82-K86 WeakPolarHBondContact O-CG 3.35Å; A83-K86 PolarHBondContact O-N 2.93Å; D84-K86 VanDerWaalsContact C-N 3.33Å; D84-K86 PolarHBondContact O-N 3.49Å; K86-F88 VanDerWaalsContact C-N 3.32Å; K86-F88 PolarHBondContact O-N 3.37Å; K86-T89 WeakPolarHBondContact O-CA 3.18Å; K86-T89 VanDerWaalsContact O-CB 3.3Å; K86-T89 WeakPolarHBondContact O-CB 3.26Å; K86-T89 PolarHBondContact O-N 2.93Å; K86-E90 WeakPolarHBondContact O-CG 3.46Å; K86-E90 PolarHBondContact O-N 3.45Å
87C96.1Very high90.4Very high48 Ų4858.6 Ų58.632%0.32434%0.338SS..Hα-helixtrans-56.2-47.6172.7-179.80000111A70 A83 D84 T89 E90 Q91A70-C87 HydrophobicContact CB-CB 4.47Å; A83-C87 PolarHBondContact O-N 3.42Å; D84-C87 PolarHBondContact O-N 3.25Å; C87-T89 VanDerWaalsContact C-N 3.27Å; C87-T89 PolarHBondContact O-N 3.31Å; C87-E90 PolarHBondContact O-N 3.06Å; C87-Q91 WeakPolarHBondContact O-CG 3.21Å; C87-Q91 PolarHBondContact O-N 3.13Å
88F97.8Very high91.6Very high0 Ų056.9 Ų56.90%032%0.315CS..Hα-helixtrans-57.4-40.6175.2179.5-91.8000112.7V67 A70 L71 L74 D84 K86 Q91 C92 A102 A107 I111 A131 L135V67-F88 HydrophobicContact CG2-CD2 4.27Å; V67-F88 HydrophobicContact CG2-CE2 4Å; A70-F88 HydrophobicContact CB-CB 3.95Å; A70-F88 HydrophobicContact CB-CD2 4.39Å; L71-F88 HydrophobicContact CB-CD2 4.23Å; L71-F88 HydrophobicContact CB-CE2 4.17Å; L71-F88 HydrophobicContact CD1-CE2 4.33Å; L74-F88 HydrophobicContact CD1-CB 3.94Å; L74-F88 HydrophobicContact CD1-CG 4.15Å; D84-F88 WeakPolarHBondContact O-CB 3.4Å; D84-F88 PolarHBondContact O-N 2.96Å; K86-F88 VanDerWaalsContact C-N 3.32Å; K86-F88 PolarHBondContact O-N 3.37Å; F88-Q91 PolarHBondContact O-N 3Å; F88-C92 WeakPolarHBondContact CE1-SG 3.26Å; F88-C92 VanDerWaalsContact CZ-SG 3.53Å; F88-C92 PolarHBondContact O-N 3.12Å; F88-C92 PolarHBondContact O-SG 3.45Å; F88-C92 VanDerWaalsContact O-SG 3.35Å; F88-A102 HydrophobicContact CE2-CB 3.93Å; F88-A102 HydrophobicContact CZ-CB 3.97Å; F88-A107 HydrophobicContact CE2-CB 4.12Å; F88-A107 HydrophobicContact CZ-CB 3.73Å; F88-I111 HydrophobicContact CD1-CD1 3.57Å; F88-I111 HydrophobicContact CD1-CG1 4.3Å; F88-I111 HydrophobicContact CE1-CD1 3.53Å; F88-I111 HydrophobicContact CE1-CG1 3.75Å; F88-I111 HydrophobicContact CG-CD1 4.14Å; F88-I111 HydrophobicContact CZ-CD1 4.07Å; F88-I111 HydrophobicContact CZ-CG1 4.14Å; F88-A131 HydrophobicContact CD1-CB 4.09Å; F88-L135 HydrophobicContact CE1-CB 4.46Å; F88-L135 HydrophobicContact CZ-CD1 4.36Å
89T98.4Very high92.9Very high17 Ų1754.1 Ų54.110%0.10430%0.298CS..Hα-helixtrans-62-49176.5-55.30000111I85 K86 C87 Q91 C92 L93 A131 A134I85-T89 PolarHBondContact O-N 2.95Å; I85-T89 PolarHBondContact O-OG1 3.37Å; K86-T89 WeakPolarHBondContact O-CA 3.18Å; K86-T89 VanDerWaalsContact O-CB 3.3Å; K86-T89 WeakPolarHBondContact O-CB 3.26Å; K86-T89 PolarHBondContact O-N 2.93Å; C87-T89 VanDerWaalsContact C-N 3.27Å; C87-T89 PolarHBondContact O-N 3.31Å; T89-Q91 VanDerWaalsContact C-N 3.29Å; T89-Q91 PolarHBondContact O-N 3.07Å; T89-C92 WeakPolarHBondContact O-CB 3.49Å; T89-C92 PolarHBondContact O-N 3.01Å; T89-C92 VanDerWaalsContact O-N 3.15Å; T89-L93 HydrophobicContact CG2-CD1 4.17Å; T89-L93 WeakPolarHBondContact O-CG 3.43Å; T89-L93 PolarHBondContact O-N 2.88Å; T89-A131 VanDerWaalsContact OG1-CA 3.24Å; T89-A131 WeakPolarHBondContact OG1-CA 3.3Å; T89-A131 VanDerWaalsContact OG1-CB 3.29Å; T89-A131 WeakPolarHBondContact OG1-CB 3.2Å; T89-A131 PolarHBondContact OG1-N 2.99Å; T89-A134 HydrophobicContact CG2-CB 4.05Å
90E98Very high94.5Very high122 Ų12249.1 Ų49.157%0.5727%0.266SS*.Hα-helixtrans-57.8-43178.6-70.6167.5-176.600111.4K86 C87 C92 L93 L94K86-E90 WeakPolarHBondContact O-CG 3.46Å; K86-E90 PolarHBondContact O-N 3.45Å; C87-E90 PolarHBondContact O-N 3.06Å; E90-C92 PolarHBondContact O-N 3.36Å; E90-L93 PolarHBondContact O-N 3.24Å; E90-L93 VanDerWaalsContact O-N 3.16Å; E90-L94 PolarHBondContact O-N 3.01Å
91Q97.3Very high95.5Very high24 Ų2446 Ų4611%0.11225%0.246CC..Hα-helixtrans-63.7-40.2176.2-67.8-61.6-41.100112.8E66 V67 C87 F88 T89 L93 L94 Q98E66-Q91 HydrophobicContact CB-CG 4.24Å; E66-Q91 PolarHBondContact OE2-NE2 2.83Å; V67-Q91 HydrophobicContact CB-CB 3.8Å; V67-Q91 HydrophobicContact CB-CG 4.41Å; V67-Q91 HydrophobicContact CG2-CB 3.86Å; C87-Q91 WeakPolarHBondContact O-CG 3.21Å; C87-Q91 PolarHBondContact O-N 3.13Å; F88-Q91 PolarHBondContact O-N 3Å; T89-Q91 VanDerWaalsContact C-N 3.29Å; T89-Q91 PolarHBondContact O-N 3.07Å; Q91-L93 VanDerWaalsContact C-N 3.28Å; Q91-L93 PolarHBondContact O-N 3.31Å; Q91-L94 WeakPolarHBondContact O-CB 3.45Å; Q91-L94 PolarHBondContact O-N 3.37Å; Q91-Q98 VanDerWaalsContact O-CB 3.26Å; Q91-Q98 WeakPolarHBondContact O-CB 3.34Å; Q91-Q98 WeakPolarHBondContact O-CG 3.47Å
92C97.9Very high96.2Very high0 Ų044.6 Ų44.60%024%0.235CC..Hα-helixtrans-65-32.3174.6-73.10000112.7F88 T89 E90 L94 R99 A134F88-C92 WeakPolarHBondContact CE1-SG 3.26Å; F88-C92 VanDerWaalsContact CZ-SG 3.53Å; F88-C92 PolarHBondContact O-N 3.12Å; F88-C92 PolarHBondContact O-SG 3.45Å; F88-C92 VanDerWaalsContact O-SG 3.35Å; T89-C92 WeakPolarHBondContact O-CB 3.49Å; T89-C92 PolarHBondContact O-N 3.01Å; T89-C92 VanDerWaalsContact O-N 3.15Å; E90-C92 PolarHBondContact O-N 3.36Å; C92-L94 PolarHBondContact O-N 2.92Å; C92-R99 HydrophobicContact CB-CG 3.78Å; C92-R99 WeakPolarHBondContact O-CD 3.42Å; C92-R99 VanDerWaalsContact O-CG 3.28Å; C92-R99 WeakPolarHBondContact O-CG 3.36Å; C92-A134 HydrophobicContact CB-CB 3.71Å
93L97.4Very high96.7Very high126 Ų12643.1 Ų43.166%0.6623%0.227SC*.Hα-helixtrans-73.4-13.3179.7-68.6173.1000113.4T89 E90 Q91 G95 A134T89-L93 HydrophobicContact CG2-CD1 4.17Å; T89-L93 WeakPolarHBondContact O-CG 3.43Å; T89-L93 PolarHBondContact O-N 2.88Å; E90-L93 PolarHBondContact O-N 3.24Å; E90-L93 VanDerWaalsContact O-N 3.16Å; Q91-L93 VanDerWaalsContact C-N 3.28Å; Q91-L93 PolarHBondContact O-N 3.31Å; L93-G95 VanDerWaalsContact C-N 3.31Å; L93-G95 PolarHBondContact O-N 2.94Å; L93-A134 HydrophobicContact CD2-CB 4.17Å; L93-A134 HydrophobicContact CG-CB 4.35Å
94L96.4Very high97Very high111 Ų11146.1 Ų46.158%0.58123%0.232SC*.THydrogen-bonded Turntrans-65.9-30.5175.9-65.2178.4000113.1E90 Q91 C92 Q98E90-L94 PolarHBondContact O-N 3.01Å; Q91-L94 WeakPolarHBondContact O-CB 3.45Å; Q91-L94 PolarHBondContact O-N 3.37Å; C92-L94 PolarHBondContact O-N 2.92Å; L94-Q98 HydrophobicContact CB-CG 4.19Å
95G95.8Very high97.1Very high18 Ų1848.9 Ų48.919%0.18624%0.242CC..  trans171171.8-176.600000115.6L93 A97 Q98 R99L93-G95 VanDerWaalsContact C-N 3.31Å; L93-G95 PolarHBondContact O-N 2.94Å; G95-A97 VanDerWaalsContact C-N 3.32Å; G95-Q98 VanDerWaalsContact CA-OE1 3.32Å; G95-R99 PolarHBondContact O-NE 2.96Å
96F96.6Very high97.2Very high75 Ų7550 Ų5033%0.32925%0.253SS..Hα-helixtrans-65.4-36.1175.7-178.5-101000112.3Q98 R99 Y100 Q139F96-Q98 PolarHBondContact O-N 3.3Å; F96-R99 PolarHBondContact O-N 3.01Å; F96-Y100 HydrophobicContact CE1-CD2 4.24Å; F96-Y100 HydrophobicContact CE1-CG 4.42Å; F96-Y100 HydrophobicContact CZ-CD2 4.22Å; F96-Y100 WeakPolarHBondContact O-CB 3.29Å; F96-Y100 PolarHBondContact O-N 3.43Å; F96-Q139 HydrophobicContact CE2-CG 3.78Å; F96-Q139 HydrophobicContact CZ-CG 4.39Å
97A96.9Very high97.3Very high11 Ų1144.6 Ų44.69%0.09123%0.23CC..Hα-helixtrans-60.2-43.3-179.600000113.1I47 V48 G95 Y100 L101I47-A97 VanDerWaalsContact C-CB 3.41Å; I47-A97 VanDerWaalsContact O-CB 3.27Å; I47-A97 WeakPolarHBondContact O-CB 3.24Å; V48-A97 HydrophobicContact CG2-CB 3.94Å; G95-A97 VanDerWaalsContact C-N 3.32Å; A97-Y100 PolarHBondContact O-N 2.64Å; A97-L101 WeakPolarHBondContact O-CB 3.3Å; A97-L101 PolarHBondContact O-N 3.18Å
98Q97.3Very high97.4Very high22 Ų2243.1 Ų43.110%0.10322%0.218CC..Hα-helixtrans-63.4-45.4177.9-69.880.4-7.100111.1V48 Q91 L94 G95 F96 Y100 L101 A102V48-Q98 HydrophobicContact CG2-CG 4.13Å; Q91-Q98 VanDerWaalsContact O-CB 3.26Å; Q91-Q98 WeakPolarHBondContact O-CB 3.34Å; Q91-Q98 WeakPolarHBondContact O-CG 3.47Å; L94-Q98 HydrophobicContact CB-CG 4.19Å; G95-Q98 VanDerWaalsContact CA-OE1 3.32Å; F96-Q98 PolarHBondContact O-N 3.3Å; Q98-Y100 VanDerWaalsContact C-N 3.33Å; Q98-Y100 PolarHBondContact O-N 3.38Å; Q98-L101 PolarHBondContact O-N 3.03Å; Q98-A102 VanDerWaalsContact O-CB 3.31Å; Q98-A102 WeakPolarHBondContact O-CB 3.46Å; Q98-A102 PolarHBondContact O-N 3.15Å
99R98Very high97.4Very high34 Ų3446.9 Ų46.913%0.12824%0.243CC..Hα-helixtrans-61.5-42.3176.3-67.2176.5-77.5179.4-14.1111.7C92 G95 F96 A103 A134 D137 Q139C92-R99 HydrophobicContact CB-CG 3.78Å; C92-R99 WeakPolarHBondContact O-CD 3.42Å; C92-R99 VanDerWaalsContact O-CG 3.28Å; C92-R99 WeakPolarHBondContact O-CG 3.36Å; G95-R99 PolarHBondContact O-NE 2.96Å; F96-R99 PolarHBondContact O-N 3.01Å; R99-A103 VanDerWaalsContact O-CB 3.29Å; R99-A103 WeakPolarHBondContact O-CB 3.41Å; R99-A103 PolarHBondContact O-N 3.04Å; R99-A134 WeakPolarHBondContact CD-O 3.18Å; R99-D137 IonicContact CZ-OD2 2.89Å; R99-D137 VanDerWaalsContact NH1-C 3.3Å; R99-D137 PolarHBondContact NH1-O 3.38Å; R99-D137 IonicContact NH1-OD1 2.74Å; R99-D137 IonicContact NH1-OD2 3.95Å; R99-D137 PolarHBondContact NH1-OD2 3.33Å; R99-D137 IonicContact NH2-OD2 3.22Å; R99-Q139 VanDerWaalsContact C-NE2 3.3Å; R99-Q139 PolarHBondContact O-NE2 3.34Å
100Y97.5Very high97.4Very high76 Ų7647.5 Ų47.530%0.29825%0.246SC..Hα-helixtrans-65.7-47.2177.9-174.9-96.6000111.6C46 F96 A97 Q98 A102 A103 Q104C46-Y100 HydrophobicContact CB-CD1 3.69Å; C46-Y100 HydrophobicContact CB-CE1 3.92Å; C46-Y100 HydrophobicContact CB-CG 4.11Å; F96-Y100 HydrophobicContact CE1-CD2 4.24Å; F96-Y100 HydrophobicContact CE1-CG 4.42Å; F96-Y100 HydrophobicContact CZ-CD2 4.22Å; F96-Y100 WeakPolarHBondContact O-CB 3.29Å; F96-Y100 PolarHBondContact O-N 3.43Å; A97-Y100 PolarHBondContact O-N 2.64Å; Q98-Y100 VanDerWaalsContact C-N 3.33Å; Q98-Y100 PolarHBondContact O-N 3.38Å; Y100-A102 PolarHBondContact O-N 3.45Å; Y100-A103 WeakPolarHBondContact O-CB 3.42Å; Y100-A103 PolarHBondContact O-N 2.87Å; Y100-Q104 HydrophobicContact CD1-CG 4.09Å; Y100-Q104 HydrophobicContact CE1-CG 3.74Å; Y100-Q104 WeakPolarHBondContact O-CG 3.43Å; Y100-Q104 PolarHBondContact O-N 2.99Å; Y100-Q104 PolarHBondContact OH-NE2 2.9Å
101L97.3Very high97.4Very high6 Ų641.7 Ų41.73%0.03122%0.219CC..Hα-helixtrans-59.4-47.4176.1179.258.8000111.6Q8 V48 H65 V67 L68 A97 Q98 A103 Q104 K105Q8-L101 HydrophobicContact CB-CD1 3.76Å; Q8-L101 HydrophobicContact CG-CD1 3.83Å; Q8-L101 HydrophobicContact CG-CD2 4.03Å; V48-L101 HydrophobicContact CB-CD2 4.49Å; V48-L101 HydrophobicContact CG2-CB 4.23Å; V48-L101 HydrophobicContact CG2-CD2 3.81Å; H65-L101 HydrophobicContact CB-CD2 4.02Å; V67-L101 HydrophobicContact CG1-CD2 4.14Å; L68-L101 HydrophobicContact CD1-CD1 4.33Å; L68-L101 HydrophobicContact CD1-CD2 4.14Å; L68-L101 HydrophobicContact CD1-CG 4.2Å; L68-L101 HydrophobicContact CD2-CG 4.18Å; L68-L101 HydrophobicContact CG-CD2 4.25Å; L68-L101 HydrophobicContact CG-CG 4.3Å; A97-L101 WeakPolarHBondContact O-CB 3.3Å; A97-L101 PolarHBondContact O-N 3.18Å; Q98-L101 PolarHBondContact O-N 3.03Å; L101-A103 VanDerWaalsContact C-N 3.33Å; L101-A103 PolarHBondContact O-N 3.25Å; L101-Q104 PolarHBondContact O-N 3.13Å; L101-K105 HydrophobicContact CD1-CG 4.45Å; L101-K105 WeakPolarHBondContact O-CG 3.46Å; L101-K105 PolarHBondContact O-N 3.2Å
102A97.8Very high97.4Very high0 Ų040.7 Ų40.70%021%0.214CC..Hα-helixtrans-59.2-44.2176.500000111.9V67 F88 Q98 Y100 K105 G106 A107 L135V67-A102 HydrophobicContact CG2-CB 3.84Å; F88-A102 HydrophobicContact CE2-CB 3.93Å; F88-A102 HydrophobicContact CZ-CB 3.97Å; Q98-A102 VanDerWaalsContact O-CB 3.31Å; Q98-A102 WeakPolarHBondContact O-CB 3.46Å; Q98-A102 PolarHBondContact O-N 3.15Å; Y100-A102 PolarHBondContact O-N 3.45Å; A102-K105 CarbonylContact O-C 3.48Å; A102-K105 PolarHBondContact O-N 3.29Å; A102-G106 PolarHBondContact O-N 3.35Å; A102-A107 HydrophobicContact CB-CB 3.86Å; A102-A107 WeakPolarHBondContact O-CB 3.48Å; A102-A107 PolarHBondContact O-N 3.43Å; A102-L135 HydrophobicContact CB-CD1 4.24Å
103A97.8Very high97.4Very high17 Ų1743 Ų4314%0.1423%0.23CC..Hα-helixtrans-60.7-46.8176.300000112.4R99 Y100 L101 K105 G106 L135 L142R99-A103 VanDerWaalsContact O-CB 3.29Å; R99-A103 WeakPolarHBondContact O-CB 3.41Å; R99-A103 PolarHBondContact O-N 3.04Å; Y100-A103 WeakPolarHBondContact O-CB 3.42Å; Y100-A103 PolarHBondContact O-N 2.87Å; L101-A103 VanDerWaalsContact C-N 3.33Å; L101-A103 PolarHBondContact O-N 3.25Å; A103-K105 PolarHBondContact O-N 3.04Å; A103-G106 PolarHBondContact O-N 3.13Å; A103-L135 HydrophobicContact CB-CD1 4.45Å; A103-L142 HydrophobicContact CB-CD1 4.07Å; A103-L142 HydrophobicContact CB-CD2 3.94Å
104Q96.8Very high97.4Very high123 Ų12338.2 Ų38.258%0.57520%0.204SC*.Hα-helixtrans-59.5-32.4176.4-70.2-60.2-4100112.3Y100 L101 G106Y100-Q104 HydrophobicContact CD1-CG 4.09Å; Y100-Q104 HydrophobicContact CE1-CG 3.74Å; Y100-Q104 WeakPolarHBondContact O-CG 3.43Å; Y100-Q104 PolarHBondContact O-N 2.99Å; Y100-Q104 PolarHBondContact OH-NE2 2.9Å; L101-Q104 PolarHBondContact O-N 3.13Å; Q104-G106 VanDerWaalsContact C-N 3.29Å; Q104-G106 PolarHBondContact O-N 2.88Å
105K96.4Very high97.4Very high83 Ų8333 Ų3336%0.36118%0.177SC..THydrogen-bonded Turntrans-8813.3175.6-61-61.7-179.4-179.70113.6E9 L68 L71 R75 L101 A102 A103E9-K105 WeakPolarHBondContact OE1-CE 3.33Å; E9-K105 IonicContact OE1-NZ 3.62Å; E9-K105 PolarHBondContact OE1-NZ 2.71Å; L68-K105 HydrophobicContact CD1-CG 4.13Å; L68-K105 HydrophobicContact CD2-CB 3.76Å; L68-K105 HydrophobicContact CD2-CG 3.63Å; L71-K105 HydrophobicContact CD2-CB 4.31Å; R75-K105 PolarHBondContact NH2-O 3.41Å; L101-K105 HydrophobicContact CD1-CG 4.45Å; L101-K105 WeakPolarHBondContact O-CG 3.46Å; L101-K105 PolarHBondContact O-N 3.2Å; A102-K105 CarbonylContact O-C 3.48Å; A102-K105 PolarHBondContact O-N 3.29Å; A103-K105 PolarHBondContact O-N 3.04Å
106G97.3Very high97.4Very high23 Ų2335 Ų3524%0.23718%0.181CC..THydrogen-bonded Turntrans78.935172.200000114.3A102 A103 Q104 P109A102-G106 PolarHBondContact O-N 3.35Å; A103-G106 PolarHBondContact O-N 3.13Å; Q104-G106 VanDerWaalsContact C-N 3.29Å; Q104-G106 PolarHBondContact O-N 2.88Å; G106-P109 WeakPolarHBondContact O-CD 3.27Å; G106-P109 WeakPolarHBondContact O-CG 3.46Å
107A98.2Very high97.3Very high0 Ų039.5 Ų39.50%020%0.2CC..Hα-helixtrans-63.6-43.5176.800000113.4L71 F88 A102 V110 I111 L135L71-A107 HydrophobicContact CD1-CB 3.98Å; L71-A107 HydrophobicContact CD2-CB 3.98Å; F88-A107 HydrophobicContact CE2-CB 4.12Å; F88-A107 HydrophobicContact CZ-CB 3.73Å; A102-A107 HydrophobicContact CB-CB 3.86Å; A102-A107 WeakPolarHBondContact O-CB 3.48Å; A102-A107 PolarHBondContact O-N 3.43Å; A107-V110 WeakPolarHBondContact O-CB 2.83Å; A107-V110 PolarHBondContact O-N 3.38Å; A107-I111 WeakPolarHBondContact O-CG1 3.4Å; A107-I111 PolarHBondContact O-N 2.82Å; A107-L135 HydrophobicContact CB-CD1 4.16Å; A107-L135 HydrophobicContact CB-CD2 3.86Å
108Y98.6Very high97.1Very high17 Ų1739.9 Ų39.97%0.06720%0.202CC..Hα-helixtrans-49.6-54.1-174.6174.6-99.3000114.6V110 I111 L112 L132 L142 L143 D144 G147Y108-V110 VanDerWaalsContact C-N 3.27Å; Y108-V110 PolarHBondContact O-N 3.27Å; Y108-I111 PolarHBondContact O-N 3.18Å; Y108-L112 HydrophobicContact CE1-CD2 4.02Å; Y108-L112 WeakPolarHBondContact O-CB 3.34Å; Y108-L112 PolarHBondContact O-N 3.46Å; Y108-L132 HydrophobicContact CD2-CD1 4.11Å; Y108-L132 HydrophobicContact CE2-CD1 4.07Å; Y108-L142 WeakPolarHBondContact CD1-O 3.34Å; Y108-L142 HydrophobicContact CD2-CB 3.95Å; Y108-L142 WeakPolarHBondContact CE1-O 3.49Å; Y108-L142 HydrophobicContact CE2-CB 4.49Å; Y108-L142 VanDerWaalsContact CE2-O 3.3Å; Y108-L142 WeakPolarHBondContact CE2-O 3.46Å; Y108-L142 HydrophobicContact CG-CB 4.22Å; Y108-L143 HydrophobicContact CE2-CD1 4.48Å; Y108-D144 HydrophobicContact CE1-CB 4.27Å; Y108-D144 PolarHBondContact OH-N 3.06Å; Y108-D144 VanDerWaalsContact OH-N 3.16Å; Y108-D144 PolarHBondContact OH-OD1 3.44Å; Y108-G147 WeakPolarHBondContact OH-CA 3.48Å
109P98.1Very high96.9Very high80 Ų8040.1 Ų40.152%0.51920%0.204SC..Hα-helixtrans-63.4-31.9179.524.2-34.7000113.2G106 S113G106-P109 WeakPolarHBondContact O-CD 3.27Å; G106-P109 WeakPolarHBondContact O-CG 3.46Å; P109-S113 WeakPolarHBondContact O-CB 3.25Å; P109-S113 PolarHBondContact O-N 2.9Å
110V97.9Very high96.8Very high29 Ų2945.4 Ų45.418%0.17623%0.231CC..Hα-helixtrans-67.5-49.8176.6179.80000110.3L71 L74 R75 A107 Y108 S113 Y114L71-V110 HydrophobicContact CD1-CB 3.91Å; L71-V110 HydrophobicContact CD1-CG1 3.95Å; L71-V110 HydrophobicContact CD1-CG2 4.09Å; L74-V110 HydrophobicContact CB-CG1 4.03Å; R75-V110 HydrophobicContact CG-CG1 4.23Å; R75-V110 HydrophobicContact CG-CG2 3.93Å; A107-V110 WeakPolarHBondContact O-CB 2.83Å; A107-V110 PolarHBondContact O-N 3.38Å; Y108-V110 VanDerWaalsContact C-N 3.27Å; Y108-V110 PolarHBondContact O-N 3.27Å; V110-S113 WeakPolarHBondContact O-CB 3.41Å; V110-S113 PolarHBondContact O-N 3.26Å; V110-Y114 PolarHBondContact O-N 3.4Å
111I98.1Very high96.6Very high0 Ų047.4 Ų47.40%024%0.243CC..Hα-helixtrans-65.2-43.2-179.7-56.6-57.6000110.9L74 I85 F88 A107 Y108 S113 Y114 C115 A131 L132 L135L74-I111 HydrophobicContact CD1-CD1 3.78Å; I85-I111 HydrophobicContact CD1-CD1 3.46Å; I85-I111 VanDerWaalsContact CD1-CD1 3.46Å; F88-I111 HydrophobicContact CD1-CD1 3.57Å; F88-I111 HydrophobicContact CD1-CG1 4.3Å; F88-I111 HydrophobicContact CE1-CD1 3.53Å; F88-I111 HydrophobicContact CE1-CG1 3.75Å; F88-I111 HydrophobicContact CG-CD1 4.14Å; F88-I111 HydrophobicContact CZ-CD1 4.07Å; F88-I111 HydrophobicContact CZ-CG1 4.14Å; A107-I111 WeakPolarHBondContact O-CG1 3.4Å; A107-I111 PolarHBondContact O-N 2.82Å; Y108-I111 PolarHBondContact O-N 3.18Å; I111-S113 VanDerWaalsContact C-N 3.33Å; I111-S113 PolarHBondContact O-N 2.94Å; I111-Y114 WeakPolarHBondContact O-CB 3.49Å; I111-Y114 PolarHBondContact O-N 3.11Å; I111-C115 PolarHBondContact O-N 3.06Å; I111-C115 PolarHBondContact O-SG 3.15Å; I111-A131 HydrophobicContact CD1-CB 4.4Å; I111-A131 HydrophobicContact CG2-CB 3.95Å; I111-L132 HydrophobicContact CG2-CB 4.03Å; I111-L132 HydrophobicContact CG2-CD1 4.32Å; I111-L135 HydrophobicContact CG1-CD2 4.13Å
112L98.2Very high96.5Very high3 Ų351.9 Ų51.92%0.01626%0.259CS..Hα-helixtrans-63.2-40.1176.8-177.663.1000111.8Y108 C115 K116 F150Y108-L112 HydrophobicContact CE1-CD2 4.02Å; Y108-L112 WeakPolarHBondContact O-CB 3.34Å; Y108-L112 PolarHBondContact O-N 3.46Å; L112-C115 PolarHBondContact O-N 3.34Å; L112-K116 HydrophobicContact CG-CD 4.47Å; L112-K116 WeakPolarHBondContact O-CG 3.39Å; L112-K116 PolarHBondContact O-N 2.95Å; L112-F150 HydrophobicContact CD1-CB 4.2Å; L112-F150 HydrophobicContact CD1-CD1 3.74Å; L112-F150 HydrophobicContact CD1-CE1 4.36Å; L112-F150 HydrophobicContact CD1-CG 3.99Å
113S97Very high96.4Very high49 Ų4956.5 Ų56.534%0.34328%0.284SS..Hα-helixtrans-62.2-44174.5-176.30000111.8P109 V110 I111 C115 K116 K117P109-S113 WeakPolarHBondContact O-CB 3.25Å; P109-S113 PolarHBondContact O-N 2.9Å; V110-S113 WeakPolarHBondContact O-CB 3.41Å; V110-S113 PolarHBondContact O-N 3.26Å; I111-S113 VanDerWaalsContact C-N 3.33Å; I111-S113 PolarHBondContact O-N 2.94Å; S113-C115 PolarHBondContact O-N 3.01Å; S113-K116 PolarHBondContact O-N 3.26Å; S113-K117 WeakPolarHBondContact O-CG 3.43Å; S113-K117 PolarHBondContact O-N 3.2Å; S113-K117 VanDerWaalsContact O-N 3.11Å
114Y96.4Very high96.2Very high25 Ų2556.3 Ų56.310%0.09828%0.281CS..Hα-helixtrans-58.3-47.4173.1179.4-83.2000111.5L74 A81 T82 I85 V110 I111 K116 K117 S118L74-Y114 HydrophobicContact CD2-CD2 4.28Å; A81-Y114 HydrophobicContact CB-CE2 3.87Å; T82-Y114 PolarHBondContact OG1-OH 3.4Å; I85-Y114 HydrophobicContact CB-CE1 4.25Å; I85-Y114 HydrophobicContact CB-CE2 4.36Å; I85-Y114 HydrophobicContact CD1-CD1 4.12Å; I85-Y114 HydrophobicContact CD1-CG 4.24Å; I85-Y114 HydrophobicContact CG1-CD1 4Å; I85-Y114 HydrophobicContact CG1-CE1 3.9Å; I85-Y114 HydrophobicContact CG1-CG 4.47Å; I85-Y114 HydrophobicContact CG2-CE1 4.11Å; I85-Y114 HydrophobicContact CG2-CE2 4.49Å; V110-Y114 PolarHBondContact O-N 3.4Å; I111-Y114 WeakPolarHBondContact O-CB 3.49Å; I111-Y114 PolarHBondContact O-N 3.11Å; Y114-K116 VanDerWaalsContact C-N 3.34Å; Y114-K116 PolarHBondContact O-N 3.43Å; Y114-K117 PolarHBondContact O-N 3.29Å; Y114-S118 WeakPolarHBondContact CE1-OG 3.28Å; Y114-S118 VanDerWaalsContact O-CB 3.24Å; Y114-S118 WeakPolarHBondContact O-CB 3.33Å; Y114-S118 PolarHBondContact O-N 3.43Å; Y114-S118 PolarHBondContact O-OG 3.42Å
115C96.9Very high96.2Very high2 Ų250.6 Ų50.61%0.01426%0.255CS..Hα-helixtrans-58.7-44-179.8-67.40000112I111 L112 S113 S118 V119 G128 F150I111-C115 PolarHBondContact O-N 3.06Å; I111-C115 PolarHBondContact O-SG 3.15Å; L112-C115 PolarHBondContact O-N 3.34Å; S113-C115 PolarHBondContact O-N 3.01Å; C115-S118 PolarHBondContact O-N 3.32Å; C115-V119 PolarHBondContact O-N 2.96Å; C115-V119 VanDerWaalsContact O-N 3.14Å; C115-G128 PolarHBondContact SG-O 3.48Å; C115-F150 HydrophobicContact CB-CE1 3.69Å; C115-F150 HydrophobicContact CB-CE2 4.3Å; C115-F150 HydrophobicContact CB-CZ 3.45Å; C115-F150 VanDerWaalsContact CB-CZ 3.45Å
116K96.4Very high96.3Very high61 Ų6148.7 Ų48.727%0.26525%0.249SC..Hα-helixtrans-65.5-42.5178.4-73170.7-175.3154.40112.9L112 S113 Y114 S118 V119 E146 F150L112-K116 HydrophobicContact CG-CD 4.47Å; L112-K116 WeakPolarHBondContact O-CG 3.39Å; L112-K116 PolarHBondContact O-N 2.95Å; S113-K116 PolarHBondContact O-N 3.26Å; Y114-K116 VanDerWaalsContact C-N 3.34Å; Y114-K116 PolarHBondContact O-N 3.43Å; K116-S118 VanDerWaalsContact C-N 3.28Å; K116-S118 PolarHBondContact O-N 3.06Å; K116-V119 VanDerWaalsContact O-CG1 3.31Å; K116-V119 WeakPolarHBondContact O-CG1 3.36Å; K116-E146 WeakPolarHBondContact CE-OE1 3.49Å; K116-E146 VanDerWaalsContact NZ-CG 3.33Å; K116-E146 IonicContact NZ-OE1 3.31Å; K116-E146 PolarHBondContact NZ-OE1 2.94Å; K116-E146 IonicContact NZ-OE2 2.7Å; K116-E146 PolarHBondContact NZ-OE2 2.98Å; K116-F150 HydrophobicContact CG-CD2 3.69Å; K116-F150 HydrophobicContact CG-CE2 3.9Å; K116-F150 HydrophobicContact CG-CG 4.42Å
117K94.8Very high96.3Very high169 Ų16948 Ų4874%0.73524%0.241SC*.Hα-helixtrans-67-32.7177.8-69.3174.7-175.5178.30112.2S113 Y114S113-K117 WeakPolarHBondContact O-CG 3.43Å; S113-K117 PolarHBondContact O-N 3.2Å; S113-K117 VanDerWaalsContact O-N 3.11Å; Y114-K117 PolarHBondContact O-N 3.29Å
118S92.3Very high96.3Very high18 Ų1848 Ų4813%0.12624%0.241CC..THydrogen-bonded Turntrans-91.7-0.2-175-56.40000113.8Y114 C115 K116 E120 E121 A125Y114-S118 WeakPolarHBondContact CE1-OG 3.28Å; Y114-S118 VanDerWaalsContact O-CB 3.24Å; Y114-S118 WeakPolarHBondContact O-CB 3.33Å; Y114-S118 PolarHBondContact O-N 3.43Å; Y114-S118 PolarHBondContact O-OG 3.42Å; C115-S118 PolarHBondContact O-N 3.32Å; K116-S118 VanDerWaalsContact C-N 3.28Å; K116-S118 PolarHBondContact O-N 3.06Å; S118-E120 PolarHBondContact O-N 3.28Å; S118-E120 VanDerWaalsContact O-N 3.08Å; S118-E121 PolarHBondContact O-N 3.41Å; S118-E121 VanDerWaalsContact O-N 3.16Å; S118-A125 PolarHBondContact O-N 3.33Å
119V93.6Very high96.3Very high27 Ų2747.2 Ų47.216%0.16424%0.238CC..THydrogen-bonded Turntrans-67.5-12.3-169.679.60000114.1C115 K116 F150 V154 K157 Y158C115-V119 PolarHBondContact O-N 2.96Å; C115-V119 VanDerWaalsContact O-N 3.14Å; K116-V119 VanDerWaalsContact O-CG1 3.31Å; K116-V119 WeakPolarHBondContact O-CG1 3.36Å; V119-F150 HydrophobicContact CB-CE2 4.5Å; V119-F150 HydrophobicContact CG2-CE2 4.13Å; V119-V154 HydrophobicContact CG2-CG2 3.94Å; V119-K157 HydrophobicContact CG2-CD 4.5Å; V119-K157 PolarHBondContact O-NZ 3.01Å; V119-Y158 HydrophobicContact CG2-CE2 4.17Å; V119-Y158 WeakPolarHBondContact O-CE2 3.34Å; V119-Y158 PolarHBondContact O-OH 2.89Å
120E94.5Very high96.3Very high146 Ų14645.1 Ų45.168%0.68223%0.225SC*.THydrogen-bonded Turntrans-88.1-22.5177.2-62.1-54.5135.900113.2S118 K157S118-E120 PolarHBondContact O-N 3.28Å; S118-E120 VanDerWaalsContact O-N 3.08Å; E120-K157 IonicContact OE1-NZ 2.69Å; E120-K157 PolarHBondContact OE1-NZ 3.29Å; E120-K157 IonicContact OE2-NZ 2.7Å; E120-K157 PolarHBondContact OE2-NZ 3.27Å
121E94.4Very high96.3Very high118 Ų11843.8 Ų43.855%0.55122%0.217SC*.SBendtrans-108.3118.9-178.1-177.7176.5-167.300110.2S118 D123 C124 A125S118-E121 PolarHBondContact O-N 3.41Å; S118-E121 VanDerWaalsContact O-N 3.16Å; E121-D123 PolarHBondContact O-N 2.95Å; E121-C124 HydrophobicContact CB-CB 4.14Å; E121-C124 HydrophobicContact CG-CB 4.26Å; E121-C124 PolarHBondContact O-N 3.3Å; E121-C124 PolarHBondContact OE2-SG 2.92Å; E121-A125 VanDerWaalsContact O-CB 3.31Å; E121-A125 WeakPolarHBondContact O-CB 3.34Å; E121-A125 PolarHBondContact O-N 3.26Å
122R94.9Very high96.3Very high100 Ų10043.8 Ų43.838%0.37722%0.217SC..Hα-helixtrans-50.4-51.9-172-174.4-161.7176.1-84.6-10.5113.5A125 L126 D161 L164R122-A125 PolarHBondContact O-N 3.47Å; R122-L126 WeakPolarHBondContact O-CB 3.37Å; R122-L126 PolarHBondContact O-N 3.41Å; R122-D161 IonicContact CZ-OD2 2.96Å; R122-D161 VanDerWaalsContact CZ-OD2 3.31Å; R122-D161 IonicContact NE-OD2 2.7Å; R122-D161 PolarHBondContact NE-OD2 3.47Å; R122-D161 IonicContact NH2-OD1 3.3Å; R122-D161 PolarHBondContact NH2-OD1 3.16Å; R122-D161 IonicContact NH2-OD2 3.26Å; R122-D161 PolarHBondContact NH2-OD2 2.81Å; R122-L164 HydrophobicContact CG-CD1 3.79Å
123D95.2Very high96.4Very high97 Ų9744 Ų4452%0.51922%0.22SC..Hα-helixtrans-74.1-34.9-172.5-65.9-22000111.9E121 L126 A127E121-D123 PolarHBondContact O-N 2.95Å; D123-L126 PolarHBondContact O-N 2.99Å; D123-A127 WeakPolarHBondContact O-CB 3.37Å; D123-A127 PolarHBondContact O-N 2.78Å
124C94.8Very high96.4Very high12 Ų1242.1 Ų42.18%0.08121%0.206CC..Hα-helixtrans-69.1-40.3173.5-65.80000111.5E121 L126 A127 G128E121-C124 HydrophobicContact CB-CB 4.14Å; E121-C124 HydrophobicContact CG-CB 4.26Å; E121-C124 PolarHBondContact O-N 3.3Å; E121-C124 PolarHBondContact OE2-SG 2.92Å; C124-L126 VanDerWaalsContact C-N 3.32Å; C124-L126 PolarHBondContact O-N 2.96Å; C124-A127 PolarHBondContact O-N 2.97Å; C124-G128 PolarHBondContact O-N 3.13Å
125A96.3Very high96.6Very high4 Ų440.9 Ų40.93%0.03320%0.202CC..Hα-helixtrans-60.1-42.3172.400000111.5S118 E121 R122 G128 L129 Y158 L164S118-A125 PolarHBondContact O-N 3.33Å; E121-A125 VanDerWaalsContact O-CB 3.31Å; E121-A125 WeakPolarHBondContact O-CB 3.34Å; E121-A125 PolarHBondContact O-N 3.26Å; R122-A125 PolarHBondContact O-N 3.47Å; A125-G128 PolarHBondContact O-N 3.34Å; A125-L129 WeakPolarHBondContact O-CB 3.22Å; A125-L129 WeakPolarHBondContact O-CG 3.4Å; A125-L129 PolarHBondContact O-N 3.24Å; A125-Y158 HydrophobicContact CB-CE2 4.45Å; A125-L164 HydrophobicContact CB-CD2 3.91Å
126L97.6Very high96.6Very high42 Ų4240.8 Ų40.822%0.2220%0.201CC..Hα-helixtrans-65.5-43.9178.7-177.163.1000111.4R122 D123 C124 S130 L164 V167R122-L126 WeakPolarHBondContact O-CB 3.37Å; R122-L126 PolarHBondContact O-N 3.41Å; D123-L126 PolarHBondContact O-N 2.99Å; C124-L126 VanDerWaalsContact C-N 3.32Å; C124-L126 PolarHBondContact O-N 2.96Å; L126-S130 VanDerWaalsContact O-CB 3.3Å; L126-S130 WeakPolarHBondContact O-CB 3.27Å; L126-S130 PolarHBondContact O-N 3.33Å; L126-S130 PolarHBondContact O-OG 2.67Å; L126-L164 VanDerWaalsContact CA-CD2 3.49Å; L126-L164 HydrophobicContact CB-CD2 3.77Å; L126-L164 HydrophobicContact CB-CG 4.46Å; L126-L164 HydrophobicContact CD1-CD2 4.11Å; L126-L164 HydrophobicContact CD1-CG 4.46Å; L126-V167 HydrophobicContact CD1-CB 4.42Å; L126-V167 HydrophobicContact CD1-CG2 3.87Å
127A97.6Very high96.7Very high8 Ų840.9 Ų40.97%0.06620%0.204CC..Hα-helixtrans-62.7-44.1176.300000111.7T82 I85 D123 C124 S130 A131T82-A127 HydrophobicContact CG2-CB 4.45Å; I85-A127 HydrophobicContact CG2-CB 3.67Å; D123-A127 WeakPolarHBondContact O-CB 3.37Å; D123-A127 PolarHBondContact O-N 2.78Å; C124-A127 PolarHBondContact O-N 2.97Å; A127-S130 PolarHBondContact O-N 3.34Å; A127-A131 PolarHBondContact O-N 3.36Å; A127-A131 VanDerWaalsContact O-N 3.07Å
128G98.1Very high96.8Very high0 Ų035.1 Ų35.10%019%0.193CC..Hα-helixtrans-62.7-49176.300000113C115 C124 A125 S130 A131 L132C115-G128 PolarHBondContact SG-O 3.48Å; C124-G128 PolarHBondContact O-N 3.13Å; A125-G128 PolarHBondContact O-N 3.34Å; G128-S130 VanDerWaalsContact C-N 3.26Å; G128-S130 PolarHBondContact O-N 3.35Å; G128-A131 WeakPolarHBondContact O-CB 3.25Å; G128-A131 PolarHBondContact O-N 2.82Å; G128-L132 PolarHBondContact O-N 3.44Å
129L98.4Very high97.1Very high2 Ų235 Ų351%0.0119%0.191CC..Hα-helixtrans-64.3-33.1178.7-72.7168.1000112.1A125 L132 A133 F150 L151 V154 L164 V167 A168A125-L129 WeakPolarHBondContact O-CB 3.22Å; A125-L129 WeakPolarHBondContact O-CG 3.4Å; A125-L129 PolarHBondContact O-N 3.24Å; L129-L132 PolarHBondContact O-N 3.48Å; L129-A133 WeakPolarHBondContact O-CB 3.32Å; L129-A133 PolarHBondContact O-N 2.9Å; L129-F150 HydrophobicContact CD2-CE1 3.89Å; L129-F150 HydrophobicContact CD2-CZ 4.41Å; L129-L151 HydrophobicContact CD2-CD2 4.48Å; L129-V154 HydrophobicContact CD1-CG1 3.75Å; L129-V154 HydrophobicContact CD2-CG1 4.32Å; L129-L164 HydrophobicContact CD1-CD2 3.71Å; L129-V167 VanDerWaalsContact C-CG1 3.48Å; L129-V167 HydrophobicContact CB-CB 4.47Å; L129-V167 HydrophobicContact CB-CG1 3.72Å; L129-V167 WeakPolarHBondContact O-CG1 3.46Å; L129-A168 HydrophobicContact CD1-CB 4.36Å
130S98.6Very high97.3Very high36 Ų3634.4 Ų34.425%0.25219%0.187SC..Hα-helixtrans-66.9-42.7175.7-58.60000111.4L126 A127 G128 L132 A133 A134L126-S130 VanDerWaalsContact O-CB 3.3Å; L126-S130 WeakPolarHBondContact O-CB 3.27Å; L126-S130 PolarHBondContact O-N 3.33Å; L126-S130 PolarHBondContact O-OG 2.67Å; A127-S130 PolarHBondContact O-N 3.34Å; G128-S130 VanDerWaalsContact C-N 3.26Å; G128-S130 PolarHBondContact O-N 3.35Å; S130-L132 VanDerWaalsContact C-N 3.34Å; S130-A133 PolarHBondContact O-N 3.48Å; S130-A134 WeakPolarHBondContact O-CB 3.45Å; S130-A134 PolarHBondContact O-N 3.13Å
131A98.7Very high97.4Very high0 Ų032.3 Ų32.30%018%0.18CC..Hα-helixtrans-62-41.8172.300000112.1I85 F88 T89 I111 A127 G128 A134 L135I85-A131 HydrophobicContact CD1-CB 3.53Å; I85-A131 HydrophobicContact CG1-CB 3.67Å; F88-A131 HydrophobicContact CD1-CB 4.09Å; T89-A131 VanDerWaalsContact OG1-CA 3.24Å; T89-A131 WeakPolarHBondContact OG1-CA 3.3Å; T89-A131 VanDerWaalsContact OG1-CB 3.29Å; T89-A131 WeakPolarHBondContact OG1-CB 3.2Å; T89-A131 PolarHBondContact OG1-N 2.99Å; I111-A131 HydrophobicContact CD1-CB 4.4Å; I111-A131 HydrophobicContact CG2-CB 3.95Å; A127-A131 PolarHBondContact O-N 3.36Å; A127-A131 VanDerWaalsContact O-N 3.07Å; G128-A131 WeakPolarHBondContact O-CB 3.25Å; G128-A131 PolarHBondContact O-N 2.82Å; A131-A134 PolarHBondContact O-N 3.08Å; A131-L135 WeakPolarHBondContact O-CB 3.45Å; A131-L135 PolarHBondContact O-N 3.49Å
132L98.6Very high97.6Very high0 Ų028.5 Ų28.50%016%0.164CC..Hα-helixtrans-63.2-45.7176.5-172.660.7000110.9Y108 I111 G128 L129 S130 A134 L135 T136 L151 V171Y108-L132 HydrophobicContact CD2-CD1 4.11Å; Y108-L132 HydrophobicContact CE2-CD1 4.07Å; I111-L132 HydrophobicContact CG2-CB 4.03Å; I111-L132 HydrophobicContact CG2-CD1 4.32Å; G128-L132 PolarHBondContact O-N 3.44Å; L129-L132 PolarHBondContact O-N 3.48Å; S130-L132 VanDerWaalsContact C-N 3.34Å; L132-A134 VanDerWaalsContact C-N 3.35Å; L132-A134 PolarHBondContact O-N 2.86Å; L132-L135 PolarHBondContact O-N 3.23Å; L132-T136 HydrophobicContact CD1-CG2 4.03Å; L132-T136 HydrophobicContact CG-CG2 4.39Å; L132-T136 WeakPolarHBondContact O-CG2 3.44Å; L132-T136 PolarHBondContact O-N 3.28Å; L132-T136 PolarHBondContact O-OG1 2.97Å; L132-L151 HydrophobicContact CD2-CD2 4.4Å; L132-V171 HydrophobicContact CB-CG2 4.35Å; L132-V171 HydrophobicContact CD2-CG1 3.97Å; L132-V171 HydrophobicContact CD2-CG2 4.36Å; L132-V171 HydrophobicContact CG-CG1 3.9Å; L132-V171 HydrophobicContact CG-CG2 4.24Å
133A98.7Very high97.8Very high9 Ų924 Ų247%0.07415%0.147CC..Hα-helixtrans-61-43.1178.700000112.1L129 S130 T136 D137 V167 V171 H174L129-A133 WeakPolarHBondContact O-CB 3.32Å; L129-A133 PolarHBondContact O-N 2.9Å; S130-A133 PolarHBondContact O-N 3.48Å; A133-T136 PolarHBondContact O-OG1 2.79Å; A133-D137 PolarHBondContact O-N 3.45Å; A133-V167 HydrophobicContact CB-CG1 4.18Å; A133-V171 HydrophobicContact CB-CG2 3.7Å; A133-H174 PolarHBondContact O-ND1 3.22Å
134A98.6Very high97.9Very high8 Ų822.5 Ų22.57%0.06614%0.139CC..Hα-helixtrans-63.1-48.3175.800000111.1T89 C92 L93 R99 S130 A131 L132 T136T89-A134 HydrophobicContact CG2-CB 4.05Å; C92-A134 HydrophobicContact CB-CB 3.71Å; L93-A134 HydrophobicContact CD2-CB 4.17Å; L93-A134 HydrophobicContact CG-CB 4.35Å; R99-A134 WeakPolarHBondContact CD-O 3.18Å; S130-A134 WeakPolarHBondContact O-CB 3.45Å; S130-A134 PolarHBondContact O-N 3.13Å; A131-A134 PolarHBondContact O-N 3.08Å; L132-A134 VanDerWaalsContact C-N 3.35Å; L132-A134 PolarHBondContact O-N 2.86Å; A134-T136 PolarHBondContact O-N 3.16Å
135L98.7Very high98.1Very high0 Ų029.9 Ų29.90%017%0.17CC..Hα-helixtrans-62.4-40.9-179.5179.162000112.9F88 A102 A103 A107 I111 A131 L132 Q139 L142F88-L135 HydrophobicContact CE1-CB 4.46Å; F88-L135 HydrophobicContact CZ-CD1 4.36Å; A102-L135 HydrophobicContact CB-CD1 4.24Å; A103-L135 HydrophobicContact CB-CD1 4.45Å; A107-L135 HydrophobicContact CB-CD1 4.16Å; A107-L135 HydrophobicContact CB-CD2 3.86Å; I111-L135 HydrophobicContact CG1-CD2 4.13Å; A131-L135 WeakPolarHBondContact O-CB 3.45Å; A131-L135 PolarHBondContact O-N 3.49Å; L132-L135 PolarHBondContact O-N 3.23Å; L135-Q139 PolarHBondContact O-NE2 2.96Å; L135-L142 HydrophobicContact CD1-CD1 4.2Å; L135-L142 HydrophobicContact CD2-CD1 4.37Å; L135-L142 HydrophobicContact CG-CD1 3.86Å
136T98.4Very high98.1Very high0 Ų035 Ų350%019%0.193CC..Hα-helixtrans-81.5-15.5-174.456.70000114.4L132 A133 A134 G138 Q139 V171 C175L132-T136 HydrophobicContact CD1-CG2 4.03Å; L132-T136 HydrophobicContact CG-CG2 4.39Å; L132-T136 WeakPolarHBondContact O-CG2 3.44Å; L132-T136 PolarHBondContact O-N 3.28Å; L132-T136 PolarHBondContact O-OG1 2.97Å; A133-T136 PolarHBondContact O-OG1 2.79Å; A134-T136 PolarHBondContact O-N 3.16Å; T136-G138 PolarHBondContact O-N 3Å; T136-Q139 CarbonylContact O-C 3.46Å; T136-Q139 PolarHBondContact O-N 3.03Å; T136-V171 HydrophobicContact CG2-CG1 4.38Å; T136-C175 VanDerWaalsContact CB-SG 3.59Å
137D97.9Very high98.2Very high63 Ų6333 Ų3334%0.33718%0.183SC..THydrogen-bonded Turntrans-61.6123.2177.9178.830.6000110.3R99 A133 Q139 H174R99-D137 IonicContact CZ-OD2 2.89Å; R99-D137 VanDerWaalsContact NH1-C 3.3Å; R99-D137 PolarHBondContact NH1-O 3.38Å; R99-D137 IonicContact NH1-OD1 2.74Å; R99-D137 IonicContact NH1-OD2 3.95Å; R99-D137 PolarHBondContact NH1-OD2 3.33Å; R99-D137 IonicContact NH2-OD2 3.22Å; A133-D137 PolarHBondContact O-N 3.45Å; D137-Q139 PolarHBondContact O-N 2.69Å; D137-H174 WeakPolarHBondContact CB-ND1 3.38Å; D137-H174 IonicContact OD1-CD2 2.64Å; D137-H174 IonicContact OD1-NE2 3.99Å
138G97.1Very high98.2Very high48 Ų4834.5 Ų34.550%0.49519%0.187SC..THydrogen-bonded Turntrans73.41-172.300000115.8T136T136-G138 PolarHBondContact O-N 3Å
139Q97.6Very high98.2Very high16 Ų1639.4 Ų39.48%0.07521%0.21CC..  trans-13162.7-176.1-58.4-167.3103.300112.1F96 R99 L135 T136 D137 D141 L142F96-Q139 HydrophobicContact CE2-CG 3.78Å; F96-Q139 HydrophobicContact CZ-CG 4.39Å; R99-Q139 VanDerWaalsContact C-NE2 3.3Å; R99-Q139 PolarHBondContact O-NE2 3.34Å; L135-Q139 PolarHBondContact O-NE2 2.96Å; T136-Q139 CarbonylContact O-C 3.46Å; T136-Q139 PolarHBondContact O-N 3.03Å; D137-Q139 PolarHBondContact O-N 2.69Å; Q139-D141 PolarHBondContact O-N 3.25Å; Q139-L142 HydrophobicContact CB-CD1 3.72Å; Q139-L142 HydrophobicContact CB-CG 4Å; Q139-L142 PolarHBondContact O-N 2.95Å
140P97.8Very high98.2Very high14 Ų1440.1 Ų40.19%0.09121%0.212CC..G310 helixtrans-66.4-24.5-173.529.5-37.5000113.7L142 L143 C175 H179 N182P140-L142 PolarHBondContact O-N 3.35Å; P140-L143 PolarHBondContact O-N 2.96Å; P140-C175 WeakPolarHBondContact CB-O 3.11Å; P140-H179 HydrophobicContact CB-CB 3.7Å; P140-H179 HydrophobicContact CG-CB 4.07Å; P140-N182 PolarHBondContact O-ND2 2.88Å
141D97.9Very high98.2Very high101 Ų10138.4 Ų38.454%0.5420%0.2SC..G310 helixtrans-67.1-14.2179.9-61.9-66.6000113.9Q139 L143 H179 R226Q139-D141 PolarHBondContact O-N 3.25Å; D141-L143 VanDerWaalsContact C-N 3.27Å; D141-L143 PolarHBondContact O-N 3.43Å; D141-H179 IonicContact OD1-CD2 2.79Å; D141-H179 PolarHBondContact OD1-CD2 2.89Å; D141-H179 IonicContact OD1-NE2 3.17Å; D141-H179 PolarHBondContact OD1-NE2 3.4Å; D141-R226 IonicContact OD1-CZ 3.14Å; D141-R226 IonicContact OD1-NH1 3.87Å; D141-R226 PolarHBondContact OD1-NH1 3.39Å; D141-R226 IonicContact OD1-NH2 2.68Å; D141-R226 IonicContact OD2-NH1 2.71Å
142L98.4Very high98.2Very high38 Ų3838.6 Ų38.620%0.19920%0.202CC..G310 helixtrans-68.1-28.1175.9-66.2178.9000112.5A103 Y108 L135 Q139 P140 D144A103-L142 HydrophobicContact CB-CD1 4.07Å; A103-L142 HydrophobicContact CB-CD2 3.94Å; Y108-L142 WeakPolarHBondContact CD1-O 3.34Å; Y108-L142 HydrophobicContact CD2-CB 3.95Å; Y108-L142 WeakPolarHBondContact CE1-O 3.49Å; Y108-L142 HydrophobicContact CE2-CB 4.49Å; Y108-L142 VanDerWaalsContact CE2-O 3.3Å; Y108-L142 WeakPolarHBondContact CE2-O 3.46Å; Y108-L142 HydrophobicContact CG-CB 4.22Å; L135-L142 HydrophobicContact CD1-CD1 4.2Å; L135-L142 HydrophobicContact CD2-CD1 4.37Å; L135-L142 HydrophobicContact CG-CD1 3.86Å; Q139-L142 HydrophobicContact CB-CD1 3.72Å; Q139-L142 HydrophobicContact CB-CG 4Å; Q139-L142 PolarHBondContact O-N 2.95Å; P140-L142 PolarHBondContact O-N 3.35Å; L142-D144 PolarHBondContact O-N 3.28Å; L142-D144 VanDerWaalsContact O-N 3.09Å
143L98.4Very high98.2Very high5 Ų542.1 Ų42.13%0.02622%0.22CC..  trans-75.7104.1-173-17070.4000111.2Y108 P140 D141 R148 L151 C175 L186Y108-L143 HydrophobicContact CE2-CD1 4.48Å; P140-L143 PolarHBondContact O-N 2.96Å; D141-L143 VanDerWaalsContact C-N 3.27Å; D141-L143 PolarHBondContact O-N 3.43Å; L143-R148 HydrophobicContact CD2-CG 3.55Å; L143-R148 HydrophobicContact CG-CG 3.81Å; L143-R148 PolarHBondContact O-NH1 2.94Å; L143-L151 HydrophobicContact CD1-CD1 3.82Å; L143-L151 HydrophobicContact CD2-CD1 4.01Å; L143-C175 HydrophobicContact CB-CB 3.88Å; L143-C175 HydrophobicContact CD2-CB 3.4Å; L143-C175 VanDerWaalsContact CD2-CB 3.4Å; L143-C175 HydrophobicContact CG-CB 4.19Å; L143-L186 HydrophobicContact CD2-CD1 4.29Å
144D97.9Very high98.2Very high66 Ų6641.8 Ų41.835%0.35322%0.217SC..  trans-84.3178.9174.771.41.6000112.9Y108 L142 E146 G147 R148Y108-D144 HydrophobicContact CE1-CB 4.27Å; Y108-D144 PolarHBondContact OH-N 3.06Å; Y108-D144 VanDerWaalsContact OH-N 3.16Å; Y108-D144 PolarHBondContact OH-OD1 3.44Å; L142-D144 PolarHBondContact O-N 3.28Å; L142-D144 VanDerWaalsContact O-N 3.09Å; D144-E146 VanDerWaalsContact C-N 3.25Å; D144-E146 PolarHBondContact O-N 3.26Å; D144-E146 PolarHBondContact OD1-N 3.17Å; D144-G147 PolarHBondContact O-N 2.87Å; D144-G147 PolarHBondContact OD1-N 3.46Å; D144-R148 WeakPolarHBondContact O-CG 3.3Å; D144-R148 PolarHBondContact O-N 3.27Å; D144-R148 PolarHBondContact O-NH1 2.95Å
145K97.9Very high98.2Very high167 Ų16741.7 Ų41.773%0.72622%0.216SC*.Hα-helixtrans-59.3-38-179.8-178.3-179.6176-177.30112.1R148 Q149K145-R148 PolarHBondContact O-N 2.96Å; K145-Q149 PolarHBondContact O-N 3.19Å; K145-Q149 VanDerWaalsContact O-N 3.16Å
146E98.1Very high98.1Very high113 Ų11346.3 Ų46.353%0.52824%0.238SC..Hα-helixtrans-71-40-178.1-153.8-17217100111.2K116 D144 Q149 F150K116-E146 WeakPolarHBondContact CE-OE1 3.49Å; K116-E146 VanDerWaalsContact NZ-CG 3.33Å; K116-E146 IonicContact NZ-OE1 3.31Å; K116-E146 PolarHBondContact NZ-OE1 2.94Å; K116-E146 IonicContact NZ-OE2 2.7Å; K116-E146 PolarHBondContact NZ-OE2 2.98Å; D144-E146 VanDerWaalsContact C-N 3.25Å; D144-E146 PolarHBondContact O-N 3.26Å; D144-E146 PolarHBondContact OD1-N 3.17Å; E146-Q149 PolarHBondContact O-N 3.23Å; E146-F150 WeakPolarHBondContact O-CB 3.49Å; E146-F150 PolarHBondContact O-N 3.38Å
147G98.4Very high98.1Very high0 Ų050.5 Ų50.50%026%0.256CS..Hα-helixtrans-63.3-41.1172.600000112.7Y108 D144 Q149 F150 L151Y108-G147 WeakPolarHBondContact OH-CA 3.48Å; D144-G147 PolarHBondContact O-N 2.87Å; D144-G147 PolarHBondContact OD1-N 3.46Å; G147-Q149 PolarHBondContact O-N 2.65Å; G147-F150 PolarHBondContact O-N 3.48Å; G147-L151 WeakPolarHBondContact O-CG 3.37Å; G147-L151 PolarHBondContact O-N 3.31Å
148R98.4Very high98.1Very high39 Ų3949 Ų4915%0.14725%0.245CC..Hα-helixtrans-58.2-47.9174.4-73.5-170-65.7-82.414111.9L143 D144 K145 L151 V152 N182 D185 L186L143-R148 HydrophobicContact CD2-CG 3.55Å; L143-R148 HydrophobicContact CG-CG 3.81Å; L143-R148 PolarHBondContact O-NH1 2.94Å; D144-R148 WeakPolarHBondContact O-CG 3.3Å; D144-R148 PolarHBondContact O-N 3.27Å; D144-R148 PolarHBondContact O-NH1 2.95Å; K145-R148 PolarHBondContact O-N 2.96Å; R148-L151 PolarHBondContact O-N 2.84Å; R148-V152 PolarHBondContact O-N 3.44Å; R148-N182 PolarHBondContact NH1-OD1 3.25Å; R148-D185 IonicContact CZ-OD2 3.74Å; R148-D185 IonicContact NE-OD2 3.54Å; R148-D185 PolarHBondContact NE-OD2 3.37Å; R148-D185 VanDerWaalsContact NE-OD2 3.09Å; R148-D185 IonicContact NH2-OD2 3.56Å; R148-D185 PolarHBondContact NH2-OD2 3.05Å; R148-L186 HydrophobicContact CB-CD2 3.85Å; R148-L186 HydrophobicContact CB-CG 4.5Å; R148-L186 HydrophobicContact CG-CD2 3.93Å; R148-L186 HydrophobicContact CG-CG 4.11Å
149Q98.4Very high98Very high103 Ų10349.7 Ų49.748%0.48124%0.236SC..Hα-helixtrans-63-45.6177.3-172.961.354.200111.2K145 E146 G147 L151 V152 D153K145-Q149 PolarHBondContact O-N 3.19Å; K145-Q149 VanDerWaalsContact O-N 3.16Å; E146-Q149 PolarHBondContact O-N 3.23Å; G147-Q149 PolarHBondContact O-N 2.65Å; Q149-L151 VanDerWaalsContact C-N 3.31Å; Q149-L151 PolarHBondContact O-N 3.42Å; Q149-V152 PolarHBondContact O-N 3.16Å; Q149-V152 VanDerWaalsContact O-N 3.15Å; Q149-D153 PolarHBondContact NE2-OD1 3.4Å; Q149-D153 VanDerWaalsContact O-CG 3.23Å; Q149-D153 PolarHBondContact O-N 3.28Å
150F98.6Very high98Very high16 Ų1653.2 Ų53.27%0.0727%0.268CS..Hα-helixtrans-55.9-43.5177.6172.3-102.6000112.6L112 C115 K116 V119 L129 E146 G147 V152 D153 V154L112-F150 HydrophobicContact CD1-CB 4.2Å; L112-F150 HydrophobicContact CD1-CD1 3.74Å; L112-F150 HydrophobicContact CD1-CE1 4.36Å; L112-F150 HydrophobicContact CD1-CG 3.99Å; C115-F150 HydrophobicContact CB-CE1 3.69Å; C115-F150 HydrophobicContact CB-CE2 4.3Å; C115-F150 HydrophobicContact CB-CZ 3.45Å; C115-F150 VanDerWaalsContact CB-CZ 3.45Å; K116-F150 HydrophobicContact CG-CD2 3.69Å; K116-F150 HydrophobicContact CG-CE2 3.9Å; K116-F150 HydrophobicContact CG-CG 4.42Å; V119-F150 HydrophobicContact CB-CE2 4.5Å; V119-F150 HydrophobicContact CG2-CE2 4.13Å; L129-F150 HydrophobicContact CD2-CE1 3.89Å; L129-F150 HydrophobicContact CD2-CZ 4.41Å; E146-F150 WeakPolarHBondContact O-CB 3.49Å; E146-F150 PolarHBondContact O-N 3.38Å; G147-F150 PolarHBondContact O-N 3.48Å; F150-V152 PolarHBondContact O-N 3.32Å; F150-D153 PolarHBondContact O-N 2.9Å; F150-V154 HydrophobicContact CD1-CG2 4.26Å; F150-V154 HydrophobicContact CD2-CG2 3.99Å; F150-V154 HydrophobicContact CE1-CG2 3.77Å; F150-V154 HydrophobicContact CE2-CG2 3.46Å; F150-V154 VanDerWaalsContact CE2-CG2 3.46Å; F150-V154 HydrophobicContact CG-CG2 4.35Å; F150-V154 HydrophobicContact CZ-CG2 3.32Å; F150-V154 WeakPolarHBondContact O-CB 3.49Å; F150-V154 VanDerWaalsContact O-CG2 3.29Å; F150-V154 WeakPolarHBondContact O-CG2 3.26Å; F150-V154 PolarHBondContact O-N 3.38Å
151L98.6Very high98Very high0 Ų053.9 Ų53.90%027%0.271CS..Hα-helixtrans-64.2-39.7178.5-70.4172.3000112.6L129 L132 L143 G147 R148 Q149 L155 V171 V172L129-L151 HydrophobicContact CD2-CD2 4.48Å; L132-L151 HydrophobicContact CD2-CD2 4.4Å; L143-L151 HydrophobicContact CD1-CD1 3.82Å; L143-L151 HydrophobicContact CD2-CD1 4.01Å; G147-L151 WeakPolarHBondContact O-CG 3.37Å; G147-L151 PolarHBondContact O-N 3.31Å; R148-L151 PolarHBondContact O-N 2.84Å; Q149-L151 VanDerWaalsContact C-N 3.31Å; Q149-L151 PolarHBondContact O-N 3.42Å; L151-L155 WeakPolarHBondContact O-CB 3.35Å; L151-L155 WeakPolarHBondContact O-CG 3.38Å; L151-L155 PolarHBondContact O-N 2.9Å; L151-V171 HydrophobicContact CD1-CB 4.32Å; L151-V171 HydrophobicContact CD1-CG1 3.78Å; L151-V171 HydrophobicContact CD2-CB 3.84Å; L151-V171 HydrophobicContact CD2-CG1 3.83Å; L151-V171 HydrophobicContact CD2-CG2 4.31Å; L151-V171 HydrophobicContact CG-CG1 4.42Å; L151-V172 HydrophobicContact CB-CG2 4.16Å; L151-V172 HydrophobicContact CD1-CG2 3.98Å
152V98.6Very high98Very high5 Ų551 Ų513%0.0326%0.258CS..Hα-helixtrans-62.4-47.9174.2172.90000110.3R148 Q149 F150 V154 L155 Q156 L186 G189 M191 L194R148-V152 PolarHBondContact O-N 3.44Å; Q149-V152 PolarHBondContact O-N 3.16Å; Q149-V152 VanDerWaalsContact O-N 3.15Å; F150-V152 PolarHBondContact O-N 3.32Å; V152-V154 PolarHBondContact O-N 3.35Å; V152-L155 PolarHBondContact O-N 3.45Å; V152-Q156 WeakPolarHBondContact O-CG 3.4Å; V152-Q156 PolarHBondContact O-N 3.31Å; V152-L186 HydrophobicContact CG2-CD2 4.31Å; V152-G189 WeakPolarHBondContact CG1-O 3.45Å; V152-M191 HydrophobicContact CG2-CE 3.88Å; V152-L194 HydrophobicContact CG1-CD1 4.12Å
153D98.4Very high98Very high73 Ų7351.7 Ų51.739%0.3927%0.266SS..Hα-helixtrans-64.3-42.4-178-61.9-16.6000111.8Q149 F150 Q156 K157Q149-D153 PolarHBondContact NE2-OD1 3.4Å; Q149-D153 VanDerWaalsContact O-CG 3.23Å; Q149-D153 PolarHBondContact O-N 3.28Å; F150-D153 PolarHBondContact O-N 2.9Å; D153-Q156 PolarHBondContact O-N 3.17Å; D153-K157 WeakPolarHBondContact O-CB 3.26Å; D153-K157 PolarHBondContact O-N 3.08Å
154V98Very high98Very high2 Ų251.4 Ų51.41%0.01227%0.265CS..Hα-helixtrans-61.4-47.5175.6164.10000111V119 L129 F150 V152 Q156 K157 Y158 A168V119-V154 HydrophobicContact CG2-CG2 3.94Å; L129-V154 HydrophobicContact CD1-CG1 3.75Å; L129-V154 HydrophobicContact CD2-CG1 4.32Å; F150-V154 HydrophobicContact CD1-CG2 4.26Å; F150-V154 HydrophobicContact CD2-CG2 3.99Å; F150-V154 HydrophobicContact CE1-CG2 3.77Å; F150-V154 HydrophobicContact CE2-CG2 3.46Å; F150-V154 VanDerWaalsContact CE2-CG2 3.46Å; F150-V154 HydrophobicContact CG-CG2 4.35Å; F150-V154 HydrophobicContact CZ-CG2 3.32Å; F150-V154 WeakPolarHBondContact O-CB 3.49Å; F150-V154 VanDerWaalsContact O-CG2 3.29Å; F150-V154 WeakPolarHBondContact O-CG2 3.26Å; F150-V154 PolarHBondContact O-N 3.38Å; V152-V154 PolarHBondContact O-N 3.35Å; V154-Q156 VanDerWaalsContact C-N 3.26Å; V154-Q156 PolarHBondContact O-N 3.18Å; V154-K157 PolarHBondContact O-N 2.87Å; V154-Y158 HydrophobicContact CG1-CD2 4.27Å; V154-Y158 PolarHBondContact O-N 3.46Å; V154-A168 HydrophobicContact CG1-CB 4Å
155L98.3Very high98Very high6 Ų648.5 Ų48.53%0.03125%0.249CC..Hα-helixtrans-64.7-32.9178.5-78171.1000111.7L151 V152 Q159 T165 A168 I169 V172 M191 L194L151-L155 WeakPolarHBondContact O-CB 3.35Å; L151-L155 WeakPolarHBondContact O-CG 3.38Å; L151-L155 PolarHBondContact O-N 2.9Å; V152-L155 PolarHBondContact O-N 3.45Å; L155-Q159 WeakPolarHBondContact O-CG 3.4Å; L155-Q159 PolarHBondContact O-N 3.14Å; L155-T165 HydrophobicContact CD2-CG2 3.93Å; L155-A168 HydrophobicContact CD2-CB 3.68Å; L155-A168 HydrophobicContact CG-CB 3.91Å; L155-I169 HydrophobicContact CD1-CG1 4.36Å; L155-I169 HydrophobicContact CD2-CG1 3.79Å; L155-V172 HydrophobicContact CD1-CG2 4.22Å; L155-M191 HydrophobicContact CD1-CE 3.77Å; L155-M191 HydrophobicContact CD1-SD 3.53Å; L155-M191 VanDerWaalsContact CD1-SD 3.53Å; L155-L194 HydrophobicContact CB-CD1 3.99Å
156Q97.9Very high98Very high98 Ų9841.9 Ų41.946%0.45822%0.224SC..Hα-helixtrans-70-40.1173.6-75.8176.11.800112.8V152 D153 V154 Q159 L194V152-Q156 WeakPolarHBondContact O-CG 3.4Å; V152-Q156 PolarHBondContact O-N 3.31Å; D153-Q156 PolarHBondContact O-N 3.17Å; V154-Q156 VanDerWaalsContact C-N 3.26Å; V154-Q156 PolarHBondContact O-N 3.18Å; Q156-Q159 WeakPolarHBondContact O-CG 3.35Å; Q156-Q159 PolarHBondContact O-NE2 2.91Å; Q156-L194 HydrophobicContact CG-CD1 4.1Å; Q156-L194 HydrophobicContact CG-CD2 3.78Å
157K97.6Very high98.1Very high88 Ų8837.9 Ų37.938%0.38321%0.207SC..Hα-helixtrans-71.5-47.7-179.1-178.1176.6-176.8-179.50112.2V119 E120 D153 V154 Q159V119-K157 HydrophobicContact CG2-CD 4.5Å; V119-K157 PolarHBondContact O-NZ 3.01Å; E120-K157 IonicContact OE1-NZ 2.69Å; E120-K157 PolarHBondContact OE1-NZ 3.29Å; E120-K157 IonicContact OE2-NZ 2.7Å; E120-K157 PolarHBondContact OE2-NZ 3.27Å; D153-K157 WeakPolarHBondContact O-CB 3.26Å; D153-K157 PolarHBondContact O-N 3.08Å; V154-K157 PolarHBondContact O-N 2.87Å; K157-Q159 PolarHBondContact O-N 3.01Å
158Y97.3Very high98.1Very high30 Ų3037.9 Ų37.912%0.11821%0.207CC..SBendtrans-97.522.6-171.9-72.7-70.5000114.2V119 A125 V154 A160 D161 L164 T165V119-Y158 HydrophobicContact CG2-CE2 4.17Å; V119-Y158 WeakPolarHBondContact O-CE2 3.34Å; V119-Y158 PolarHBondContact O-OH 2.89Å; A125-Y158 HydrophobicContact CB-CE2 4.45Å; V154-Y158 HydrophobicContact CG1-CD2 4.27Å; V154-Y158 PolarHBondContact O-N 3.46Å; Y158-A160 PolarHBondContact O-N 3.46Å; Y158-D161 HydrophobicContact CD1-CB 4.47Å; Y158-D161 PolarHBondContact O-N 3.42Å; Y158-L164 HydrophobicContact CD1-CD1 3.36Å; Y158-L164 HydrophobicContact CD2-CD1 4.16Å; Y158-L164 HydrophobicContact CE1-CD1 3.56Å; Y158-L164 HydrophobicContact CE2-CD1 4.32Å; Y158-L164 HydrophobicContact CG-CB 4.28Å; Y158-L164 HydrophobicContact CG-CD1 3.68Å; Y158-T165 PolarHBondContact O-OG1 3.19Å
159Q96.6Very high98.1Very high63 Ų6336.1 Ų36.129%0.29420%0.201SC..THydrogen-bonded Turntrans-48.1-33.1179.8-77.4-172.963.100114.3L155 Q156 K157 R201 H202L155-Q159 WeakPolarHBondContact O-CG 3.4Å; L155-Q159 PolarHBondContact O-N 3.14Å; Q156-Q159 WeakPolarHBondContact O-CG 3.35Å; Q156-Q159 PolarHBondContact O-NE2 2.91Å; K157-Q159 PolarHBondContact O-N 3.01Å; Q159-R201 WeakPolarHBondContact O-CD 3.47Å; Q159-R201 VanDerWaalsContact OE1-NH1 3.17Å; Q159-H202 PolarHBondContact O-NE2 3.22Å
160A97.1Very high98.1Very high90 Ų9032.4 Ų32.474%0.74419%0.186SC*.THydrogen-bonded Turntrans-85.6-12-179.400000114.6Y158 H202Y158-A160 PolarHBondContact O-N 3.46Å; A160-H202 PolarHBondContact O-CE1 2.92Å
161D98Very high98.1Very high28 Ų2831.6 Ų31.615%0.1518%0.182CC..  trans-99.4111.7178.7-170.9-61.8000110.2R122 Y158 S163 L164 T165R122-D161 IonicContact CZ-OD2 2.96Å; R122-D161 VanDerWaalsContact CZ-OD2 3.31Å; R122-D161 IonicContact NE-OD2 2.7Å; R122-D161 PolarHBondContact NE-OD2 3.47Å; R122-D161 IonicContact NH2-OD1 3.3Å; R122-D161 PolarHBondContact NH2-OD1 3.16Å; R122-D161 IonicContact NH2-OD2 3.26Å; R122-D161 PolarHBondContact NH2-OD2 2.81Å; Y158-D161 HydrophobicContact CD1-CB 4.47Å; Y158-D161 PolarHBondContact O-N 3.42Å; D161-S163 VanDerWaalsContact C-N 3.32Å; D161-S163 PolarHBondContact O-N 3.08Å; D161-S163 WeakPolarHBondContact OD1-CA 3.13Å; D161-S163 WeakPolarHBondContact OD1-CB 3.31Å; D161-S163 PolarHBondContact OD1-N 3.35Å; D161-L164 HydrophobicContact CB-CB 4.16Å; D161-L164 HydrophobicContact CB-CD1 4.21Å; D161-L164 PolarHBondContact OD1-N 3.29Å; D161-T165 WeakPolarHBondContact O-CB 2.92Å; D161-T165 PolarHBondContact O-N 2.98Å; D161-T165 PolarHBondContact O-OG1 3.03Å
162S97.8Very high98.2Very high41 Ų4131.6 Ų31.629%0.28718%0.182SC..Hα-helixtrans-65.3-34.1-177.2590000112.7C166 L208S162-C166 WeakPolarHBondContact O-CB 3.44Å; S162-C166 PolarHBondContact O-N 3.45Å; S162-L208 WeakPolarHBondContact O-CD1 3.28Å
163S97.9Very high98.2Very high52 Ų5232.1 Ų32.136%0.36418%0.184SC..Hα-helixtrans-73.1-48.9-176.7-59.40000110.9D161 C166 V167D161-S163 VanDerWaalsContact C-N 3.32Å; D161-S163 PolarHBondContact O-N 3.08Å; D161-S163 WeakPolarHBondContact OD1-CA 3.13Å; D161-S163 WeakPolarHBondContact OD1-CB 3.31Å; D161-S163 PolarHBondContact OD1-N 3.35Å; S163-C166 PolarHBondContact O-N 3.31Å; S163-V167 WeakPolarHBondContact O-CG2 3.42Å; S163-V167 PolarHBondContact O-N 3.02Å
164L98Very high98.2Very high0 Ų029.6 Ų29.60%017%0.17CC..Hα-helixtrans-64.4-43.2176.9-77.6167.5000111.6R122 A125 L126 L129 Y158 D161 C166 V167 A168R122-L164 HydrophobicContact CG-CD1 3.79Å; A125-L164 HydrophobicContact CB-CD2 3.91Å; L126-L164 VanDerWaalsContact CA-CD2 3.49Å; L126-L164 HydrophobicContact CB-CD2 3.77Å; L126-L164 HydrophobicContact CB-CG 4.46Å; L126-L164 HydrophobicContact CD1-CD2 4.11Å; L126-L164 HydrophobicContact CD1-CG 4.46Å; L129-L164 HydrophobicContact CD1-CD2 3.71Å; Y158-L164 HydrophobicContact CD1-CD1 3.36Å; Y158-L164 HydrophobicContact CD2-CD1 4.16Å; Y158-L164 HydrophobicContact CE1-CD1 3.56Å; Y158-L164 HydrophobicContact CE2-CD1 4.32Å; Y158-L164 HydrophobicContact CG-CB 4.28Å; Y158-L164 HydrophobicContact CG-CD1 3.68Å; D161-L164 HydrophobicContact CB-CB 4.16Å; D161-L164 HydrophobicContact CB-CD1 4.21Å; D161-L164 PolarHBondContact OD1-N 3.29Å; L164-C166 PolarHBondContact O-N 3.16Å; L164-V167 PolarHBondContact O-N 2.89Å; L164-A168 WeakPolarHBondContact O-CB 3.43Å; L164-A168 PolarHBondContact O-N 3.34Å
165T98.4Very high98.2Very high4 Ų429.5 Ų29.53%0.02517%0.169CC..Hα-helixtrans-59.4-47.7175.7-60.60000110.6L155 Y158 D161 V167 A168 I169 A198 L208L155-T165 HydrophobicContact CD2-CG2 3.93Å; Y158-T165 PolarHBondContact O-OG1 3.19Å; D161-T165 WeakPolarHBondContact O-CB 2.92Å; D161-T165 PolarHBondContact O-N 2.98Å; D161-T165 PolarHBondContact O-OG1 3.03Å; T165-V167 PolarHBondContact O-N 3.23Å; T165-A168 PolarHBondContact O-N 3.35Å; T165-I169 HydrophobicContact CG2-CD1 3.77Å; T165-I169 HydrophobicContact CG2-CG1 4.33Å; T165-I169 WeakPolarHBondContact O-CB 3.26Å; T165-I169 VanDerWaalsContact O-CG1 3.24Å; T165-I169 WeakPolarHBondContact O-CG1 3.4Å; T165-I169 PolarHBondContact O-N 2.64Å; T165-A198 HydrophobicContact CG2-CB 3.87Å; T165-L208 HydrophobicContact CG2-CD1 3.91Å
166C98.6Very high98.2Very high28 Ų2829.2 Ų29.219%0.18917%0.168CC..Hα-helixtrans-60.7-46-179.5-170.40000112.1S162 S163 L164 I169 C170 L208S162-C166 WeakPolarHBondContact O-CB 3.44Å; S162-C166 PolarHBondContact O-N 3.45Å; S163-C166 PolarHBondContact O-N 3.31Å; L164-C166 PolarHBondContact O-N 3.16Å; C166-I169 PolarHBondContact O-N 3.26Å; C166-C170 WeakPolarHBondContact O-CB 3.42Å; C166-C170 PolarHBondContact O-N 2.94Å; C166-L208 HydrophobicContact CB-CB 4.32Å; C166-L208 HydrophobicContact CB-CG 4.42Å
167V98.7Very high98.2Very high30 Ų3026.9 Ų26.918%0.18216%0.157CC..Hα-helixtrans-68.2-40.6179.6178.90000111.4L126 L129 A133 S163 L164 T165 I169 C170 V171L126-V167 HydrophobicContact CD1-CB 4.42Å; L126-V167 HydrophobicContact CD1-CG2 3.87Å; L129-V167 VanDerWaalsContact C-CG1 3.48Å; L129-V167 HydrophobicContact CB-CB 4.47Å; L129-V167 HydrophobicContact CB-CG1 3.72Å; L129-V167 WeakPolarHBondContact O-CG1 3.46Å; A133-V167 HydrophobicContact CB-CG1 4.18Å; S163-V167 WeakPolarHBondContact O-CG2 3.42Å; S163-V167 PolarHBondContact O-N 3.02Å; L164-V167 PolarHBondContact O-N 2.89Å; T165-V167 PolarHBondContact O-N 3.23Å; V167-I169 PolarHBondContact O-N 3.13Å; V167-C170 VanDerWaalsContact O-CB 3.26Å; V167-C170 WeakPolarHBondContact O-CB 3.47Å; V167-C170 PolarHBondContact O-N 3.3Å; V167-C170 VanDerWaalsContact O-N 3.13Å; V167-V171 WeakPolarHBondContact O-CG2 3.32Å; V167-V171 PolarHBondContact O-N 2.9Å
168A98.8Very high98.2Very high0 Ų029.2 Ų29.20%017%0.168CC..Hα-helixtrans-63.5-40.7176.200000112.4L129 V154 L155 L164 T165 C170 V171 V172L129-A168 HydrophobicContact CD1-CB 4.36Å; V154-A168 HydrophobicContact CG1-CB 4Å; L155-A168 HydrophobicContact CD2-CB 3.68Å; L155-A168 HydrophobicContact CG-CB 3.91Å; L164-A168 WeakPolarHBondContact O-CB 3.43Å; L164-A168 PolarHBondContact O-N 3.34Å; T165-A168 PolarHBondContact O-N 3.35Å; A168-C170 VanDerWaalsContact C-N 3.28Å; A168-C170 PolarHBondContact O-N 3.43Å; A168-V171 PolarHBondContact O-N 2.92Å; A168-V172 WeakPolarHBondContact O-CG2 3.29Å; A168-V172 PolarHBondContact O-N 3.18Å; A168-V172 VanDerWaalsContact O-N 3.08Å
169I98.9Very high98.2Very high1 Ų128.9 Ų28.91%0.00517%0.167CC..Hα-helixtrans-62.6-37.1172.8-68.6177.7000111L155 T165 C166 V167 V172 R173 L195 A198 E211 A212 A215L155-I169 HydrophobicContact CD1-CG1 4.36Å; L155-I169 HydrophobicContact CD2-CG1 3.79Å; T165-I169 HydrophobicContact CG2-CD1 3.77Å; T165-I169 HydrophobicContact CG2-CG1 4.33Å; T165-I169 WeakPolarHBondContact O-CB 3.26Å; T165-I169 VanDerWaalsContact O-CG1 3.24Å; T165-I169 WeakPolarHBondContact O-CG1 3.4Å; T165-I169 PolarHBondContact O-N 2.64Å; C166-I169 PolarHBondContact O-N 3.26Å; V167-I169 PolarHBondContact O-N 3.13Å; I169-V172 WeakPolarHBondContact O-CB 3.41Å; I169-V172 PolarHBondContact O-N 2.73Å; I169-R173 PolarHBondContact O-N 2.93Å; I169-L195 HydrophobicContact CB-CD2 4.37Å; I169-L195 HydrophobicContact CD1-CD2 3.83Å; I169-L195 HydrophobicContact CG1-CD2 3.73Å; I169-L195 HydrophobicContact CG2-CD2 3.82Å; I169-A198 HydrophobicContact CD1-CB 3.84Å; I169-E211 HydrophobicContact CB-CG 4.35Å; I169-E211 HydrophobicContact CG2-CG 3.91Å; I169-A212 HydrophobicContact CD1-CB 3.8Å; I169-A215 HydrophobicContact CG2-CB 3.53Å
170C98.8Very high98.3Very high25 Ų2526.2 Ų26.217%0.16916%0.155CC..Hα-helixtrans-60.9-43.8175.3-175.30000112C166 V167 A168 V172 R173 H174 E211C166-C170 WeakPolarHBondContact O-CB 3.42Å; C166-C170 PolarHBondContact O-N 2.94Å; V167-C170 VanDerWaalsContact O-CB 3.26Å; V167-C170 WeakPolarHBondContact O-CB 3.47Å; V167-C170 PolarHBondContact O-N 3.3Å; V167-C170 VanDerWaalsContact O-N 3.13Å; A168-C170 VanDerWaalsContact C-N 3.28Å; A168-C170 PolarHBondContact O-N 3.43Å; C170-V172 PolarHBondContact O-N 3.28Å; C170-R173 PolarHBondContact O-N 3.11Å; C170-R173 PolarHBondContact SG-NH2 3.07Å; C170-H174 VanDerWaalsContact O-CG 3.29Å; C170-H174 PolarHBondContact O-N 2.94Å; C170-H174 PolarHBondContact SG-CE1 3.19Å; C170-E211 VanDerWaalsContact CA-OE1 3.26Å; C170-E211 WeakPolarHBondContact CA-OE1 3.47Å; C170-E211 HydrophobicContact CB-CG 4.32Å
171V98.8Very high98.3Very high0 Ų026.2 Ų26.20%014%0.139CC..Hα-helixtrans-58.6-49172.4-173.20000110.6L132 A133 T136 L151 V167 A168 R173 H174 C175L132-V171 HydrophobicContact CB-CG2 4.35Å; L132-V171 HydrophobicContact CD2-CG1 3.97Å; L132-V171 HydrophobicContact CD2-CG2 4.36Å; L132-V171 HydrophobicContact CG-CG1 3.9Å; L132-V171 HydrophobicContact CG-CG2 4.24Å; A133-V171 HydrophobicContact CB-CG2 3.7Å; T136-V171 HydrophobicContact CG2-CG1 4.38Å; L151-V171 HydrophobicContact CD1-CB 4.32Å; L151-V171 HydrophobicContact CD1-CG1 3.78Å; L151-V171 HydrophobicContact CD2-CB 3.84Å; L151-V171 HydrophobicContact CD2-CG1 3.83Å; L151-V171 HydrophobicContact CD2-CG2 4.31Å; L151-V171 HydrophobicContact CG-CG1 4.42Å; V167-V171 WeakPolarHBondContact O-CG2 3.32Å; V167-V171 PolarHBondContact O-N 2.9Å; A168-V171 PolarHBondContact O-N 2.92Å; V171-R173 VanDerWaalsContact C-N 3.29Å; V171-R173 PolarHBondContact O-N 3.43Å; V171-H174 PolarHBondContact O-N 3.41Å; V171-C175 PolarHBondContact O-N 3.35Å; V171-C175 PolarHBondContact O-SG 2.86Å
172V98.8Very high98.3Very high0 Ų025 Ų250%013%0.133CC..Hα-helixtrans-54.4-47.2177.8166.80000110.9L151 L155 A168 I169 C170 C175 C176 L186 M191 M219L151-V172 HydrophobicContact CB-CG2 4.16Å; L151-V172 HydrophobicContact CD1-CG2 3.98Å; L155-V172 HydrophobicContact CD1-CG2 4.22Å; A168-V172 WeakPolarHBondContact O-CG2 3.29Å; A168-V172 PolarHBondContact O-N 3.18Å; A168-V172 VanDerWaalsContact O-N 3.08Å; I169-V172 WeakPolarHBondContact O-CB 3.41Å; I169-V172 PolarHBondContact O-N 2.73Å; C170-V172 PolarHBondContact O-N 3.28Å; V172-C175 PolarHBondContact O-N 3.33Å; V172-C176 WeakPolarHBondContact O-CB 3.17Å; V172-C176 PolarHBondContact O-N 3.3Å; V172-C176 VanDerWaalsContact O-N 3.11Å; V172-C176 PolarHBondContact O-SG 3.4Å; V172-L186 HydrophobicContact CG1-CD1 4.25Å; V172-M191 HydrophobicContact CG1-CE 4.2Å; V172-M191 HydrophobicContact CG1-CG 4.07Å; V172-M191 HydrophobicContact CG1-SD 4.09Å; V172-M191 HydrophobicContact CG2-CE 3.51Å; V172-M191 HydrophobicContact CG2-SD 4.05Å; V172-M219 HydrophobicContact CG1-CE 3.38Å
173R98.6Very high98.3Very high16 Ų1623 Ų236%0.0612%0.119CC..Hα-helixtrans-61.5-49.9178.6-177.4175.953.966.612.4111.6I169 C170 V171 C175 C176 I177 E211 A215 V218I169-R173 PolarHBondContact O-N 2.93Å; C170-R173 PolarHBondContact O-N 3.11Å; C170-R173 PolarHBondContact SG-NH2 3.07Å; V171-R173 VanDerWaalsContact C-N 3.29Å; V171-R173 PolarHBondContact O-N 3.43Å; R173-C175 VanDerWaalsContact C-N 3.29Å; R173-C175 PolarHBondContact O-N 2.98Å; R173-C176 PolarHBondContact O-N 3.29Å; R173-C176 VanDerWaalsContact O-N 3.14Å; R173-I177 HydrophobicContact CG-CD1 4.2Å; R173-I177 WeakPolarHBondContact O-CG1 3.42Å; R173-I177 PolarHBondContact O-N 3.18Å; R173-E211 IonicContact CZ-OE1 3.2Å; R173-E211 IonicContact NE-OE1 3.49Å; R173-E211 PolarHBondContact NE-OE1 2.84Å; R173-E211 IonicContact NE-OE2 2.75Å; R173-E211 IonicContact NH2-OE1 3.09Å; R173-E211 PolarHBondContact NH2-OE1 3.49Å; R173-E211 IonicContact NH2-OE2 3.72Å; R173-A215 HydrophobicContact CB-CB 4.33Å; R173-V218 HydrophobicContact CG-CB 4.49Å; R173-V218 HydrophobicContact CG-CG2 3.97Å
174H98.6Very high98.3Very high20 Ų2021.8 Ų21.89%0.09311%0.108CC..Hα-helixtrans-57.3-43.4179.6-68.7166.1000112A133 D137 C170 V171 C176A133-H174 PolarHBondContact O-ND1 3.22Å; D137-H174 WeakPolarHBondContact CB-ND1 3.38Å; D137-H174 IonicContact OD1-CD2 2.64Å; D137-H174 IonicContact OD1-NE2 3.99Å; C170-H174 VanDerWaalsContact O-CG 3.29Å; C170-H174 PolarHBondContact O-N 2.94Å; C170-H174 PolarHBondContact SG-CE1 3.19Å; V171-H174 PolarHBondContact O-N 3.41Å; H174-C176 VanDerWaalsContact C-N 3.28Å; H174-C176 PolarHBondContact O-N 3.46Å
175C98.6Very high98.3Very high0 Ų023.9 Ų23.90%012%0.119CC..Hα-helixtrans-75.8-13.3-179.3-61.20000114.5T136 P140 L143 V171 V172 R173 N182T136-C175 VanDerWaalsContact CB-SG 3.59Å; P140-C175 WeakPolarHBondContact CB-O 3.11Å; L143-C175 HydrophobicContact CB-CB 3.88Å; L143-C175 HydrophobicContact CD2-CB 3.4Å; L143-C175 VanDerWaalsContact CD2-CB 3.4Å; L143-C175 HydrophobicContact CG-CB 4.19Å; V171-C175 PolarHBondContact O-N 3.35Å; V171-C175 PolarHBondContact O-SG 2.86Å; V172-C175 PolarHBondContact O-N 3.33Å; R173-C175 VanDerWaalsContact C-N 3.29Å; R173-C175 PolarHBondContact O-N 2.98Å; C175-N182 VanDerWaalsContact O-CB 3.31Å; C175-N182 WeakPolarHBondContact O-CB 3.29Å; C175-N182 PolarHBondContact O-ND2 3.3Å
176C98.6Very high98.3Very high0 Ų023.7 Ų23.70%012%0.118CC..Hα-helixtrans-98.1-17.5178.5-76.80000113.9V172 R173 H174 K178 H179 R183 L186 V218 M219V172-C176 WeakPolarHBondContact O-CB 3.17Å; V172-C176 PolarHBondContact O-N 3.3Å; V172-C176 VanDerWaalsContact O-N 3.11Å; V172-C176 PolarHBondContact O-SG 3.4Å; R173-C176 PolarHBondContact O-N 3.29Å; R173-C176 VanDerWaalsContact O-N 3.14Å; H174-C176 VanDerWaalsContact C-N 3.28Å; H174-C176 PolarHBondContact O-N 3.46Å; C176-K178 PolarHBondContact O-N 3.09Å; C176-H179 PolarHBondContact O-N 2.83Å; C176-R183 HydrophobicContact CB-CG 3.66Å; C176-R183 PolarHBondContact O-NH1 3.17Å; C176-L186 VanDerWaalsContact SG-CD1 3.57Å; C176-V218 HydrophobicContact CB-CG1 3.52Å; C176-M219 HydrophobicContact CB-CE 4.42Å
177I98.2Very high98.3Very high48 Ų4823.7 Ų23.725%0.24612%0.116CC..THydrogen-bonded Turntrans-67.9129.8177.2-70.7164.9000109.2R173 H179 V218R173-I177 HydrophobicContact CG-CD1 4.2Å; R173-I177 WeakPolarHBondContact O-CG1 3.42Å; R173-I177 PolarHBondContact O-N 3.18Å; I177-H179 PolarHBondContact O-N 3.26Å; I177-H179 VanDerWaalsContact O-N 3.12Å; I177-V218 HydrophobicContact CG1-CG1 3.96Å; I177-V218 HydrophobicContact CG1-CG2 3.98Å
178K97.1Very high98.3Very high138 Ų13829.5 Ų29.560%0.614%0.139SC*.THydrogen-bonded Turntrans53.527.2-177.9-57.5177.1-179.9178.10114.6C176 D223 D224 R226C176-K178 PolarHBondContact O-N 3.09Å; K178-D223 WeakPolarHBondContact CA-OD1 3.24Å; K178-D223 HydrophobicContact CG-CB 4.46Å; K178-D223 VanDerWaalsContact N-CG 3.32Å; K178-D223 PolarHBondContact N-OD1 3.07Å; K178-D223 PolarHBondContact N-OD2 2.83Å; K178-D224 VanDerWaalsContact O-CG 3.23Å; K178-R226 PolarHBondContact O-NH2 3Å
179H97.9Very high98.2Very high23 Ų2331.1 Ų31.111%0.10616%0.156CC..  trans-141.295.4-179.1-163.5-48.9000112P140 D141 C176 I177 N182 R183 D224 R226P140-H179 HydrophobicContact CB-CB 3.7Å; P140-H179 HydrophobicContact CG-CB 4.07Å; D141-H179 IonicContact OD1-CD2 2.79Å; D141-H179 PolarHBondContact OD1-CD2 2.89Å; D141-H179 IonicContact OD1-NE2 3.17Å; D141-H179 PolarHBondContact OD1-NE2 3.4Å; C176-H179 PolarHBondContact O-N 2.83Å; I177-H179 PolarHBondContact O-N 3.26Å; I177-H179 VanDerWaalsContact O-N 3.12Å; H179-N182 HydrophobicContact CB-CB 4.37Å; H179-N182 PolarHBondContact ND1-N 2.91Å; H179-R183 PolarHBondContact O-N 3.47Å; H179-D224 VanDerWaalsContact CA-OD2 3.3Å; H179-D224 WeakPolarHBondContact CA-OD2 3.3Å; H179-R226 PolarHBondContact CD2-NH2 3.44Å
180E97.6Very high98.2Very high6 Ų632.3 Ų32.33%0.02817%0.168CC..Hα-helixtrans-67.5-43-172.6177.256.9-163.300113.1N182 R183 Q184 D224 A227 G230 H231E180-N182 VanDerWaalsContact C-N 3.32Å; E180-N182 PolarHBondContact O-N 3.45Å; E180-R183 WeakPolarHBondContact O-CB 3.48Å; E180-R183 PolarHBondContact O-N 3.19Å; E180-R183 IonicContact OE2-CZ 3.51Å; E180-R183 IonicContact OE2-NE 3.96Å; E180-R183 PolarHBondContact OE2-NE 3.29Å; E180-R183 IonicContact OE2-NH2 2.92Å; E180-R183 PolarHBondContact OE2-NH2 3.2Å; E180-Q184 PolarHBondContact O-N 2.99Å; E180-Q184 WeakPolarHBondContact OE1-CG 3.49Å; E180-Q184 PolarHBondContact OE1-NE2 2.93Å; E180-D224 HydrophobicContact CB-CB 4.01Å; E180-D224 PolarHBondContact N-OD2 2.91Å; E180-A227 HydrophobicContact CB-CB 3.68Å; E180-A227 HydrophobicContact CG-CB 3.98Å; E180-G230 WeakPolarHBondContact OE1-CA 3.47Å; E180-H231 IonicContact OE1-CD2 2.89Å; E180-H231 PolarHBondContact OE1-N 3.49Å
181Q97.4Very high98.2Very high91 Ų9131.1 Ų31.143%0.42516%0.16SC..Hα-helixtrans-64.1-36.7-177.4-169.664.15200112.6Q184 D185Q181-Q184 PolarHBondContact O-N 3.36Å; Q181-D185 PolarHBondContact NE2-OD1 3.3Å; Q181-D185 WeakPolarHBondContact O-CB 3.36Å; Q181-D185 PolarHBondContact O-N 2.89Å
182N98.1Very high98.2Very high2 Ų231.2 Ų31.21%0.01116%0.161CC..Hα-helixtrans-62.9-43.5175.4-78.4-12.1000111.2P140 R148 C175 H179 E180 D185 L186P140-N182 PolarHBondContact O-ND2 2.88Å; R148-N182 PolarHBondContact NH1-OD1 3.25Å; C175-N182 VanDerWaalsContact O-CB 3.31Å; C175-N182 WeakPolarHBondContact O-CB 3.29Å; C175-N182 PolarHBondContact O-ND2 3.3Å; H179-N182 HydrophobicContact CB-CB 4.37Å; H179-N182 PolarHBondContact ND1-N 2.91Å; E180-N182 VanDerWaalsContact C-N 3.32Å; E180-N182 PolarHBondContact O-N 3.45Å; N182-D185 PolarHBondContact O-N 2.83Å; N182-L186 VanDerWaalsContact O-CB 3.29Å; N182-L186 WeakPolarHBondContact O-CB 3.13Å; N182-L186 WeakPolarHBondContact O-CD1 3.46Å; N182-L186 VanDerWaalsContact O-CG 3.27Å; N182-L186 WeakPolarHBondContact O-CG 3.36Å; N182-L186 PolarHBondContact O-N 3.23Å
183R98.3Very high98.2Very high0 Ų034 Ų340%018%0.179CC..Hα-helixtrans-57.2-51.9173.6-69.2-177-68.4-105.213.6110.8C176 H179 E180 D185 L186 V187 V218 M219 F221 D223C176-R183 HydrophobicContact CB-CG 3.66Å; C176-R183 PolarHBondContact O-NH1 3.17Å; H179-R183 PolarHBondContact O-N 3.47Å; E180-R183 WeakPolarHBondContact O-CB 3.48Å; E180-R183 PolarHBondContact O-N 3.19Å; E180-R183 IonicContact OE2-CZ 3.51Å; E180-R183 IonicContact OE2-NE 3.96Å; E180-R183 PolarHBondContact OE2-NE 3.29Å; E180-R183 IonicContact OE2-NH2 2.92Å; E180-R183 PolarHBondContact OE2-NH2 3.2Å; R183-D185 PolarHBondContact O-N 2.68Å; R183-L186 PolarHBondContact O-N 3.29Å; R183-V187 WeakPolarHBondContact O-CB 3.46Å; R183-V187 VanDerWaalsContact O-CG2 3.24Å; R183-V187 WeakPolarHBondContact O-CG2 3.46Å; R183-V187 PolarHBondContact O-N 2.92Å; R183-V218 WeakPolarHBondContact CD-O 3.27Å; R183-M219 HydrophobicContact CB-SD 4.32Å; R183-M219 HydrophobicContact CG-SD 4.16Å; R183-F221 PolarHBondContact NH2-O 3.3Å; R183-D223 IonicContact CZ-OD1 3.39Å; R183-D223 IonicContact NH1-OD1 2.67Å; R183-D223 PolarHBondContact NH1-OD1 3.39Å; R183-D223 IonicContact NH2-OD1 2.99Å; R183-D223 PolarHBondContact NH2-OD1 3.45Å
184Q97.7Very high98.2Very high26 Ų2634.3 Ų34.312%0.12118%0.182CC..Hα-helixtrans-60.8-46-178.5-68.4-170.525.600112.9E180 Q181 V187 K188 H231E180-Q184 PolarHBondContact O-N 2.99Å; E180-Q184 WeakPolarHBondContact OE1-CG 3.49Å; E180-Q184 PolarHBondContact OE1-NE2 2.93Å; Q181-Q184 PolarHBondContact O-N 3.36Å; Q184-V187 PolarHBondContact O-N 3.22Å; Q184-K188 WeakPolarHBondContact O-CB 3.27Å; Q184-K188 VanDerWaalsContact O-CG 3.24Å; Q184-K188 WeakPolarHBondContact O-CG 3.29Å; Q184-K188 PolarHBondContact O-N 2.91Å; Q184-H231 PolarHBondContact NE2-CD2 2.9Å
185D98.2Very high98.2Very high43 Ų4333.3 Ų33.323%0.2318%0.177CC..Hα-helixtrans-66.6-40.8-177.9-75.90.9000111.5R148 Q181 N182 R183 K188 G189R148-D185 IonicContact CZ-OD2 3.74Å; R148-D185 IonicContact NE-OD2 3.54Å; R148-D185 PolarHBondContact NE-OD2 3.37Å; R148-D185 VanDerWaalsContact NE-OD2 3.09Å; R148-D185 IonicContact NH2-OD2 3.56Å; R148-D185 PolarHBondContact NH2-OD2 3.05Å; Q181-D185 PolarHBondContact NE2-OD1 3.3Å; Q181-D185 WeakPolarHBondContact O-CB 3.36Å; Q181-D185 PolarHBondContact O-N 2.89Å; N182-D185 PolarHBondContact O-N 2.83Å; R183-D185 PolarHBondContact O-N 2.68Å; D185-K188 PolarHBondContact O-N 2.67Å; D185-G189 PolarHBondContact O-N 2.78Å
186L98.6Very high98.2Very high1 Ų133.7 Ų33.71%0.00518%0.18CC..Hα-helixtrans-70-39.2177.4-71.2167.6000111.9L143 R148 V152 V172 C176 N182 R183 G189 G190 M191L143-L186 HydrophobicContact CD2-CD1 4.29Å; R148-L186 HydrophobicContact CB-CD2 3.85Å; R148-L186 HydrophobicContact CB-CG 4.5Å; R148-L186 HydrophobicContact CG-CD2 3.93Å; R148-L186 HydrophobicContact CG-CG 4.11Å; V152-L186 HydrophobicContact CG2-CD2 4.31Å; V172-L186 HydrophobicContact CG1-CD1 4.25Å; C176-L186 VanDerWaalsContact SG-CD1 3.57Å; N182-L186 VanDerWaalsContact O-CB 3.29Å; N182-L186 WeakPolarHBondContact O-CB 3.13Å; N182-L186 WeakPolarHBondContact O-CD1 3.46Å; N182-L186 VanDerWaalsContact O-CG 3.27Å; N182-L186 WeakPolarHBondContact O-CG 3.36Å; N182-L186 PolarHBondContact O-N 3.23Å; R183-L186 PolarHBondContact O-N 3.29Å; L186-G189 CarbonylContact O-C 3.6Å; L186-G189 WeakPolarHBondContact O-CA 3.46Å; L186-G189 PolarHBondContact O-N 2.89Å; L186-G189 VanDerWaalsContact O-N 3.14Å; L186-G190 PolarHBondContact O-N 3.03Å; L186-M191 HydrophobicContact CB-CB 4.08Å; L186-M191 HydrophobicContact CB-CG 4.44Å; L186-M191 HydrophobicContact CD2-CE 3.89Å; L186-M191 WeakPolarHBondContact O-CB 3.41Å; L186-M191 PolarHBondContact O-N 3.26Å
187V98.4Very high98.2Very high27 Ų2734.7 Ų34.716%0.16419%0.19CC..Hα-helixtrans-61.3-47.2172.9169.30000110.5R183 Q184 G189 G190 L192 M219R183-V187 WeakPolarHBondContact O-CB 3.46Å; R183-V187 VanDerWaalsContact O-CG2 3.24Å; R183-V187 WeakPolarHBondContact O-CG2 3.46Å; R183-V187 PolarHBondContact O-N 2.92Å; Q184-V187 PolarHBondContact O-N 3.22Å; V187-G189 PolarHBondContact O-N 3.45Å; V187-G190 PolarHBondContact O-N 3.34Å; V187-L192 HydrophobicContact CG1-CD1 3.83Å; V187-L192 HydrophobicContact CG1-CG 4.19Å; V187-L192 HydrophobicContact CG2-CD1 4.21Å; V187-L192 HydrophobicContact CG2-CD2 3.97Å; V187-L192 HydrophobicContact CG2-CG 3.97Å; V187-M219 HydrophobicContact CG2-SD 4.21Å
188K97.8Very high98.2Very high152 Ų15232.6 Ų32.666%0.66118%0.179SC*.Hα-helixtrans-60-31.2173.8-72.6168.9-172.4165.10112.6Q184 D185 G190Q184-K188 WeakPolarHBondContact O-CB 3.27Å; Q184-K188 VanDerWaalsContact O-CG 3.24Å; Q184-K188 WeakPolarHBondContact O-CG 3.29Å; Q184-K188 PolarHBondContact O-N 2.91Å; D185-K188 PolarHBondContact O-N 2.67Å; K188-G190 PolarHBondContact O-N 2.71Å
189G97.6Very high98.3Very high34 Ų3426 Ų2635%0.35115%0.151SC..THydrogen-bonded Turntrans-76.61.5174.800000115.2V152 D185 L186 V187V152-G189 WeakPolarHBondContact CG1-O 3.45Å; D185-G189 PolarHBondContact O-N 2.78Å; L186-G189 CarbonylContact O-C 3.6Å; L186-G189 WeakPolarHBondContact O-CA 3.46Å; L186-G189 PolarHBondContact O-N 2.89Å; L186-G189 VanDerWaalsContact O-N 3.14Å; V187-G189 PolarHBondContact O-N 3.45Å
190G98.1Very high98.3Very high26 Ų2628.5 Ų28.527%0.26817%0.168SC..THydrogen-bonded Turntrans85.127.4178.600000114.4L186 V187 K188 P193L186-G190 PolarHBondContact O-N 3.03Å; V187-G190 PolarHBondContact O-N 3.34Å; K188-G190 PolarHBondContact O-N 2.71Å; G190-P193 VanDerWaalsContact O-CD 3.25Å; G190-P193 WeakPolarHBondContact O-CD 3.45Å; G190-P193 VanDerWaalsContact O-CG 3.27Å; G190-P193 WeakPolarHBondContact O-CG 3.39Å
191M98.6Very high98.3Very high0 Ų033.7 Ų33.70%019%0.187CC..Hα-helixtrans-66.6-38.8179.3-173.855.766.400113.7V152 L155 V172 L186 L194 L195 M219V152-M191 HydrophobicContact CG2-CE 3.88Å; L155-M191 HydrophobicContact CD1-CE 3.77Å; L155-M191 HydrophobicContact CD1-SD 3.53Å; L155-M191 VanDerWaalsContact CD1-SD 3.53Å; V172-M191 HydrophobicContact CG1-CE 4.2Å; V172-M191 HydrophobicContact CG1-CG 4.07Å; V172-M191 HydrophobicContact CG1-SD 4.09Å; V172-M191 HydrophobicContact CG2-CE 3.51Å; V172-M191 HydrophobicContact CG2-SD 4.05Å; L186-M191 HydrophobicContact CB-CB 4.08Å; L186-M191 HydrophobicContact CB-CG 4.44Å; L186-M191 HydrophobicContact CD2-CE 3.89Å; L186-M191 WeakPolarHBondContact O-CB 3.41Å; L186-M191 PolarHBondContact O-N 3.26Å; M191-L194 WeakPolarHBondContact O-CB 3.19Å; M191-L194 PolarHBondContact O-N 2.93Å; M191-L194 VanDerWaalsContact O-N 3.11Å; M191-L195 HydrophobicContact CG-CD1 4Å; M191-L195 HydrophobicContact CG-CG 4.07Å; M191-L195 WeakPolarHBondContact O-CG 3.43Å; M191-L195 PolarHBondContact O-N 2.95Å; M191-L195 HydrophobicContact SD-CD2 4.25Å; M191-L195 HydrophobicContact SD-CG 4.16Å; M191-M219 HydrophobicContact CG-CE 3.96Å
192L98.7Very high98.3Very high3 Ų330.1 Ų30.12%0.01617%0.17CC..Hα-helixtrans-58.3-46.6-176.8-58.9-178.3000114.8V187 L194 L195 T196 L216 M219 S238 I239 H243V187-L192 HydrophobicContact CG1-CD1 3.83Å; V187-L192 HydrophobicContact CG1-CG 4.19Å; V187-L192 HydrophobicContact CG2-CD1 4.21Å; V187-L192 HydrophobicContact CG2-CD2 3.97Å; V187-L192 HydrophobicContact CG2-CG 3.97Å; L192-L194 VanDerWaalsContact C-N 3.27Å; L192-L194 PolarHBondContact O-N 2.95Å; L192-L195 PolarHBondContact O-N 3.43Å; L192-T196 PolarHBondContact O-N 3.48Å; L192-T196 PolarHBondContact O-OG1 3.48Å; L192-L216 HydrophobicContact CD2-CD2 4.2Å; L192-M219 HydrophobicContact CD2-CB 4.08Å; L192-M219 HydrophobicContact CD2-CG 3.89Å; L192-S238 WeakPolarHBondContact CD1-OG 3.5Å; L192-I239 HydrophobicContact CD1-CG1 3.98Å; L192-I239 HydrophobicContact CD2-CD1 4.09Å; L192-I239 HydrophobicContact CD2-CG1 3.82Å; L192-I239 HydrophobicContact CG-CG1 4.38Å; L192-H243 WeakPolarHBondContact CB-CD2 3.4Å
193P98.7Very high98.2Very high58 Ų5832.5 Ų32.538%0.37719%0.187SC..Hα-helixtrans-66.7-27.5175.225-33.6000112.8G190 T196 G197G190-P193 VanDerWaalsContact O-CD 3.25Å; G190-P193 WeakPolarHBondContact O-CD 3.45Å; G190-P193 VanDerWaalsContact O-CG 3.27Å; G190-P193 WeakPolarHBondContact O-CG 3.39Å; P193-T196 WeakPolarHBondContact CA-OG1 3.37Å; P193-T196 PolarHBondContact O-OG1 3.26Å; P193-G197 WeakPolarHBondContact O-CA 3.38Å; P193-G197 PolarHBondContact O-N 3.06Å
194L98.8Very high98Very high22 Ų2239 Ų3912%0.11522%0.222CC..Hα-helixtrans-69.1-42.9174.4-64.8171.6000111.4V152 L155 Q156 M191 L192 A198V152-L194 HydrophobicContact CG1-CD1 4.12Å; L155-L194 HydrophobicContact CB-CD1 3.99Å; Q156-L194 HydrophobicContact CG-CD1 4.1Å; Q156-L194 HydrophobicContact CG-CD2 3.78Å; M191-L194 WeakPolarHBondContact O-CB 3.19Å; M191-L194 PolarHBondContact O-N 2.93Å; M191-L194 VanDerWaalsContact O-N 3.11Å; L192-L194 VanDerWaalsContact C-N 3.27Å; L192-L194 PolarHBondContact O-N 2.95Å; L194-A198 VanDerWaalsContact O-CB 3.3Å; L194-A198 WeakPolarHBondContact O-CB 3.49Å; L194-A198 PolarHBondContact O-N 3.3Å
195L98.8Very high98Very high0 Ų039.5 Ų39.50%023%0.228CC..Hα-helixtrans-65.9-47.4177.9-64.8177.9000112.2I169 M191 L192 A198 I199 A215 L216 M219I169-L195 HydrophobicContact CB-CD2 4.37Å; I169-L195 HydrophobicContact CD1-CD2 3.83Å; I169-L195 HydrophobicContact CG1-CD2 3.73Å; I169-L195 HydrophobicContact CG2-CD2 3.82Å; M191-L195 HydrophobicContact CG-CD1 4Å; M191-L195 HydrophobicContact CG-CG 4.07Å; M191-L195 WeakPolarHBondContact O-CG 3.43Å; M191-L195 PolarHBondContact O-N 2.95Å; M191-L195 HydrophobicContact SD-CD2 4.25Å; M191-L195 HydrophobicContact SD-CG 4.16Å; L192-L195 PolarHBondContact O-N 3.43Å; L195-A198 WeakPolarHBondContact O-CB 3.38Å; L195-A198 PolarHBondContact O-N 3.02Å; L195-I199 PolarHBondContact O-N 2.98Å; L195-A215 HydrophobicContact CD1-CB 3.88Å; L195-A215 HydrophobicContact CD2-CB 3.81Å; L195-A215 HydrophobicContact CG-CB 4.5Å; L195-L216 HydrophobicContact CB-CD2 3.7Å; L195-L216 HydrophobicContact CB-CG 3.84Å; L195-L216 HydrophobicContact CD1-CD2 3.86Å; L195-L216 HydrophobicContact CD1-CG 4.1Å; L195-L216 HydrophobicContact CG-CD2 4.44Å; L195-M219 HydrophobicContact CD1-CE 4.21Å; L195-M219 HydrophobicContact CD1-CG 4.38Å
196T98.7Very high97.9Very high8 Ų838.2 Ų38.25%0.04922%0.224CC..Hα-helixtrans-66.3-38.9176.949.30000112.2L192 P193 A198 I199 T200 L216 H243 I248L192-T196 PolarHBondContact O-N 3.48Å; L192-T196 PolarHBondContact O-OG1 3.48Å; P193-T196 WeakPolarHBondContact CA-OG1 3.37Å; P193-T196 PolarHBondContact O-OG1 3.26Å; T196-A198 VanDerWaalsContact C-N 3.34Å; T196-A198 PolarHBondContact O-N 3.21Å; T196-I199 PolarHBondContact O-N 2.86Å; T196-T200 PolarHBondContact O-N 3.43Å; T196-T200 VanDerWaalsContact O-N 3.14Å; T196-T200 PolarHBondContact O-OG1 2.85Å; T196-L216 HydrophobicContact CG2-CD1 3.93Å; T196-L216 HydrophobicContact CG2-CD2 4.12Å; T196-H243 HydrophobicContact CG2-CB 3.98Å; T196-I248 HydrophobicContact CG2-CD1 4.4Å
197G98.6Very high97.9Very high21 Ų2141.3 Ų41.322%0.21625%0.249CC..Hα-helixtrans-63.2-36.7172.800000113.1P193 T200 R201P193-G197 WeakPolarHBondContact O-CA 3.38Å; P193-G197 PolarHBondContact O-N 3.06Å; G197-T200 PolarHBondContact O-N 2.91Å; G197-R201 VanDerWaalsContact O-CB 3.24Å; G197-R201 WeakPolarHBondContact O-CB 3.43Å; G197-R201 PolarHBondContact O-N 3.47Å
198A98.7Very high97.9Very high3 Ų340 Ų403%0.02524%0.241CC..Hα-helixtrans-64.3-4517600000112T165 I169 L194 L195 T196 T200 R201 H202 L208T165-A198 HydrophobicContact CG2-CB 3.87Å; I169-A198 HydrophobicContact CD1-CB 3.84Å; L194-A198 VanDerWaalsContact O-CB 3.3Å; L194-A198 WeakPolarHBondContact O-CB 3.49Å; L194-A198 PolarHBondContact O-N 3.3Å; L195-A198 WeakPolarHBondContact O-CB 3.38Å; L195-A198 PolarHBondContact O-N 3.02Å; T196-A198 VanDerWaalsContact C-N 3.34Å; T196-A198 PolarHBondContact O-N 3.21Å; A198-T200 VanDerWaalsContact C-N 3.31Å; A198-T200 PolarHBondContact O-N 3.41Å; A198-R201 PolarHBondContact O-N 3.32Å; A198-H202 PolarHBondContact O-N 2.66Å; A198-L208 HydrophobicContact CB-CD2 4.01Å; A198-L208 WeakPolarHBondContact O-CD2 3.39Å
199I98.7Very high97.9Very high1 Ų132.8 Ų32.81%0.00521%0.21CC..Hα-helixtrans-59.1-44.8175.6-63.9168.7000110.8L195 T196 S203 V209 A212 L216 I248 L249 A252L195-I199 PolarHBondContact O-N 2.98Å; T196-I199 PolarHBondContact O-N 2.86Å; I199-S203 WeakPolarHBondContact O-CA 3.39Å; I199-S203 PolarHBondContact O-N 3.31Å; I199-V209 HydrophobicContact CG2-CG1 4.29Å; I199-V209 HydrophobicContact CG2-CG2 4.38Å; I199-A212 HydrophobicContact CD1-CB 4.09Å; I199-A212 HydrophobicContact CG1-CB 3.52Å; I199-L216 HydrophobicContact CD1-CD1 3.61Å; I199-I248 HydrophobicContact CB-CG2 3.85Å; I199-I248 HydrophobicContact CG2-CG2 3.56Å; I199-L249 HydrophobicContact CD1-CD2 3.98Å; I199-A252 HydrophobicContact CG2-CB 3.65Å
200T98.3Very high98Very high74 Ų7434.3 Ų34.345%0.45421%0.207SC..Hα-helixtrans-66.7-46-178-54.10000111.5T196 G197 A198 S203T196-T200 PolarHBondContact O-N 3.43Å; T196-T200 VanDerWaalsContact O-N 3.14Å; T196-T200 PolarHBondContact O-OG1 2.85Å; G197-T200 PolarHBondContact O-N 2.91Å; A198-T200 VanDerWaalsContact C-N 3.31Å; A198-T200 PolarHBondContact O-N 3.41Å; T200-S203 PolarHBondContact O-OG 2.96Å
201R98Very high98Very high115 Ų11534.1 Ų34.143%0.43420%0.199SC..Hα-helixtrans-71.6-38.1-174.4-175.5179.4-66.7114.6-4.2113.1Q159 G197 A198Q159-R201 WeakPolarHBondContact O-CD 3.47Å; Q159-R201 VanDerWaalsContact OE1-NH1 3.17Å; G197-R201 VanDerWaalsContact O-CB 3.24Å; G197-R201 WeakPolarHBondContact O-CB 3.43Å; G197-R201 PolarHBondContact O-N 3.47Å; A198-R201 PolarHBondContact O-N 3.32Å
202H97.3Very high98Very high16 Ų1634.1 Ų34.17%0.07420%0.199CC..THydrogen-bonded Turntrans-110.142.9-177.1-60.6-73000110.8Q159 A160 A198 D204 C205 L208 V209Q159-H202 PolarHBondContact O-NE2 3.22Å; A160-H202 PolarHBondContact O-CE1 2.92Å; A198-H202 PolarHBondContact O-N 2.66Å; H202-D204 PolarHBondContact O-N 3.41Å; H202-C205 HydrophobicContact CB-CB 4.14Å; H202-C205 WeakPolarHBondContact O-CB 3.35Å; H202-C205 PolarHBondContact O-N 3.3Å; H202-L208 HydrophobicContact CB-CD1 3.69Å; H202-L208 HydrophobicContact CB-CD2 3.81Å; H202-L208 HydrophobicContact CB-CG 4.24Å; H202-L208 VanDerWaalsContact CD2-CD1 3.46Å; H202-L208 WeakPolarHBondContact CD2-CD1 3.36Å; H202-V209 WeakPolarHBondContact O-CG2 3.33Å
203S95.4Very high98Very high53 Ų5334 Ų3437%0.37120%0.198SC..THydrogen-bonded Turntrans-66.6-11.9-175.552.50000114.2I199 T200 H256I199-S203 WeakPolarHBondContact O-CA 3.39Å; I199-S203 PolarHBondContact O-N 3.31Å; T200-S203 PolarHBondContact O-OG 2.96Å; S203-H256 PolarHBondContact O-CE1 2.7Å; S203-H256 PolarHBondContact O-NE2 3.33Å
204D94.6Very high98Very high135 Ų13534.7 Ų34.772%0.72219%0.193SC*.THydrogen-bonded Turntrans-90-16.9171.863.4-33.5000112.7H202 A206H202-D204 PolarHBondContact O-N 3.41Å; D204-A206 PolarHBondContact O-N 3.47Å
205C97.2Very high98Very high37 Ų3733.7 Ų33.725%0.2519%0.188CC..  trans-9489.3-178.1-170.40000111.8H202 A207 L208 V209H202-C205 HydrophobicContact CB-CB 4.14Å; H202-C205 WeakPolarHBondContact O-CB 3.35Å; H202-C205 PolarHBondContact O-N 3.3Å; C205-A207 PolarHBondContact O-N 2.76Å; C205-A207 VanDerWaalsContact O-N 3.13Å; C205-L208 HydrophobicContact CB-CB 4.11Å; C205-L208 PolarHBondContact O-N 3.27Å; C205-V209 PolarHBondContact O-N 3.27Å
206A97.5Very high98Very high17 Ų1733.7 Ų33.714%0.1419%0.188CC..Hα-helixtrans-56.9-33.4-176.600000114.4D204 K210 N259 A262D204-A206 PolarHBondContact O-N 3.47Å; A206-K210 VanDerWaalsContact O-CB 3.26Å; A206-K210 WeakPolarHBondContact O-CB 3.46Å; A206-K210 PolarHBondContact O-N 2.8Å; A206-N259 HydrophobicContact CB-CB 4.16Å; A206-N259 WeakPolarHBondContact CB-ND2 3.44Å; A206-A262 HydrophobicContact CB-CB 4.28Å
207A97.8Very high98Very high65 Ų6535.3 Ų35.354%0.53719%0.193SC..Hα-helixtrans-65.3-45.1177.100000111.8C205 E211C205-A207 PolarHBondContact O-N 2.76Å; C205-A207 VanDerWaalsContact O-N 3.13Å; A207-E211 WeakPolarHBondContact O-CB 3.25Å; A207-E211 PolarHBondContact O-N 3Å
208L98.3Very high98Very high0 Ų034.3 Ų34.30%018%0.183CC..Hα-helixtrans-69.6-43.7177.5-178160.5000111.2S162 T165 C166 A198 H202 C205 K210 E211 A212S162-L208 WeakPolarHBondContact O-CD1 3.28Å; T165-L208 HydrophobicContact CG2-CD1 3.91Å; C166-L208 HydrophobicContact CB-CB 4.32Å; C166-L208 HydrophobicContact CB-CG 4.42Å; A198-L208 HydrophobicContact CB-CD2 4.01Å; A198-L208 WeakPolarHBondContact O-CD2 3.39Å; H202-L208 HydrophobicContact CB-CD1 3.69Å; H202-L208 HydrophobicContact CB-CD2 3.81Å; H202-L208 HydrophobicContact CB-CG 4.24Å; H202-L208 VanDerWaalsContact CD2-CD1 3.46Å; H202-L208 WeakPolarHBondContact CD2-CD1 3.36Å; C205-L208 HydrophobicContact CB-CB 4.11Å; C205-L208 PolarHBondContact O-N 3.27Å; L208-K210 VanDerWaalsContact C-N 3.28Å; L208-K210 PolarHBondContact O-N 3.38Å; L208-E211 PolarHBondContact O-N 3.01Å; L208-E211 VanDerWaalsContact O-N 3.13Å; L208-A212 HydrophobicContact CD2-CB 4.33Å; L208-A212 VanDerWaalsContact O-CB 3.32Å; L208-A212 WeakPolarHBondContact O-CB 3.48Å; L208-A212 PolarHBondContact O-N 3.48Å
209V98.6Very high98Very high0 Ų034.2 Ų34.20%018%0.182CC..Hα-helixtrans-57-45.2176.7168.80000110.8I199 H202 C205 S213 A252 L266I199-V209 HydrophobicContact CG2-CG1 4.29Å; I199-V209 HydrophobicContact CG2-CG2 4.38Å; H202-V209 WeakPolarHBondContact O-CG2 3.33Å; C205-V209 PolarHBondContact O-N 3.27Å; V209-S213 VanDerWaalsContact O-CB 3.25Å; V209-S213 WeakPolarHBondContact O-CB 3.29Å; V209-S213 PolarHBondContact O-N 3.09Å; V209-S213 PolarHBondContact O-OG 3.12Å; V209-A252 HydrophobicContact CG1-CB 3.99Å; V209-L266 HydrophobicContact CG1-CD1 4.02Å; V209-L266 HydrophobicContact CG1-CD2 4.02Å; V209-L266 HydrophobicContact CG1-CG 4.3Å
210K98.6Very high98Very high66 Ų6634.6 Ų34.629%0.28718%0.184SC..Hα-helixtrans-58.6-51.9173.9178.5-171.5170.9-178.10111.2A206 L208 A212 S213 W214 S261 A262 E265A206-K210 VanDerWaalsContact O-CB 3.26Å; A206-K210 WeakPolarHBondContact O-CB 3.46Å; A206-K210 PolarHBondContact O-N 2.8Å; L208-K210 VanDerWaalsContact C-N 3.28Å; L208-K210 PolarHBondContact O-N 3.38Å; K210-A212 PolarHBondContact O-N 3.16Å; K210-S213 PolarHBondContact O-N 3.13Å; K210-W214 WeakPolarHBondContact O-CB 3.34Å; K210-W214 PolarHBondContact O-N 3Å; K210-S261 WeakPolarHBondContact CD-OG 3.47Å; K210-S261 VanDerWaalsContact CE-OG 3.26Å; K210-S261 WeakPolarHBondContact CE-OG 3.34Å; K210-S261 PolarHBondContact NZ-OG 3.31Å; K210-A262 HydrophobicContact CB-CB 4.4Å; K210-E265 HydrophobicContact CG-CB 3.95Å; K210-E265 HydrophobicContact CG-CG 4.15Å; K210-E265 WeakPolarHBondContact O-CG 3.37Å
211E98.8Very high97.9Very high22 Ų2232.6 Ų32.610%0.10317%0.169CC..Hα-helixtrans-63-44-175.3-166.958.4-150.200112.1I169 C170 R173 A207 L208 W214 A215I169-E211 HydrophobicContact CB-CG 4.35Å; I169-E211 HydrophobicContact CG2-CG 3.91Å; C170-E211 VanDerWaalsContact CA-OE1 3.26Å; C170-E211 WeakPolarHBondContact CA-OE1 3.47Å; C170-E211 HydrophobicContact CB-CG 4.32Å; R173-E211 IonicContact CZ-OE1 3.2Å; R173-E211 IonicContact NE-OE1 3.49Å; R173-E211 PolarHBondContact NE-OE1 2.84Å; R173-E211 IonicContact NE-OE2 2.75Å; R173-E211 IonicContact NH2-OE1 3.09Å; R173-E211 PolarHBondContact NH2-OE1 3.49Å; R173-E211 IonicContact NH2-OE2 3.72Å; A207-E211 WeakPolarHBondContact O-CB 3.25Å; A207-E211 PolarHBondContact O-N 3Å; L208-E211 PolarHBondContact O-N 3.01Å; L208-E211 VanDerWaalsContact O-N 3.13Å; E211-W214 PolarHBondContact O-N 3.36Å; E211-A215 PolarHBondContact O-N 3.06Å
212A98.8Very high97.7Very high0 Ų033 Ų330%018%0.18CC..Hα-helixtrans-67.1-39.6177.100000112.6I169 I199 L208 K210 W214 A215 L216I169-A212 HydrophobicContact CD1-CB 3.8Å; I199-A212 HydrophobicContact CD1-CB 4.09Å; I199-A212 HydrophobicContact CG1-CB 3.52Å; L208-A212 HydrophobicContact CD2-CB 4.33Å; L208-A212 VanDerWaalsContact O-CB 3.32Å; L208-A212 WeakPolarHBondContact O-CB 3.48Å; L208-A212 PolarHBondContact O-N 3.48Å; K210-A212 PolarHBondContact O-N 3.16Å; A212-W214 VanDerWaalsContact C-N 3.33Å; A212-A215 PolarHBondContact O-N 3.35Å; A212-L216 WeakPolarHBondContact O-CG 3.36Å; A212-L216 PolarHBondContact O-N 2.83Å
213S98.8Very high97.7Very high0 Ų034.3 Ų34.30%019%0.188CC..Hα-helixtrans-63.7-41.5174.5-57.80000111V209 K210 L216 R217 L266 T269V209-S213 VanDerWaalsContact O-CB 3.25Å; V209-S213 WeakPolarHBondContact O-CB 3.29Å; V209-S213 PolarHBondContact O-N 3.09Å; V209-S213 PolarHBondContact O-OG 3.12Å; K210-S213 PolarHBondContact O-N 3.13Å; S213-L216 WeakPolarHBondContact O-CB 3.44Å; S213-L216 PolarHBondContact O-N 3.27Å; S213-R217 PolarHBondContact O-N 2.85Å; S213-L266 WeakPolarHBondContact OG-CD2 3.39Å; S213-T269 PolarHBondContact O-OG1 2.93Å; S213-T269 VanDerWaalsContact O-OG1 3.13Å
214W98.8Very high97.7Very high74 Ų7432.5 Ų32.528%0.2817%0.174SC..Hα-helixtrans-64.8-43.6175.6-166.6-0.9000112K210 E211 A212 L216 R217 V218 E265K210-W214 WeakPolarHBondContact O-CB 3.34Å; K210-W214 PolarHBondContact O-N 3Å; E211-W214 PolarHBondContact O-N 3.36Å; A212-W214 VanDerWaalsContact C-N 3.33Å; W214-L216 VanDerWaalsContact C-N 3.33Å; W214-L216 PolarHBondContact O-N 3.29Å; W214-R217 PolarHBondContact O-N 3.23Å; W214-V218 WeakPolarHBondContact O-CG2 3.27Å; W214-V218 PolarHBondContact O-N 2.79Å; W214-E265 WeakPolarHBondContact CA-OE1 3.32Å; W214-E265 HydrophobicContact CB-CG 3.85Å; W214-E265 WeakPolarHBondContact CB-OE1 3.42Å
215A98.8Very high97.7Very high0 Ų033 Ų330%018%0.182CC..Hα-helixtrans-58.5-45174.300000111.5I169 R173 L195 E211 A212 R217 V218 M219I169-A215 HydrophobicContact CG2-CB 3.53Å; R173-A215 HydrophobicContact CB-CB 4.33Å; L195-A215 HydrophobicContact CD1-CB 3.88Å; L195-A215 HydrophobicContact CD2-CB 3.81Å; L195-A215 HydrophobicContact CG-CB 4.5Å; E211-A215 PolarHBondContact O-N 3.06Å; A212-A215 PolarHBondContact O-N 3.35Å; A215-R217 VanDerWaalsContact C-N 3.33Å; A215-R217 PolarHBondContact O-N 3.33Å; A215-V218 PolarHBondContact O-N 3.27Å; A215-M219 WeakPolarHBondContact O-CG 3.37Å; A215-M219 PolarHBondContact O-N 3.09Å; A215-M219 VanDerWaalsContact O-N 3.07Å
216L98.8Very high97.5Very high1 Ų137.7 Ų37.71%0.00519%0.194CC..Hα-helixtrans-57.1-45.7174-76.3173000111.9L192 L195 T196 I199 A212 S213 W214 V218 M219 I239 T269L192-L216 HydrophobicContact CD2-CD2 4.2Å; L195-L216 HydrophobicContact CB-CD2 3.7Å; L195-L216 HydrophobicContact CB-CG 3.84Å; L195-L216 HydrophobicContact CD1-CD2 3.86Å; L195-L216 HydrophobicContact CD1-CG 4.1Å; L195-L216 HydrophobicContact CG-CD2 4.44Å; T196-L216 HydrophobicContact CG2-CD1 3.93Å; T196-L216 HydrophobicContact CG2-CD2 4.12Å; I199-L216 HydrophobicContact CD1-CD1 3.61Å; A212-L216 WeakPolarHBondContact O-CG 3.36Å; A212-L216 PolarHBondContact O-N 2.83Å; S213-L216 WeakPolarHBondContact O-CB 3.44Å; S213-L216 PolarHBondContact O-N 3.27Å; W214-L216 VanDerWaalsContact C-N 3.33Å; W214-L216 PolarHBondContact O-N 3.29Å; L216-V218 VanDerWaalsContact C-N 3.34Å; L216-V218 PolarHBondContact O-N 3.3Å; L216-M219 WeakPolarHBondContact O-CB 3.35Å; L216-M219 PolarHBondContact O-N 2.68Å; L216-I239 HydrophobicContact CB-CD1 4.47Å; L216-I239 HydrophobicContact CD2-CD1 4.04Å; L216-I239 HydrophobicContact CD2-CG1 4.06Å; L216-I239 HydrophobicContact CD2-CG2 4.39Å; L216-T269 HydrophobicContact CB-CG2 4.32Å
217R98.6Very high97.3Very high42 Ų4238.5 Ų38.516%0.15820%0.201CC..Hα-helixtrans-63.2-38.8177.8-176.5169.761.4104.1-1.2112.5S213 W214 A215 M219 T220 F221 E265 A268 T269 R272S213-R217 PolarHBondContact O-N 2.85Å; W214-R217 PolarHBondContact O-N 3.23Å; A215-R217 VanDerWaalsContact C-N 3.33Å; A215-R217 PolarHBondContact O-N 3.33Å; R217-M219 VanDerWaalsContact C-N 3.28Å; R217-M219 PolarHBondContact O-N 2.88Å; R217-T220 PolarHBondContact O-N 3.28Å; R217-T220 VanDerWaalsContact O-N 3.1Å; R217-T220 PolarHBondContact O-OG1 2.95Å; R217-F221 HydrophobicContact CG-CE1 3.66Å; R217-F221 HydrophobicContact CG-CZ 4.13Å; R217-F221 WeakPolarHBondContact O-CD1 3.38Å; R217-F221 WeakPolarHBondContact O-CE1 3.3Å; R217-E265 IonicContact CZ-OE1 3.54Å; R217-E265 IonicContact CZ-OE2 3.44Å; R217-E265 IonicContact NE-OE1 2.99Å; R217-E265 PolarHBondContact NE-OE1 3.12Å; R217-E265 IonicContact NE-OE2 2.96Å; R217-E265 VanDerWaalsContact NH2-CD 3.27Å; R217-E265 IonicContact NH2-OE1 3.9Å; R217-E265 PolarHBondContact NH2-OE1 3.15Å; R217-E265 IonicContact NH2-OE2 2.63Å; R217-E265 PolarHBondContact NH2-OE2 3.26Å; R217-A268 WeakPolarHBondContact CD-O 3.35Å; R217-T269 HydrophobicContact CB-CG2 4.17Å; R217-R272 HydrophobicContact CG-CB 4.19Å; R217-R272 HydrophobicContact CG-CG 3.81Å
218V98.6Very high96.9Very high0 Ų041.3 Ų41.30%021%0.211CC..Hα-helixtrans-65.3-33176.2166.60000111.4R173 C176 I177 R183 W214 A215 L216 T220 F221R173-V218 HydrophobicContact CG-CB 4.49Å; R173-V218 HydrophobicContact CG-CG2 3.97Å; C176-V218 HydrophobicContact CB-CG1 3.52Å; I177-V218 HydrophobicContact CG1-CG1 3.96Å; I177-V218 HydrophobicContact CG1-CG2 3.98Å; R183-V218 WeakPolarHBondContact CD-O 3.27Å; W214-V218 WeakPolarHBondContact O-CG2 3.27Å; W214-V218 PolarHBondContact O-N 2.79Å; A215-V218 PolarHBondContact O-N 3.27Å; L216-V218 VanDerWaalsContact C-N 3.34Å; L216-V218 PolarHBondContact O-N 3.3Å; V218-T220 PolarHBondContact O-N 2.91Å; V218-T220 VanDerWaalsContact O-N 3.08Å; V218-F221 HydrophobicContact CG2-CD2 4.17Å; V218-F221 HydrophobicContact CG2-CE2 3.84Å; V218-F221 HydrophobicContact CG2-CZ 4.3Å; V218-F221 WeakPolarHBondContact O-CB 3.46Å; V218-F221 PolarHBondContact O-N 2.85Å; V218-F221 VanDerWaalsContact O-N 3.11Å
219M98.3Very high96.5Very high0 Ų049.5 Ų49.50%025%0.247CC..Hα-helixtrans-60.6-20.2174-60.7-57.3165.700112.7V172 C176 R183 V187 M191 L192 L195 A215 L216 R217 H235V172-M219 HydrophobicContact CG1-CE 3.38Å; C176-M219 HydrophobicContact CB-CE 4.42Å; R183-M219 HydrophobicContact CB-SD 4.32Å; R183-M219 HydrophobicContact CG-SD 4.16Å; V187-M219 HydrophobicContact CG2-SD 4.21Å; M191-M219 HydrophobicContact CG-CE 3.96Å; L192-M219 HydrophobicContact CD2-CB 4.08Å; L192-M219 HydrophobicContact CD2-CG 3.89Å; L195-M219 HydrophobicContact CD1-CE 4.21Å; L195-M219 HydrophobicContact CD1-CG 4.38Å; A215-M219 WeakPolarHBondContact O-CG 3.37Å; A215-M219 PolarHBondContact O-N 3.09Å; A215-M219 VanDerWaalsContact O-N 3.07Å; L216-M219 WeakPolarHBondContact O-CB 3.35Å; L216-M219 PolarHBondContact O-N 2.68Å; R217-M219 VanDerWaalsContact C-N 3.28Å; R217-M219 PolarHBondContact O-N 2.88Å; M219-H235 WeakPolarHBondContact O-CB 3.4Å; M219-H235 PolarHBondContact O-ND1 3.02Å
220T97.8Very high96.1Very high9 Ų950.9 Ų50.96%0.05526%0.262CS..THydrogen-bonded Turntrans-102.317.9179.376.50000113.3R217 V218 A232 A236 I239 L273R217-T220 PolarHBondContact O-N 3.28Å; R217-T220 VanDerWaalsContact O-N 3.1Å; R217-T220 PolarHBondContact O-OG1 2.95Å; V218-T220 PolarHBondContact O-N 2.91Å; V218-T220 VanDerWaalsContact O-N 3.08Å; T220-A232 WeakPolarHBondContact O-CB 3.38Å; T220-A236 HydrophobicContact CG2-CB 3.95Å; T220-I239 HydrophobicContact CG2-CD1 3.71Å; T220-L273 HydrophobicContact CG2-CD2 4.15Å
221F96.8Very high95.9Very high32 Ų3251.8 Ų51.814%0.1427%0.267CS..  trans-86.1150.2179.3-76.43.1000112.9R183 R217 V218 D223R183-F221 PolarHBondContact NH2-O 3.3Å; R217-F221 HydrophobicContact CG-CE1 3.66Å; R217-F221 HydrophobicContact CG-CZ 4.13Å; R217-F221 WeakPolarHBondContact O-CD1 3.38Å; R217-F221 WeakPolarHBondContact O-CE1 3.3Å; V218-F221 HydrophobicContact CG2-CD2 4.17Å; V218-F221 HydrophobicContact CG2-CE2 3.84Å; V218-F221 HydrophobicContact CG2-CZ 4.3Å; V218-F221 WeakPolarHBondContact O-CB 3.46Å; V218-F221 PolarHBondContact O-N 2.85Å; V218-F221 VanDerWaalsContact O-N 3.11Å; F221-D223 HydrophobicContact CB-CB 4.35Å
222D94.6Very high95.7Very high124 Ų12451.6 Ų51.666%0.66327%0.27SS*.  trans-122.968.9171.8-169.624.4000107.9A232D222-A232 HydrophobicContact CB-CB 4.4Å
223D95.8Very high95.6Very high44 Ų4455.4 Ų55.424%0.23529%0.287CS..  trans-127.25.1-166.969.6-17.2000114.1K178 R183 F221K178-D223 WeakPolarHBondContact CA-OD1 3.24Å; K178-D223 HydrophobicContact CG-CB 4.46Å; K178-D223 VanDerWaalsContact N-CG 3.32Å; K178-D223 PolarHBondContact N-OD1 3.07Å; K178-D223 PolarHBondContact N-OD2 2.83Å; R183-D223 IonicContact CZ-OD1 3.39Å; R183-D223 IonicContact NH1-OD1 2.67Å; R183-D223 PolarHBondContact NH1-OD1 3.39Å; R183-D223 IonicContact NH2-OD1 2.99Å; R183-D223 PolarHBondContact NH2-OD1 3.45Å; F221-D223 HydrophobicContact CB-CB 4.35Å
224D96.3Very high95.5Very high15 Ų1559.8 Ų59.88%0.0831%0.308CS..  trans-96.7101.4175.6-170.6-12.9000110.1K178 H179 E180 R226 A227K178-D224 VanDerWaalsContact O-CG 3.23Å; H179-D224 VanDerWaalsContact CA-OD2 3.3Å; H179-D224 WeakPolarHBondContact CA-OD2 3.3Å; E180-D224 HydrophobicContact CB-CB 4.01Å; E180-D224 PolarHBondContact N-OD2 2.91Å; D224-R226 PolarHBondContact O-N 3.09Å; D224-R226 VanDerWaalsContact OD1-CB 3.26Å; D224-R226 WeakPolarHBondContact OD1-CB 3.43Å; D224-R226 WeakPolarHBondContact OD1-CG 3.42Å; D224-R226 IonicContact OD1-CZ 2.83Å; D224-R226 PolarHBondContact OD1-N 3.46Å; D224-R226 IonicContact OD1-NE 3.73Å; D224-R226 PolarHBondContact OD1-NE 2.89Å; D224-R226 IonicContact OD1-NH2 3.8Å; D224-R226 IonicContact OD2-CZ 3.1Å; D224-R226 IonicContact OD2-NE 3.75Å; D224-R226 IonicContact OD2-NH2 2.7Å; D224-R226 PolarHBondContact OD2-NH2 3.26Å; D224-R226 VanDerWaalsContact OD2-NH2 3.1Å; D224-A227 HydrophobicContact CB-CB 4.22Å; D224-A227 PolarHBondContact O-N 3.45Å
225V94.1Very high95.4Very high146 Ų14656.9 Ų56.989%0.88530%0.297SS*.THydrogen-bonded Turntrans-63.3-13.7-179.6-60.10000114
226R94.2Very high95.4Very high134 Ų13456.9 Ų56.951%0.50630%0.297SS..THydrogen-bonded Turntrans-85.8-22.1178.2-53.7167.4-64.8175.67111.7D141 K178 H179 D224D141-R226 IonicContact OD1-CZ 3.14Å; D141-R226 IonicContact OD1-NH1 3.87Å; D141-R226 PolarHBondContact OD1-NH1 3.39Å; D141-R226 IonicContact OD1-NH2 2.68Å; D141-R226 IonicContact OD2-NH1 2.71Å; K178-R226 PolarHBondContact O-NH2 3Å; H179-R226 PolarHBondContact CD2-NH2 3.44Å; D224-R226 PolarHBondContact O-N 3.09Å; D224-R226 VanDerWaalsContact OD1-CB 3.26Å; D224-R226 WeakPolarHBondContact OD1-CB 3.43Å; D224-R226 WeakPolarHBondContact OD1-CG 3.42Å; D224-R226 IonicContact OD1-CZ 2.83Å; D224-R226 PolarHBondContact OD1-N 3.46Å; D224-R226 IonicContact OD1-NE 3.73Å; D224-R226 PolarHBondContact OD1-NE 2.89Å; D224-R226 IonicContact OD1-NH2 3.8Å; D224-R226 IonicContact OD2-CZ 3.1Å; D224-R226 IonicContact OD2-NE 3.75Å; D224-R226 IonicContact OD2-NH2 2.7Å; D224-R226 PolarHBondContact OD2-NH2 3.26Å; D224-R226 VanDerWaalsContact OD2-NH2 3.1Å
227A92.3Very high95.3Very high34 Ų3460.1 Ų60.128%0.28131%0.311SS..  trans-86.1131178.400000110E180 D224E180-A227 HydrophobicContact CB-CB 3.68Å; E180-A227 HydrophobicContact CG-CB 3.98Å; D224-A227 HydrophobicContact CB-CB 4.22Å; D224-A227 PolarHBondContact O-N 3.45Å
228T90.4Very high95.3Very high124 Ų12458.7 Ų58.776%0.76131%0.308SS*.SBendtrans-76-31.4176.748.80000112.5
229F88.8Confident95.3Very high172 Ų17258.7 Ų58.775%0.75431%0.308SS*.SBendtrans-141.6133.3180-54-75.5000109.7
230G89.8Confident95.3Very high30 Ų3059.2 Ų59.231%0.30931%0.311SS..  trans-104.7161.117300000113.2E180E180-G230 WeakPolarHBondContact OE1-CA 3.47Å
231H94.8Very high95.4Very high84 Ų8463.2 Ų63.239%0.38933%0.331SS..  trans-100.920.7175.5-78.1-101000113.8E180 Q184 H233 E234 H235E180-H231 IonicContact OE1-CD2 2.89Å; E180-H231 PolarHBondContact OE1-N 3.49Å; Q184-H231 PolarHBondContact NE2-CD2 2.9Å; H231-H233 VanDerWaalsContact C-N 3.29Å; H231-H233 PolarHBondContact O-N 2.75Å; H231-H233 VanDerWaalsContact O-N 3.16Å; H231-E234 PolarHBondContact O-N 3.09Å; H231-H235 PolarHBondContact O-N 2.78Å
232A95.1Very high95.4Very high19 Ų1967.8 Ų67.816%0.15735%0.353CS..Hα-helixtrans-49.2-45.2-176.700000113.8T220 D222 A236T220-A232 WeakPolarHBondContact O-CB 3.38Å; D222-A232 HydrophobicContact CB-CB 4.4Å; A232-A236 WeakPolarHBondContact O-CB 3.43Å; A232-A236 PolarHBondContact O-N 3.25Å
233H95.4Very high95.6Very high79 Ų7963.7 Ų63.737%0.36633%0.33SS..Hα-helixtrans-70.1-39.2179.9-169.875000113H231 A236 K237 R276H231-H233 VanDerWaalsContact C-N 3.29Å; H231-H233 PolarHBondContact O-N 2.75Å; H231-H233 VanDerWaalsContact O-N 3.16Å; H233-A236 PolarHBondContact O-N 3.1Å; H233-K237 WeakPolarHBondContact O-CB 3.25Å; H233-K237 PolarHBondContact O-N 3.1Å; H233-R276 PolarHBondContact CD2-NH2 3.38Å; H233-R276 PolarHBondContact CE1-NE 3.18Å; H233-R276 PolarHBondContact NE2-NE 3.49Å; H233-R276 PolarHBondContact NE2-NH2 2.83Å
234E96.8Very high95.7Very high93 Ų9366.7 Ų66.744%0.43535%0.346SS..Hα-helixtrans-68.9-39.7177.5-65.5-53.5132.800111.2H231 K237 S238H231-E234 PolarHBondContact O-N 3.09Å; E234-K237 WeakPolarHBondContact O-CB 3.37Å; E234-K237 PolarHBondContact O-N 3.08Å; E234-S238 PolarHBondContact O-N 3.46Å
235H97.8Very high95.8Very high12 Ų1266 Ų666%0.05634%0.342CS..Hα-helixtrans-63.4-44.3173.9-65.2173.5000111.4M219 H231 K237 S238 I239M219-H235 WeakPolarHBondContact O-CB 3.4Å; M219-H235 PolarHBondContact O-ND1 3.02Å; H231-H235 PolarHBondContact O-N 2.78Å; H235-K237 VanDerWaalsContact C-N 3.3Å; H235-K237 PolarHBondContact O-N 3.37Å; H235-S238 PolarHBondContact O-N 2.77Å; H235-I239 VanDerWaalsContact O-CG1 3.24Å; H235-I239 WeakPolarHBondContact O-CG1 3.36Å; H235-I239 PolarHBondContact O-N 3.04Å
236A98.1Very high96Very high1 Ų159.2 Ų59.21%0.00830%0.301CS..Hα-helixtrans-58.3-43.5174.700000111.5T220 A232 H233 I239 V240 L273 V275T220-A236 HydrophobicContact CG2-CB 3.95Å; A232-A236 WeakPolarHBondContact O-CB 3.43Å; A232-A236 PolarHBondContact O-N 3.25Å; H233-A236 PolarHBondContact O-N 3.1Å; A236-I239 PolarHBondContact O-N 3.17Å; A236-V240 WeakPolarHBondContact O-CG2 3.46Å; A236-V240 PolarHBondContact O-N 3.43Å; A236-V240 VanDerWaalsContact O-N 3.09Å; A236-L273 HydrophobicContact CB-CD2 4.04Å; A236-V275 HydrophobicContact CB-CG2 4.05Å
237K98.1Very high96.2Very high68 Ų6857.7 Ų57.730%0.29630%0.298SS..Hα-helixtrans-61.2-46.9175.8-177.8-166.6175.1-1670112.1H233 E234 H235 V240 L241 F279H233-K237 WeakPolarHBondContact O-CB 3.25Å; H233-K237 PolarHBondContact O-N 3.1Å; E234-K237 WeakPolarHBondContact O-CB 3.37Å; E234-K237 PolarHBondContact O-N 3.08Å; H235-K237 VanDerWaalsContact C-N 3.3Å; H235-K237 PolarHBondContact O-N 3.37Å; K237-V240 PolarHBondContact O-N 3.2Å; K237-L241 HydrophobicContact CD-CD1 4.19Å; K237-L241 HydrophobicContact CG-CD1 3.52Å; K237-L241 HydrophobicContact CG-CG 4.17Å; K237-L241 WeakPolarHBondContact O-CB 3.47Å; K237-L241 WeakPolarHBondContact O-CG 3.24Å; K237-L241 PolarHBondContact O-N 3.22Å; K237-F279 HydrophobicContact CG-CZ 4.35Å
238S98.2Very high96.5Very high13 Ų1357.3 Ų57.39%0.09129%0.291CS..Hα-helixtrans-62.7-44.6178.5173.90000111.3L192 E234 H235 V240 E242 H243L192-S238 WeakPolarHBondContact CD1-OG 3.5Å; E234-S238 PolarHBondContact O-N 3.46Å; H235-S238 PolarHBondContact O-N 2.77Å; S238-V240 VanDerWaalsContact C-N 3.29Å; S238-V240 PolarHBondContact O-N 3.33Å; S238-E242 WeakPolarHBondContact CB-OE2 3.3Å; S238-E242 WeakPolarHBondContact O-CA 3.4Å; S238-E242 VanDerWaalsContact O-CB 3.32Å; S238-E242 WeakPolarHBondContact O-CB 3.44Å; S238-E242 PolarHBondContact O-N 2.98Å; S238-E242 PolarHBondContact OG-OE2 2.94Å; S238-H243 PolarHBondContact O-N 3.35Å
239I98.7Very high96.9Very high0 Ų051.4 Ų51.40%026%0.255CS..Hα-helixtrans-54.8-45.9174.8-67.8165.8000111.2L192 L216 T220 H235 A236 H243 N244 G245 L273L192-I239 HydrophobicContact CD1-CG1 3.98Å; L192-I239 HydrophobicContact CD2-CD1 4.09Å; L192-I239 HydrophobicContact CD2-CG1 3.82Å; L192-I239 HydrophobicContact CG-CG1 4.38Å; L216-I239 HydrophobicContact CB-CD1 4.47Å; L216-I239 HydrophobicContact CD2-CD1 4.04Å; L216-I239 HydrophobicContact CD2-CG1 4.06Å; L216-I239 HydrophobicContact CD2-CG2 4.39Å; T220-I239 HydrophobicContact CG2-CD1 3.71Å; H235-I239 VanDerWaalsContact O-CG1 3.24Å; H235-I239 WeakPolarHBondContact O-CG1 3.36Å; H235-I239 PolarHBondContact O-N 3.04Å; A236-I239 PolarHBondContact O-N 3.17Å; I239-H243 CarbonylContact O-C 3.6Å; I239-N244 PolarHBondContact O-N 3.32Å; I239-G245 WeakPolarHBondContact O-CA 3.32Å; I239-G245 PolarHBondContact O-N 3.32Å; I239-L273 HydrophobicContact CB-CD2 4.09Å; I239-L273 HydrophobicContact CD1-CD2 4.11Å; I239-L273 HydrophobicContact CG2-CD1 3.72Å; I239-L273 HydrophobicContact CG2-CD2 3.9Å; I239-L273 HydrophobicContact CG2-CG 4.49Å
240V98.4Very high97.3Very high10 Ų1043.4 Ų43.46%0.06122%0.22CC..Hα-helixtrans-73.1-55-177.9175.80000111.9A236 K237 S238 N244 L246 L273 F279A236-V240 WeakPolarHBondContact O-CG2 3.46Å; A236-V240 PolarHBondContact O-N 3.43Å; A236-V240 VanDerWaalsContact O-N 3.09Å; K237-V240 PolarHBondContact O-N 3.2Å; S238-V240 VanDerWaalsContact C-N 3.29Å; S238-V240 PolarHBondContact O-N 3.33Å; V240-N244 PolarHBondContact O-N 3.34Å; V240-L246 HydrophobicContact CB-CG 4.42Å; V240-L246 HydrophobicContact CG1-CD1 3.61Å; V240-L246 HydrophobicContact CG1-CG 3.87Å; V240-L246 HydrophobicContact CG2-CD1 4.24Å; V240-L246 HydrophobicContact CG2-CD2 4.02Å; V240-L246 HydrophobicContact CG2-CG 3.88Å; V240-L273 HydrophobicContact CG2-CB 4.01Å; V240-L273 HydrophobicContact CG2-CD1 4.35Å; V240-L273 HydrophobicContact CG2-CD2 4.35Å; V240-L273 HydrophobicContact CG2-CG 4.46Å; V240-F279 HydrophobicContact CB-CD1 4.45Å; V240-F279 HydrophobicContact CB-CD2 4.38Å; V240-F279 HydrophobicContact CB-CE1 4.2Å; V240-F279 HydrophobicContact CB-CE2 4.1Å; V240-F279 HydrophobicContact CB-CZ 4Å; V240-F279 HydrophobicContact CG1-CD1 3.62Å; V240-F279 HydrophobicContact CG1-CD2 4.32Å; V240-F279 HydrophobicContact CG1-CE1 3.61Å; V240-F279 HydrophobicContact CG1-CE2 4.29Å; V240-F279 HydrophobicContact CG1-CG 4Å; V240-F279 HydrophobicContact CG1-CZ 3.94Å; V240-F279 HydrophobicContact CG2-CD2 4.06Å; V240-F279 HydrophobicContact CG2-CE2 4.11Å; V240-F279 HydrophobicContact CG2-CG 4.4Å
241L98.1Very high97.7Very high93 Ų9346.5 Ų46.549%0.48723%0.227SC..Hα-helixtrans-83.3-37.2-168.1-64.5-177.9000113.8K237 F279K237-L241 HydrophobicContact CD-CD1 4.19Å; K237-L241 HydrophobicContact CG-CD1 3.52Å; K237-L241 HydrophobicContact CG-CG 4.17Å; K237-L241 WeakPolarHBondContact O-CB 3.47Å; K237-L241 WeakPolarHBondContact O-CG 3.24Å; K237-L241 PolarHBondContact O-N 3.22Å; L241-F279 HydrophobicContact CD1-CZ 4.36Å; L241-F279 HydrophobicContact CD2-CE1 3.78Å; L241-F279 HydrophobicContact CD2-CZ 4.26Å; L241-F279 HydrophobicContact CG-CE1 4.07Å; L241-F279 HydrophobicContact CG-CZ 4.03Å
242E98.1Very high97.8Very high129 Ų12942.7 Ų42.760%0.60321%0.21SC*.THydrogen-bonded Turntrans-97-23.5-173.2-60.3168-171.400111.7S238S238-E242 WeakPolarHBondContact CB-OE2 3.3Å; S238-E242 WeakPolarHBondContact O-CA 3.4Å; S238-E242 VanDerWaalsContact O-CB 3.32Å; S238-E242 WeakPolarHBondContact O-CB 3.44Å; S238-E242 PolarHBondContact O-N 2.98Å; S238-E242 PolarHBondContact OG-OE2 2.94Å
243H98.1Very high97.8Very high38 Ų3841.9 Ų41.918%0.17620%0.203CC..THydrogen-bonded Turntrans-124.611.9-172.9-54.9-46.3000114.4L192 T196 S238 I239 G245 I248L192-H243 WeakPolarHBondContact CB-CD2 3.4Å; T196-H243 HydrophobicContact CG2-CB 3.98Å; S238-H243 PolarHBondContact O-N 3.35Å; I239-H243 CarbonylContact O-C 3.6Å; H243-G245 PolarHBondContact O-N 2.86Å; H243-G245 VanDerWaalsContact O-N 3.08Å; H243-I248 WeakPolarHBondContact O-CD1 3.47Å
244N97.9Very high97.7Very high106 Ų10642.4 Ų42.457%0.56721%0.205SC*.  trans52.231.4176.4-61.8-53.7000113.9I239 V240 L246 K247 I248I239-N244 PolarHBondContact O-N 3.32Å; V240-N244 PolarHBondContact O-N 3.34Å; N244-L246 VanDerWaalsContact C-N 3.29Å; N244-L246 PolarHBondContact O-N 2.89Å; N244-K247 PolarHBondContact O-N 3.02Å; N244-I248 HydrophobicContact CB-CD1 4.43Å; N244-I248 PolarHBondContact O-N 3.11Å
245G98.3Very high97.6Very high0 Ų041 Ų410%021%0.209CC..Hα-helixtrans-57.4-38.3-168.100000113.7I239 H243 I248 L249I239-G245 WeakPolarHBondContact O-CA 3.32Å; I239-G245 PolarHBondContact O-N 3.32Å; H243-G245 PolarHBondContact O-N 2.86Å; H243-G245 VanDerWaalsContact O-N 3.08Å; G245-I248 PolarHBondContact O-N 3.21Å; G245-L249 WeakPolarHBondContact O-CB 3.24Å; G245-L249 WeakPolarHBondContact O-CD1 3.39Å; G245-L249 WeakPolarHBondContact O-CG 3.38Å; G245-L249 PolarHBondContact O-N 3.45Å
246L98.4Very high97.3Very high5 Ų541.1 Ų41.13%0.02621%0.21CC..Hα-helixtrans-61.2-48.8179.2-60.8179.6000112.1V240 N244 L249 I250 L270 L273 F279 D282 I283 L286V240-L246 HydrophobicContact CB-CG 4.42Å; V240-L246 HydrophobicContact CG1-CD1 3.61Å; V240-L246 HydrophobicContact CG1-CG 3.87Å; V240-L246 HydrophobicContact CG2-CD1 4.24Å; V240-L246 HydrophobicContact CG2-CD2 4.02Å; V240-L246 HydrophobicContact CG2-CG 3.88Å; N244-L246 VanDerWaalsContact C-N 3.29Å; N244-L246 PolarHBondContact O-N 2.89Å; L246-L249 PolarHBondContact O-N 3.45Å; L246-I250 WeakPolarHBondContact O-CB 3.47Å; L246-I250 WeakPolarHBondContact O-CD1 3.2Å; L246-I250 VanDerWaalsContact O-CG1 3.27Å; L246-I250 WeakPolarHBondContact O-CG1 3.37Å; L246-I250 PolarHBondContact O-N 2.69Å; L246-L270 HydrophobicContact CD2-CD2 4Å; L246-L273 HydrophobicContact CD2-CB 3.79Å; L246-L273 HydrophobicContact CD2-CD1 4.06Å; L246-F279 HydrophobicContact CD1-CB 4.25Å; L246-D282 HydrophobicContact CD1-CB 3.81Å; L246-I283 HydrophobicContact CD1-CG1 4.02Å; L246-I283 HydrophobicContact CD2-CD1 3.96Å; L246-I283 HydrophobicContact CD2-CG1 3.83Å; L246-I283 HydrophobicContact CG-CG1 4.35Å; L246-L286 HydrophobicContact CB-CD1 3.81Å
247K98.5Very high97Very high102 Ų10246.1 Ų46.144%0.44324%0.236SC..Hα-helixtrans-61.7-48.1-179.8179.8176.7174.6-179.30110.8N244 L249 I250 E251 L286N244-K247 PolarHBondContact O-N 3.02Å; K247-L249 PolarHBondContact O-N 3.3Å; K247-I250 PolarHBondContact O-N 3.45Å; K247-E251 WeakPolarHBondContact CE-OE1 3.25Å; K247-E251 HydrophobicContact CG-CG 4.44Å; K247-E251 IonicContact NZ-OE1 3.43Å; K247-E251 WeakPolarHBondContact O-CB 3.44Å; K247-E251 WeakPolarHBondContact O-CG 3.31Å; K247-E251 PolarHBondContact O-N 2.82Å; K247-L286 HydrophobicContact CB-CD1 4.09Å; K247-L286 HydrophobicContact CB-CD2 4.06Å; K247-L286 HydrophobicContact CD-CD2 4.46Å; K247-L286 HydrophobicContact CG-CD2 4.12Å
248I98.6Very high96.6Very high25 Ų2548.5 Ų48.513%0.12826%0.261CS..Hα-helixtrans-60.1-45.3-179.8-67.7171000111.1T196 I199 H243 N244 G245 A252T196-I248 HydrophobicContact CG2-CD1 4.4Å; I199-I248 HydrophobicContact CB-CG2 3.85Å; I199-I248 HydrophobicContact CG2-CG2 3.56Å; H243-I248 WeakPolarHBondContact O-CD1 3.47Å; N244-I248 HydrophobicContact CB-CD1 4.43Å; N244-I248 PolarHBondContact O-N 3.11Å; G245-I248 PolarHBondContact O-N 3.21Å; I248-A252 VanDerWaalsContact O-CB 3.28Å; I248-A252 WeakPolarHBondContact O-CB 3.24Å; I248-A252 PolarHBondContact O-N 3.44Å
249L98.5Very high96.4Very high0 Ų050.6 Ų50.60%027%0.271CS..Hα-helixtrans-66.8-38-179.9-68.6166.1000112.2I199 G245 L246 K247 A253 L266 T269 L270 L273I199-L249 HydrophobicContact CD1-CD2 3.98Å; G245-L249 WeakPolarHBondContact O-CB 3.24Å; G245-L249 WeakPolarHBondContact O-CD1 3.39Å; G245-L249 WeakPolarHBondContact O-CG 3.38Å; G245-L249 PolarHBondContact O-N 3.45Å; L246-L249 PolarHBondContact O-N 3.45Å; K247-L249 PolarHBondContact O-N 3.3Å; L249-A253 WeakPolarHBondContact O-CB 3.41Å; L249-A253 PolarHBondContact O-N 3.32Å; L249-L266 HydrophobicContact CB-CD2 4.32Å; L249-L266 HydrophobicContact CD2-CD2 3.56Å; L249-T269 HydrophobicContact CD1-CG2 3.64Å; L249-T269 HydrophobicContact CD2-CG2 4.06Å; L249-L270 HydrophobicContact CB-CD2 3.87Å; L249-L270 HydrophobicContact CB-CG 4.16Å; L249-L270 HydrophobicContact CD1-CD2 4.07Å; L249-L270 HydrophobicContact CD1-CG 4.41Å; L249-L273 HydrophobicContact CD1-CD1 3.52Å
250I97.9Very high96.2Very high5 Ų553.6 Ų53.63%0.02629%0.29CS..Hα-helixtrans-69.1-45.2177.9-69.2166.1000110.8L246 K247 A252 A253 Q254 L270 I283 L286L246-I250 WeakPolarHBondContact O-CB 3.47Å; L246-I250 WeakPolarHBondContact O-CD1 3.2Å; L246-I250 VanDerWaalsContact O-CG1 3.27Å; L246-I250 WeakPolarHBondContact O-CG1 3.37Å; L246-I250 PolarHBondContact O-N 2.69Å; K247-I250 PolarHBondContact O-N 3.45Å; I250-A252 VanDerWaalsContact C-N 3.34Å; I250-A252 PolarHBondContact O-N 3.22Å; I250-A253 PolarHBondContact O-N 3.38Å; I250-Q254 WeakPolarHBondContact O-CG 3.4Å; I250-Q254 PolarHBondContact O-N 3.14Å; I250-L270 HydrophobicContact CG1-CD1 4.09Å; I250-L270 HydrophobicContact CG1-CD2 4.13Å; I250-I283 HydrophobicContact CD1-CG2 4.26Å; I250-L286 HydrophobicContact CD1-CB 3.53Å; I250-L286 HydrophobicContact CD1-CD1 4.02Å; I250-L286 HydrophobicContact CD1-CG 4.44Å
251E97.4Very high96Very high95 Ų9555.4 Ų55.444%0.44430%0.303SS..Hα-helixtrans-61.1-43.2175.9-72.9175.2171.800111.2K247 A253 Q254 A255K247-E251 WeakPolarHBondContact CE-OE1 3.25Å; K247-E251 HydrophobicContact CG-CG 4.44Å; K247-E251 IonicContact NZ-OE1 3.43Å; K247-E251 WeakPolarHBondContact O-CB 3.44Å; K247-E251 WeakPolarHBondContact O-CG 3.31Å; K247-E251 PolarHBondContact O-N 2.82Å; E251-A253 VanDerWaalsContact C-N 3.33Å; E251-A253 PolarHBondContact O-N 3.02Å; E251-Q254 PolarHBondContact O-N 3.49Å; E251-A255 PolarHBondContact O-N 3.45Å
252A97.4Very high96Very high4 Ų451 Ų513%0.03328%0.28CS..Hα-helixtrans-63-37.9175.200000112.5I199 V209 I248 I250 A255 H256 L266I199-A252 HydrophobicContact CG2-CB 3.65Å; V209-A252 HydrophobicContact CG1-CB 3.99Å; I248-A252 VanDerWaalsContact O-CB 3.28Å; I248-A252 WeakPolarHBondContact O-CB 3.24Å; I248-A252 PolarHBondContact O-N 3.44Å; I250-A252 VanDerWaalsContact C-N 3.34Å; I250-A252 PolarHBondContact O-N 3.22Å; A252-A255 PolarHBondContact O-N 2.93Å; A252-H256 PolarHBondContact O-CD2 3.15Å; A252-H256 PolarHBondContact O-N 2.98Å; A252-L266 HydrophobicContact CB-CD1 4.4Å; A252-L266 HydrophobicContact CB-CD2 4.15Å
253A95.4Very high95.9Very high1 Ų144.9 Ų44.91%0.00825%0.251CS..Hα-helixtrans-66.5-39.6176.500000111.7L249 I250 E251 A255 H256 L263 L266 F291L249-A253 WeakPolarHBondContact O-CB 3.41Å; L249-A253 PolarHBondContact O-N 3.32Å; I250-A253 PolarHBondContact O-N 3.38Å; E251-A253 VanDerWaalsContact C-N 3.33Å; E251-A253 PolarHBondContact O-N 3.02Å; A253-A255 VanDerWaalsContact C-N 3.27Å; A253-A255 PolarHBondContact O-N 3.28Å; A253-H256 PolarHBondContact O-N 2.87Å; A253-L263 HydrophobicContact CB-CD2 4.14Å; A253-L263 WeakPolarHBondContact O-CD2 3.29Å; A253-L266 HydrophobicContact CB-CB 4.34Å; A253-L266 HydrophobicContact CB-CD1 3.88Å; A253-F291 HydrophobicContact CB-CD1 4.29Å; A253-F291 HydrophobicContact CB-CE1 3.44Å; A253-F291 VanDerWaalsContact CB-CE1 3.44Å; A253-F291 HydrophobicContact CB-CZ 3.57Å; A253-F291 WeakPolarHBondContact O-CZ 3.43Å
254Q93.5Very high95.8Very high91 Ų9143.5 Ų43.543%0.42525%0.246SC..Hα-helixtrans-65.8-28.6175.3-69.6171.3-1.500112.7I250 E251 L257 F291I250-Q254 WeakPolarHBondContact O-CG 3.4Å; I250-Q254 PolarHBondContact O-N 3.14Å; E251-Q254 PolarHBondContact O-N 3.49Å; Q254-L257 WeakPolarHBondContact O-CG 3.32Å; Q254-F291 HydrophobicContact CG-CD2 3.89Å; Q254-F291 HydrophobicContact CG-CE2 4.13Å; Q254-F291 HydrophobicContact CG-CG 4.5Å
255A94.1Very high95.9Very high62 Ų6239.3 Ų39.351%0.51222%0.223SC..Hα-helixtrans-77.7-17.5176.200000114.1E251 A252 A253E251-A255 PolarHBondContact O-N 3.45Å; A252-A255 PolarHBondContact O-N 2.93Å; A253-A255 VanDerWaalsContact C-N 3.27Å; A253-A255 PolarHBondContact O-N 3.28Å
256H91.8Very high95.9Very high15 Ų1539.3 Ų39.37%0.06922%0.223CC..THydrogen-bonded Turntrans-120.240.1-171.5-70.6-50.2000114.5S203 A252 A253 S258 N259 L263S203-H256 PolarHBondContact O-CE1 2.7Å; S203-H256 PolarHBondContact O-NE2 3.33Å; A252-H256 PolarHBondContact O-CD2 3.15Å; A252-H256 PolarHBondContact O-N 2.98Å; A253-H256 PolarHBondContact O-N 2.87Å; H256-S258 PolarHBondContact O-N 3.36Å; H256-N259 HydrophobicContact CB-CB 4.41Å; H256-N259 PolarHBondContact O-N 3.1Å; H256-L263 WeakPolarHBondContact O-CD1 3.49Å; H256-L263 WeakPolarHBondContact O-CG 3.47Å
257L90.7Very high95.8Very high107 Ų10739.1 Ų39.156%0.5622%0.222SC*.THydrogen-bonded Turntrans-53.6-29.5-175.1-58.7-178.2000115.2Q254 L263 F291Q254-L257 WeakPolarHBondContact O-CG 3.32Å; L257-L263 WeakPolarHBondContact O-CD1 3.38Å; L257-F291 HydrophobicContact CD2-CD2 4.49Å; L257-F291 HydrophobicContact CD2-CE2 3.52Å; L257-F291 HydrophobicContact CD2-CZ 4.25Å
258S90.2Very high95.8Very high117 Ų11734.5 Ų34.582%0.81820%0.203SC*.THydrogen-bonded Turntrans-93.8-10.6-178.957.30000114.2H256 T260H256-S258 PolarHBondContact O-N 3.36Å; S258-T260 PolarHBondContact O-N 2.95Å
259N94.3Very high95.8Very high57 Ų5733.4 Ų33.431%0.30520%0.197SC..  trans-98.689.3-176.4-165.5-52.4000111.2A206 H256 S261 A262 L263A206-N259 HydrophobicContact CB-CB 4.16Å; A206-N259 WeakPolarHBondContact CB-ND2 3.44Å; H256-N259 HydrophobicContact CB-CB 4.41Å; H256-N259 PolarHBondContact O-N 3.1Å; N259-S261 PolarHBondContact O-N 3.38Å; N259-S261 VanDerWaalsContact O-N 3.17Å; N259-S261 PolarHBondContact OD1-N 2.93Å; N259-A262 HydrophobicContact CB-CB 4.13Å; N259-A262 PolarHBondContact O-N 3.16Å; N259-A262 PolarHBondContact OD1-N 2.63Å; N259-L263 VanDerWaalsContact O-CG 3.3Å; N259-L263 WeakPolarHBondContact O-CG 3.39Å; N259-L263 PolarHBondContact O-N 2.96Å
260T94.3Very high95.8Very high64 Ų6433.5 Ų33.539%0.39320%0.198SC..Hα-helixtrans-57-33.1-17856.80000113.4S258 S264 L305S258-T260 PolarHBondContact O-N 2.95Å; T260-S264 VanDerWaalsContact O-CB 3.25Å; T260-S264 WeakPolarHBondContact O-CB 3.48Å; T260-S264 PolarHBondContact O-N 3.37Å; T260-S264 PolarHBondContact O-OG 3.49Å; T260-L305 HydrophobicContact CG2-CD2 4.12Å
261S95.1Very high95.8Very high48 Ų4833.9 Ų33.934%0.33620%0.201SC..Hα-helixtrans-71.7-42.8179.7-171.60000112.3K210 N259 E265K210-S261 WeakPolarHBondContact CD-OG 3.47Å; K210-S261 VanDerWaalsContact CE-OG 3.26Å; K210-S261 WeakPolarHBondContact CE-OG 3.34Å; K210-S261 PolarHBondContact NZ-OG 3.31Å; N259-S261 PolarHBondContact O-N 3.38Å; N259-S261 VanDerWaalsContact O-N 3.17Å; N259-S261 PolarHBondContact OD1-N 2.93Å; S261-E265 PolarHBondContact O-N 3.29Å
262A96.6Very high95.8Very high0 Ų035.1 Ų35.10%020%0.202CC..Hα-helixtrans-66-45.8174.900000110.8A206 K210 N259 S264 E265 L266A206-A262 HydrophobicContact CB-CB 4.28Å; K210-A262 HydrophobicContact CB-CB 4.4Å; N259-A262 HydrophobicContact CB-CB 4.13Å; N259-A262 PolarHBondContact O-N 3.16Å; N259-A262 PolarHBondContact OD1-N 2.63Å; A262-S264 VanDerWaalsContact C-N 3.31Å; A262-S264 PolarHBondContact O-N 2.68Å; A262-E265 PolarHBondContact O-N 2.81Å; A262-L266 WeakPolarHBondContact O-CB 3.32Å; A262-L266 VanDerWaalsContact O-CG 3.27Å; A262-L266 WeakPolarHBondContact O-CG 3.23Å; A262-L266 PolarHBondContact O-N 3.41Å
263L96.9Very high95.8Very high0 Ų035 Ų350%020%0.2CC..Hα-helixtrans-59-41.1177.2-69.2174.5000112.8A253 H256 L257 N259 E265 L266 C267 F291 L295 L305A253-L263 HydrophobicContact CB-CD2 4.14Å; A253-L263 WeakPolarHBondContact O-CD2 3.29Å; H256-L263 WeakPolarHBondContact O-CD1 3.49Å; H256-L263 WeakPolarHBondContact O-CG 3.47Å; L257-L263 WeakPolarHBondContact O-CD1 3.38Å; N259-L263 VanDerWaalsContact O-CG 3.3Å; N259-L263 WeakPolarHBondContact O-CG 3.39Å; N259-L263 PolarHBondContact O-N 2.96Å; L263-E265 VanDerWaalsContact C-N 3.34Å; L263-E265 PolarHBondContact O-N 3.31Å; L263-L266 PolarHBondContact O-N 3.39Å; L263-C267 WeakPolarHBondContact O-CB 3.15Å; L263-C267 PolarHBondContact O-N 2.83Å; L263-C267 PolarHBondContact O-SG 3.22Å; L263-F291 HydrophobicContact CD2-CE1 4.29Å; L263-F291 HydrophobicContact CD2-CZ 3.71Å; L263-L295 HydrophobicContact CD1-CD2 3.8Å; L263-L295 HydrophobicContact CD2-CD1 4.32Å; L263-L305 HydrophobicContact CB-CD1 3.67Å; L263-L305 HydrophobicContact CB-CD2 4.49Å; L263-L305 HydrophobicContact CD1-CD2 4.26Å
264S96.8Very high95.8Very high10 Ų1035.6 Ų35.67%0.0721%0.205CC..Hα-helixtrans-60.2-44.5177.2-66.10000111.6T260 A262 A268 L305T260-S264 VanDerWaalsContact O-CB 3.25Å; T260-S264 WeakPolarHBondContact O-CB 3.48Å; T260-S264 PolarHBondContact O-N 3.37Å; T260-S264 PolarHBondContact O-OG 3.49Å; A262-S264 VanDerWaalsContact C-N 3.31Å; A262-S264 PolarHBondContact O-N 2.68Å; S264-A268 WeakPolarHBondContact O-CB 3.32Å; S264-A268 PolarHBondContact O-N 3.47Å; S264-L305 WeakPolarHBondContact OG-CA 3.42Å
265E98.1Very high95.8Very high17 Ų1734.4 Ų34.48%0.07920%0.204CC..Hα-helixtrans-73.9-37.8-179.8-170.856.1-138.800112.4K210 W214 R217 S261 A262 L263 A268 T269K210-E265 HydrophobicContact CG-CB 3.95Å; K210-E265 HydrophobicContact CG-CG 4.15Å; K210-E265 WeakPolarHBondContact O-CG 3.37Å; W214-E265 WeakPolarHBondContact CA-OE1 3.32Å; W214-E265 HydrophobicContact CB-CG 3.85Å; W214-E265 WeakPolarHBondContact CB-OE1 3.42Å; R217-E265 IonicContact CZ-OE1 3.54Å; R217-E265 IonicContact CZ-OE2 3.44Å; R217-E265 IonicContact NE-OE1 2.99Å; R217-E265 PolarHBondContact NE-OE1 3.12Å; R217-E265 IonicContact NE-OE2 2.96Å; R217-E265 VanDerWaalsContact NH2-CD 3.27Å; R217-E265 IonicContact NH2-OE1 3.9Å; R217-E265 PolarHBondContact NH2-OE1 3.15Å; R217-E265 IonicContact NH2-OE2 2.63Å; R217-E265 PolarHBondContact NH2-OE2 3.26Å; S261-E265 PolarHBondContact O-N 3.29Å; A262-E265 PolarHBondContact O-N 2.81Å; L263-E265 VanDerWaalsContact C-N 3.34Å; L263-E265 PolarHBondContact O-N 3.31Å; E265-A268 PolarHBondContact O-N 3.08Å; E265-T269 WeakPolarHBondContact O-CB 3.24Å; E265-T269 PolarHBondContact O-N 3.15Å; E265-T269 PolarHBondContact O-OG1 3.04Å
266L98.3Very high95.9Very high1 Ų134.8 Ų34.81%0.00519%0.192CC..Hα-helixtrans-61-46.1173.5-72.8164.2000111.2V209 S213 L249 A252 A253 A262 L263 T269 L270V209-L266 HydrophobicContact CG1-CD1 4.02Å; V209-L266 HydrophobicContact CG1-CD2 4.02Å; V209-L266 HydrophobicContact CG1-CG 4.3Å; S213-L266 WeakPolarHBondContact OG-CD2 3.39Å; L249-L266 HydrophobicContact CB-CD2 4.32Å; L249-L266 HydrophobicContact CD2-CD2 3.56Å; A252-L266 HydrophobicContact CB-CD1 4.4Å; A252-L266 HydrophobicContact CB-CD2 4.15Å; A253-L266 HydrophobicContact CB-CB 4.34Å; A253-L266 HydrophobicContact CB-CD1 3.88Å; A262-L266 WeakPolarHBondContact O-CB 3.32Å; A262-L266 VanDerWaalsContact O-CG 3.27Å; A262-L266 WeakPolarHBondContact O-CG 3.23Å; A262-L266 PolarHBondContact O-N 3.41Å; L263-L266 PolarHBondContact O-N 3.39Å; L266-T269 PolarHBondContact O-N 3.21Å; L266-L270 WeakPolarHBondContact O-CG 3.42Å; L266-L270 PolarHBondContact O-N 3.39Å
267C98.1Very high96.1Very high1 Ų139 Ų391%0.00722%0.215CC..Hα-helixtrans-61.7-45.6174.3-68.80000111.3L263 T269 L270 S271 Q308 A312L263-C267 WeakPolarHBondContact O-CB 3.15Å; L263-C267 PolarHBondContact O-N 2.83Å; L263-C267 PolarHBondContact O-SG 3.22Å; C267-T269 VanDerWaalsContact C-N 3.25Å; C267-T269 PolarHBondContact O-N 3.22Å; C267-L270 PolarHBondContact O-N 3.04Å; C267-S271 PolarHBondContact O-N 3.46Å; C267-S271 PolarHBondContact O-OG 3.15Å; C267-Q308 HydrophobicContact CB-CB 4.09Å; C267-A312 HydrophobicContact CB-CB 4.27Å
268A98.1Very high96.4Very high5 Ų540.3 Ų40.34%0.04122%0.218CC..Hα-helixtrans-59.5-37.517700000112.5R217 S264 E265 R272R217-A268 WeakPolarHBondContact CD-O 3.35Å; S264-A268 WeakPolarHBondContact O-CB 3.32Å; S264-A268 PolarHBondContact O-N 3.47Å; E265-A268 PolarHBondContact O-N 3.08Å; A268-R272 PolarHBondContact O-N 2.99Å
269T98.6Very high96.7Very high1 Ų134.8 Ų34.81%0.00618%0.18CC..Hα-helixtrans-70.2-47.4178.4-53.90000110.7S213 L216 R217 L249 E265 L266 C267 S271 R272 L273S213-T269 PolarHBondContact O-OG1 2.93Å; S213-T269 VanDerWaalsContact O-OG1 3.13Å; L216-T269 HydrophobicContact CB-CG2 4.32Å; R217-T269 HydrophobicContact CB-CG2 4.17Å; L249-T269 HydrophobicContact CD1-CG2 3.64Å; L249-T269 HydrophobicContact CD2-CG2 4.06Å; E265-T269 WeakPolarHBondContact O-CB 3.24Å; E265-T269 PolarHBondContact O-N 3.15Å; E265-T269 PolarHBondContact O-OG1 3.04Å; L266-T269 PolarHBondContact O-N 3.21Å; C267-T269 VanDerWaalsContact C-N 3.25Å; C267-T269 PolarHBondContact O-N 3.22Å; T269-S271 VanDerWaalsContact C-N 3.31Å; T269-S271 PolarHBondContact O-N 2.96Å; T269-R272 PolarHBondContact O-N 3.35Å; T269-L273 HydrophobicContact CG2-CD1 4.42Å; T269-L273 WeakPolarHBondContact O-CG 3.24Å; T269-L273 PolarHBondContact O-N 2.85Å; T269-L273 VanDerWaalsContact O-N 3.1Å
270L98.4Very high96.9Very high2 Ų232.2 Ų32.21%0.0117%0.166CC..Hα-helixtrans-56.7-43.1174.1-73.3169.9000111.9L246 L249 I250 L266 C267 R272 L273 A274 I283 M292L246-L270 HydrophobicContact CD2-CD2 4Å; L249-L270 HydrophobicContact CB-CD2 3.87Å; L249-L270 HydrophobicContact CB-CG 4.16Å; L249-L270 HydrophobicContact CD1-CD2 4.07Å; L249-L270 HydrophobicContact CD1-CG 4.41Å; I250-L270 HydrophobicContact CG1-CD1 4.09Å; I250-L270 HydrophobicContact CG1-CD2 4.13Å; L266-L270 WeakPolarHBondContact O-CG 3.42Å; L266-L270 PolarHBondContact O-N 3.39Å; C267-L270 PolarHBondContact O-N 3.04Å; L270-R272 PolarHBondContact O-N 3.49Å; L270-L273 PolarHBondContact O-N 3.44Å; L270-L273 VanDerWaalsContact O-N 3.1Å; L270-A274 PolarHBondContact O-N 3.03Å; L270-I283 HydrophobicContact CD2-CG1 4.46Å; L270-M292 HydrophobicContact CB-CE 4.41Å; L270-M292 HydrophobicContact CD1-CE 3.97Å
271S97.4Very high97.1Very high14 Ų1431.8 Ų31.810%0.09816%0.159CC..Hα-helixtrans-56.3-37.3174.8-55.30000112.9C267 T269 A312C267-S271 PolarHBondContact O-N 3.46Å; C267-S271 PolarHBondContact O-OG 3.15Å; T269-S271 VanDerWaalsContact C-N 3.31Å; T269-S271 PolarHBondContact O-N 2.96Å; S271-A312 WeakPolarHBondContact OG-CA 3.29Å; S271-A312 WeakPolarHBondContact OG-CB 3.26Å; S271-A312 PolarHBondContact OG-N 3.41Å
272R96.8Very high97.2Very high121 Ų12132.4 Ų32.446%0.45716%0.159SC..Hα-helixtrans-80-19.8179.4-70.4-42.8-166.297.3-2.4114R217 A268 T269 L270 V275R217-R272 HydrophobicContact CG-CB 4.19Å; R217-R272 HydrophobicContact CG-CG 3.81Å; A268-R272 PolarHBondContact O-N 2.99Å; T269-R272 PolarHBondContact O-N 3.35Å; L270-R272 PolarHBondContact O-N 3.49Å; R272-V275 VanDerWaalsContact O-CG1 3.27Å; R272-V275 WeakPolarHBondContact O-CG1 3.41Å
273L97.9Very high97.3Very high1 Ų132.4 Ų32.41%0.00516%0.159CC..Hα-helixtrans-88.6-18173.9-61.5179.7000112.6T220 A236 I239 V240 L246 L249 T269 L270 V275 F279T220-L273 HydrophobicContact CG2-CD2 4.15Å; A236-L273 HydrophobicContact CB-CD2 4.04Å; I239-L273 HydrophobicContact CB-CD2 4.09Å; I239-L273 HydrophobicContact CD1-CD2 4.11Å; I239-L273 HydrophobicContact CG2-CD1 3.72Å; I239-L273 HydrophobicContact CG2-CD2 3.9Å; I239-L273 HydrophobicContact CG2-CG 4.49Å; V240-L273 HydrophobicContact CG2-CB 4.01Å; V240-L273 HydrophobicContact CG2-CD1 4.35Å; V240-L273 HydrophobicContact CG2-CD2 4.35Å; V240-L273 HydrophobicContact CG2-CG 4.46Å; L246-L273 HydrophobicContact CD2-CB 3.79Å; L246-L273 HydrophobicContact CD2-CD1 4.06Å; L249-L273 HydrophobicContact CD1-CD1 3.52Å; T269-L273 HydrophobicContact CG2-CD1 4.42Å; T269-L273 WeakPolarHBondContact O-CG 3.24Å; T269-L273 PolarHBondContact O-N 2.85Å; T269-L273 VanDerWaalsContact O-N 3.1Å; L270-L273 PolarHBondContact O-N 3.44Å; L270-L273 VanDerWaalsContact O-N 3.1Å; L273-V275 PolarHBondContact O-N 3.1Å; L273-F279 WeakPolarHBondContact O-CD2 3.44Å
274A96.8Very high97.2Very high13 Ų1333.5 Ų33.511%0.10717%0.167CC..  trans-7454.1175.800000113.1L270 I283 A315 I316L270-A274 PolarHBondContact O-N 3.03Å; A274-I283 HydrophobicContact CB-CD1 3.97Å; A274-A315 HydrophobicContact CB-CB 4.03Å; A274-I316 HydrophobicContact CB-CG2 4.01Å
275V93.4Very high97.2Very high66 Ų6638.6 Ų38.640%0.419%0.193SC..  trans-98.3-2.7-174.8-65.50000114.1A236 R272 L273 F279A236-V275 HydrophobicContact CB-CG2 4.05Å; R272-V275 VanDerWaalsContact O-CG1 3.27Å; R272-V275 WeakPolarHBondContact O-CG1 3.41Å; L273-V275 PolarHBondContact O-N 3.1Å; V275-F279 HydrophobicContact CG2-CD2 4.09Å; V275-F279 HydrophobicContact CG2-CE2 4.26Å
276R95.4Very high97.2Very high71 Ų7140.9 Ų40.927%0.26821%0.205SC..SBendtrans-139148.9179.2-65.3-178.7-178.5-168.8-4.4109.9H233 E278 F279 C280H233-R276 PolarHBondContact CD2-NH2 3.38Å; H233-R276 PolarHBondContact CE1-NE 3.18Å; H233-R276 PolarHBondContact NE2-NE 3.49Å; H233-R276 PolarHBondContact NE2-NH2 2.83Å; R276-E278 PolarHBondContact O-N 3.07Å; R276-F279 HydrophobicContact CB-CB 4.46Å; R276-F279 HydrophobicContact CB-CD2 3.91Å; R276-F279 HydrophobicContact CB-CE2 4.3Å; R276-F279 HydrophobicContact CB-CG 4.04Å; R276-F279 HydrophobicContact CG-CD2 4.14Å; R276-F279 HydrophobicContact CG-CE2 4.1Å; R276-F279 PolarHBondContact O-N 3.38Å; R276-C280 PolarHBondContact O-N 3.43Å; R276-C280 PolarHBondContact O-SG 2.91Å
277N95.5Very high97.1Very high102 Ų10242 Ų4255%0.54522%0.217SC..Hα-helixtrans-56.9-38.5179-73.9-2.6000112.7C280 Q281 N319N277-C280 PolarHBondContact O-N 3.01Å; N277-Q281 PolarHBondContact O-N 3.25Å; N277-Q281 VanDerWaalsContact O-N 3.07Å; N277-N319 HydrophobicContact CB-CB 4.46Å; N277-N319 PolarHBondContact O-ND2 3.07Å
278E96.8Very high97.1Very high136 Ų13642 Ų4264%0.63622%0.217SC*.Hα-helixtrans-60.6-47.6175.2-67.2162.5-135.600110.9R276 C280 Q281 D282R276-E278 PolarHBondContact O-N 3.07Å; E278-C280 VanDerWaalsContact C-N 3.33Å; E278-C280 PolarHBondContact O-N 3.05Å; E278-Q281 CarbonylContact O-C 3.56Å; E278-Q281 WeakPolarHBondContact O-CA 3.2Å; E278-Q281 WeakPolarHBondContact O-CB 3.32Å; E278-Q281 PolarHBondContact O-N 2.95Å; E278-D282 VanDerWaalsContact O-CG 3.28Å; E278-D282 PolarHBondContact O-N 3Å
279F97.8Very high97Very high1 Ų142.4 Ų42.40%0.00422%0.219CC..Hα-helixtrans-66.5-35.1179.9-59-13000112.4K237 V240 L241 L246 L273 V275 R276 Q281 D282 I283K237-F279 HydrophobicContact CG-CZ 4.35Å; V240-F279 HydrophobicContact CB-CD1 4.45Å; V240-F279 HydrophobicContact CB-CD2 4.38Å; V240-F279 HydrophobicContact CB-CE1 4.2Å; V240-F279 HydrophobicContact CB-CE2 4.1Å; V240-F279 HydrophobicContact CB-CZ 4Å; V240-F279 HydrophobicContact CG1-CD1 3.62Å; V240-F279 HydrophobicContact CG1-CD2 4.32Å; V240-F279 HydrophobicContact CG1-CE1 3.61Å; V240-F279 HydrophobicContact CG1-CE2 4.29Å; V240-F279 HydrophobicContact CG1-CG 4Å; V240-F279 HydrophobicContact CG1-CZ 3.94Å; V240-F279 HydrophobicContact CG2-CD2 4.06Å; V240-F279 HydrophobicContact CG2-CE2 4.11Å; V240-F279 HydrophobicContact CG2-CG 4.4Å; L241-F279 HydrophobicContact CD1-CZ 4.36Å; L241-F279 HydrophobicContact CD2-CE1 3.78Å; L241-F279 HydrophobicContact CD2-CZ 4.26Å; L241-F279 HydrophobicContact CG-CE1 4.07Å; L241-F279 HydrophobicContact CG-CZ 4.03Å; L246-F279 HydrophobicContact CD1-CB 4.25Å; L273-F279 WeakPolarHBondContact O-CD2 3.44Å; V275-F279 HydrophobicContact CG2-CD2 4.09Å; V275-F279 HydrophobicContact CG2-CE2 4.26Å; R276-F279 HydrophobicContact CB-CB 4.46Å; R276-F279 HydrophobicContact CB-CD2 3.91Å; R276-F279 HydrophobicContact CB-CE2 4.3Å; R276-F279 HydrophobicContact CB-CG 4.04Å; R276-F279 HydrophobicContact CG-CD2 4.14Å; R276-F279 HydrophobicContact CG-CE2 4.1Å; R276-F279 PolarHBondContact O-N 3.38Å; F279-Q281 VanDerWaalsContact C-N 3.31Å; F279-D282 PolarHBondContact O-N 3.45Å; F279-I283 VanDerWaalsContact O-CG1 3.31Å; F279-I283 WeakPolarHBondContact O-CG1 3.15Å; F279-I283 PolarHBondContact O-N 2.89Å; F279-I283 VanDerWaalsContact O-N 3.07Å
280C97.8Very high96.9Very high2 Ų250.1 Ų50.11%0.01425%0.252CS..Hα-helixtrans-62.1-41.7172.1-61.50000111.5R276 N277 E278 C284 I316 N319 V322R276-C280 PolarHBondContact O-N 3.43Å; R276-C280 PolarHBondContact O-SG 2.91Å; N277-C280 PolarHBondContact O-N 3.01Å; E278-C280 VanDerWaalsContact C-N 3.33Å; E278-C280 PolarHBondContact O-N 3.05Å; C280-C284 PolarHBondContact O-N 3.04Å; C280-I316 HydrophobicContact CB-CB 4.36Å; C280-I316 VanDerWaalsContact CB-O 3.31Å; C280-I316 WeakPolarHBondContact CB-O 3.48Å; C280-N319 HydrophobicContact CB-CB 3.62Å; C280-V322 HydrophobicContact CB-CG2 4.37Å
281Q97.6Very high96.8Very high55 Ų5551 Ų5126%0.25726%0.256SS..Hα-helixtrans-67.8-43.3176.8-171.959.449.800111.2N277 E278 F279 I283 C284 D285N277-Q281 PolarHBondContact O-N 3.25Å; N277-Q281 VanDerWaalsContact O-N 3.07Å; E278-Q281 CarbonylContact O-C 3.56Å; E278-Q281 WeakPolarHBondContact O-CA 3.2Å; E278-Q281 WeakPolarHBondContact O-CB 3.32Å; E278-Q281 PolarHBondContact O-N 2.95Å; F279-Q281 VanDerWaalsContact C-N 3.31Å; Q281-I283 VanDerWaalsContact C-N 3.28Å; Q281-I283 PolarHBondContact O-N 3.28Å; Q281-C284 CarbonylContact O-C 3.29Å; Q281-C284 WeakPolarHBondContact O-CA 3.43Å; Q281-C284 VanDerWaalsContact O-CB 3.3Å; Q281-C284 WeakPolarHBondContact O-CB 3.48Å; Q281-C284 PolarHBondContact O-N 3.28Å; Q281-D285 PolarHBondContact NE2-OD1 3.23Å; Q281-D285 PolarHBondContact O-N 3.12Å
282D97.9Very high96.7Very high61 Ų6150.3 Ų50.333%0.32625%0.251SS..Hα-helixtrans-57.8-40.3176.7-67.1-23.1000111.8L246 E278 F279 C284 D285 L286L246-D282 HydrophobicContact CD1-CB 3.81Å; E278-D282 VanDerWaalsContact O-CG 3.28Å; E278-D282 PolarHBondContact O-N 3Å; F279-D282 PolarHBondContact O-N 3.45Å; D282-C284 VanDerWaalsContact C-N 3.28Å; D282-C284 PolarHBondContact O-N 3.02Å; D282-D285 PolarHBondContact O-N 2.92Å; D282-L286 VanDerWaalsContact O-CB 3.29Å; D282-L286 WeakPolarHBondContact O-CB 3.37Å; D282-L286 WeakPolarHBondContact O-CD1 2.9Å; D282-L286 WeakPolarHBondContact O-CG 3.33Å; D282-L286 PolarHBondContact O-N 2.9Å
283I98Very high96.6Very high0 Ų045.2 Ų45.20%023%0.233CC..Hα-helixtrans-60.3-40174.6-68.9164.5000110.9L246 I250 L270 A274 F279 Q281 G288 M292 I316L246-I283 HydrophobicContact CD1-CG1 4.02Å; L246-I283 HydrophobicContact CD2-CD1 3.96Å; L246-I283 HydrophobicContact CD2-CG1 3.83Å; L246-I283 HydrophobicContact CG-CG1 4.35Å; I250-I283 HydrophobicContact CD1-CG2 4.26Å; L270-I283 HydrophobicContact CD2-CG1 4.46Å; A274-I283 HydrophobicContact CB-CD1 3.97Å; F279-I283 VanDerWaalsContact O-CG1 3.31Å; F279-I283 WeakPolarHBondContact O-CG1 3.15Å; F279-I283 PolarHBondContact O-N 2.89Å; F279-I283 VanDerWaalsContact O-N 3.07Å; Q281-I283 VanDerWaalsContact C-N 3.28Å; Q281-I283 PolarHBondContact O-N 3.28Å; I283-G288 VanDerWaalsContact O-CA 3.29Å; I283-G288 WeakPolarHBondContact O-CA 3.48Å; I283-G288 PolarHBondContact O-N 2.9Å; I283-M292 HydrophobicContact CG2-CE 4.17Å; I283-I316 HydrophobicContact CB-CG2 4.18Å; I283-I316 HydrophobicContact CD1-CG2 3.6Å; I283-I316 HydrophobicContact CG1-CG2 4.49Å; I283-I316 HydrophobicContact CG2-CG2 3.96Å
284C96.4Very high96.5Very high24 Ų2448 Ų4816%0.16225%0.25CC..Hα-helixtrans-66.7-46.1175.4-74.70000112C280 Q281 D282 L286 G287 V322C280-C284 PolarHBondContact O-N 3.04Å; Q281-C284 CarbonylContact O-C 3.29Å; Q281-C284 WeakPolarHBondContact O-CA 3.43Å; Q281-C284 VanDerWaalsContact O-CB 3.3Å; Q281-C284 WeakPolarHBondContact O-CB 3.48Å; Q281-C284 PolarHBondContact O-N 3.28Å; D282-C284 VanDerWaalsContact C-N 3.28Å; D282-C284 PolarHBondContact O-N 3.02Å; C284-L286 VanDerWaalsContact C-N 3.28Å; C284-L286 PolarHBondContact O-N 3.39Å; C284-G287 WeakPolarHBondContact O-CA 3.4Å; C284-G287 PolarHBondContact O-N 3.16Å; C284-V322 VanDerWaalsContact SG-CG1 3.58Å; C284-V322 VanDerWaalsContact SG-CG2 3.58Å
285D97Very high96.3Very high117 Ų11747.8 Ų47.863%0.62625%0.247SC*.Hα-helixtrans-65.8-32.4-177.6-65.8-9.9000111.9Q281 D282 G287Q281-D285 PolarHBondContact NE2-OD1 3.23Å; Q281-D285 PolarHBondContact O-N 3.12Å; D282-D285 PolarHBondContact O-N 2.92Å; D285-G287 PolarHBondContact O-N 2.9Å
286L97.6Very high96.3Very high64 Ų6444.8 Ų44.834%0.33523%0.229SC..THydrogen-bonded Turntrans-760.9171.7-67.7167.2000113.6L246 K247 I250 D282 C284L246-L286 HydrophobicContact CB-CD1 3.81Å; K247-L286 HydrophobicContact CB-CD1 4.09Å; K247-L286 HydrophobicContact CB-CD2 4.06Å; K247-L286 HydrophobicContact CD-CD2 4.46Å; K247-L286 HydrophobicContact CG-CD2 4.12Å; I250-L286 HydrophobicContact CD1-CB 3.53Å; I250-L286 HydrophobicContact CD1-CD1 4.02Å; I250-L286 HydrophobicContact CD1-CG 4.44Å; D282-L286 VanDerWaalsContact O-CB 3.29Å; D282-L286 WeakPolarHBondContact O-CB 3.37Å; D282-L286 WeakPolarHBondContact O-CD1 2.9Å; D282-L286 WeakPolarHBondContact O-CG 3.33Å; D282-L286 PolarHBondContact O-N 2.9Å; C284-L286 VanDerWaalsContact C-N 3.28Å; C284-L286 PolarHBondContact O-N 3.39Å
287G96.7Very high96.2Very high25 Ų2543.4 Ų43.426%0.25823%0.233SC..THydrogen-bonded Turntrans82.28.8178.900000115C284 D285 L289 K290 F291C284-G287 WeakPolarHBondContact O-CA 3.4Å; C284-G287 PolarHBondContact O-N 3.16Å; D285-G287 PolarHBondContact O-N 2.9Å; G287-L289 PolarHBondContact O-N 2.88Å; G287-K290 PolarHBondContact O-N 2.83Å; G287-F291 PolarHBondContact O-N 3.1Å; G287-F291 VanDerWaalsContact O-N 3.08Å
288G97Very high95.9Very high1 Ų144.3 Ų44.31%0.0124%0.237CC..Hα-helixtrans-62.2-39.1-178.900000113.5I283 F291 M292I283-G288 VanDerWaalsContact O-CA 3.29Å; I283-G288 WeakPolarHBondContact O-CA 3.48Å; I283-G288 PolarHBondContact O-N 2.9Å; G288-F291 WeakPolarHBondContact O-CB 3.49Å; G288-F291 PolarHBondContact O-N 3.3Å; G288-M292 VanDerWaalsContact O-CG 3.29Å; G288-M292 WeakPolarHBondContact O-CG 3.31Å; G288-M292 PolarHBondContact O-N 3.47Å
289L96.6Very high95.3Very high13 Ų1339.2 Ų39.27%0.06822%0.217CC..Hα-helixtrans-62.3-48.7175.9171.560.4000111.7G287 F291 M292 M293 I316 A325 V326G287-L289 PolarHBondContact O-N 2.88Å; L289-F291 PolarHBondContact O-N 3.45Å; L289-M292 PolarHBondContact O-N 2.91Å; L289-M292 VanDerWaalsContact O-N 3.16Å; L289-M293 HydrophobicContact CD1-CE 3.88Å; L289-M293 HydrophobicContact CD1-CG 4.24Å; L289-M293 HydrophobicContact CD1-SD 4.45Å; L289-M293 WeakPolarHBondContact O-CG 3.47Å; L289-M293 PolarHBondContact O-N 2.89Å; L289-I316 HydrophobicContact CB-CD1 4.13Å; L289-I316 HydrophobicContact CD1-CD1 3.98Å; L289-A325 HydrophobicContact CD2-CB 3.73Å; L289-V326 HydrophobicContact CD1-CG2 3.6Å; L289-V326 HydrophobicContact CD2-CG2 4.15Å
290K96.1Very high94.5Very high164 Ų16443.4 Ų43.471%0.71323%0.233SC*.Hα-helixtrans-56.7-44.8177.9-179.7-179.5176.5-177.30110.4G287 M293 T294G287-K290 PolarHBondContact O-N 2.83Å; K290-M293 PolarHBondContact O-N 2.74Å; K290-T294 PolarHBondContact O-N 3.4Å; K290-T294 PolarHBondContact O-OG1 3.02Å
291F95.8Very high94Very high19 Ų1947.5 Ų47.58%0.08325%0.252CS..Hα-helixtrans-60.2-46.6176.3176.2-100.5000112.8A253 Q254 L257 L263 G287 G288 L289 M293 T294 L295A253-F291 HydrophobicContact CB-CD1 4.29Å; A253-F291 HydrophobicContact CB-CE1 3.44Å; A253-F291 VanDerWaalsContact CB-CE1 3.44Å; A253-F291 HydrophobicContact CB-CZ 3.57Å; A253-F291 WeakPolarHBondContact O-CZ 3.43Å; Q254-F291 HydrophobicContact CG-CD2 3.89Å; Q254-F291 HydrophobicContact CG-CE2 4.13Å; Q254-F291 HydrophobicContact CG-CG 4.5Å; L257-F291 HydrophobicContact CD2-CD2 4.49Å; L257-F291 HydrophobicContact CD2-CE2 3.52Å; L257-F291 HydrophobicContact CD2-CZ 4.25Å; L263-F291 HydrophobicContact CD2-CE1 4.29Å; L263-F291 HydrophobicContact CD2-CZ 3.71Å; G287-F291 PolarHBondContact O-N 3.1Å; G287-F291 VanDerWaalsContact O-N 3.08Å; G288-F291 WeakPolarHBondContact O-CB 3.49Å; G288-F291 PolarHBondContact O-N 3.3Å; L289-F291 PolarHBondContact O-N 3.45Å; F291-M293 VanDerWaalsContact C-N 3.31Å; F291-M293 PolarHBondContact O-N 2.97Å; F291-T294 WeakPolarHBondContact O-CB 3.43Å; F291-T294 PolarHBondContact O-N 3.49Å; F291-L295 HydrophobicContact CD1-CD1 3.99Å; F291-L295 HydrophobicContact CD1-CG 4.3Å; F291-L295 HydrophobicContact CE1-CD1 3.27Å; F291-L295 HydrophobicContact CE1-CD2 4.45Å; F291-L295 HydrophobicContact CE1-CG 3.81Å; F291-L295 HydrophobicContact CE2-CD2 4.32Å; F291-L295 HydrophobicContact CE2-CG 4.27Å; F291-L295 HydrophobicContact CZ-CD1 3.61Å; F291-L295 HydrophobicContact CZ-CD2 3.95Å; F291-L295 HydrophobicContact CZ-CG 3.79Å; F291-L295 PolarHBondContact O-N 3.11Å
292M96.2Very high93.8Very high0 Ų046.5 Ų46.50%025%0.251CS..Hα-helixtrans-61.1-38176.5-70.3172.7-164.700112.4L270 I283 G288 L289 L295 L296 V309 A312 I313 I316L270-M292 HydrophobicContact CB-CE 4.41Å; L270-M292 HydrophobicContact CD1-CE 3.97Å; I283-M292 HydrophobicContact CG2-CE 4.17Å; G288-M292 VanDerWaalsContact O-CG 3.29Å; G288-M292 WeakPolarHBondContact O-CG 3.31Å; G288-M292 PolarHBondContact O-N 3.47Å; L289-M292 PolarHBondContact O-N 2.91Å; L289-M292 VanDerWaalsContact O-N 3.16Å; M292-L295 PolarHBondContact O-N 2.97Å; M292-L296 WeakPolarHBondContact O-CB 3.5Å; M292-L296 PolarHBondContact O-N 3.4Å; M292-V309 HydrophobicContact CB-CG1 4.17Å; M292-V309 WeakPolarHBondContact O-CG1 3.3Å; M292-A312 HydrophobicContact CE-CB 3.68Å; M292-A312 HydrophobicContact SD-CB 3.65Å; M292-I313 HydrophobicContact CB-CD1 4.49Å; M292-I313 HydrophobicContact CB-CG1 4.06Å; M292-I313 HydrophobicContact SD-CG1 4.2Å; M292-I316 HydrophobicContact SD-CD1 4.02Å
293M95.4Very high93.6Very high14 Ų1445.8 Ų45.87%0.06925%0.25CC..Hα-helixtrans-64-44.3174-63.6-59.693.500111.5L289 K290 F291 L296 A297 I313 A329 G331 L334L289-M293 HydrophobicContact CD1-CE 3.88Å; L289-M293 HydrophobicContact CD1-CG 4.24Å; L289-M293 HydrophobicContact CD1-SD 4.45Å; L289-M293 WeakPolarHBondContact O-CG 3.47Å; L289-M293 PolarHBondContact O-N 2.89Å; K290-M293 PolarHBondContact O-N 2.74Å; F291-M293 VanDerWaalsContact C-N 3.31Å; F291-M293 PolarHBondContact O-N 2.97Å; M293-L296 PolarHBondContact O-N 3.49Å; M293-A297 WeakPolarHBondContact O-CB 3.36Å; M293-A297 PolarHBondContact O-N 3.38Å; M293-I313 HydrophobicContact CE-CD1 3.2Å; M293-I313 HydrophobicContact CE-CG1 3.51Å; M293-I313 HydrophobicContact CE-CG2 4.26Å; M293-A329 HydrophobicContact CG-CB 4.46Å; M293-G331 VanDerWaalsContact SD-CA 3.55Å; M293-L334 HydrophobicContact CB-CD1 4.21Å; M293-L334 HydrophobicContact SD-CD1 4.21Å
294T94.2Very high93.4Very high60 Ų6049.9 Ų49.937%0.36827%0.269SS..Hα-helixtrans-60.9-44.6175.3-60.70000111.5K290 F291 L296 A297 D298K290-T294 PolarHBondContact O-N 3.4Å; K290-T294 PolarHBondContact O-OG1 3.02Å; F291-T294 WeakPolarHBondContact O-CB 3.43Å; F291-T294 PolarHBondContact O-N 3.49Å; T294-L296 VanDerWaalsContact C-N 3.32Å; T294-L296 PolarHBondContact O-N 2.95Å; T294-A297 PolarHBondContact O-N 3.42Å; T294-A297 VanDerWaalsContact O-N 3.17Å; T294-D298 WeakPolarHBondContact CG2-OD2 3.42Å; T294-D298 WeakPolarHBondContact O-CB 3.27Å; T294-D298 PolarHBondContact O-N 3Å
295L93.6Very high93.4Very high8 Ų848.8 Ų48.84%0.04226%0.262CS..Hα-helixtrans-60.2-41.9175.4-73.6-174.2000112.6L263 F291 M292 A297 S299 V309L263-L295 HydrophobicContact CD1-CD2 3.8Å; L263-L295 HydrophobicContact CD2-CD1 4.32Å; F291-L295 HydrophobicContact CD1-CD1 3.99Å; F291-L295 HydrophobicContact CD1-CG 4.3Å; F291-L295 HydrophobicContact CE1-CD1 3.27Å; F291-L295 HydrophobicContact CE1-CD2 4.45Å; F291-L295 HydrophobicContact CE1-CG 3.81Å; F291-L295 HydrophobicContact CE2-CD2 4.32Å; F291-L295 HydrophobicContact CE2-CG 4.27Å; F291-L295 HydrophobicContact CZ-CD1 3.61Å; F291-L295 HydrophobicContact CZ-CD2 3.95Å; F291-L295 HydrophobicContact CZ-CG 3.79Å; F291-L295 PolarHBondContact O-N 3.11Å; M292-L295 PolarHBondContact O-N 2.97Å; L295-A297 VanDerWaalsContact C-N 3.27Å; L295-A297 PolarHBondContact O-N 2.97Å; L295-S299 WeakPolarHBondContact O-CA 3.46Å; L295-S299 WeakPolarHBondContact O-CB 3.31Å; L295-S299 PolarHBondContact O-N 2.91Å; L295-V309 HydrophobicContact CB-CG2 4.07Å; L295-V309 HydrophobicContact CD1-CG2 4.02Å
296L93.1Very high93.4Very high4 Ų443.3 Ų43.32%0.02123%0.232CC..Hα-helixtrans-67-31.5178.6-16561.4000111.8M292 M293 T294 Y300 V306 V309 L310 I313 L334 I335 A338M292-L296 WeakPolarHBondContact O-CB 3.5Å; M292-L296 PolarHBondContact O-N 3.4Å; M293-L296 PolarHBondContact O-N 3.49Å; T294-L296 VanDerWaalsContact C-N 3.32Å; T294-L296 PolarHBondContact O-N 2.95Å; L296-Y300 WeakPolarHBondContact O-CB 3.5Å; L296-V306 HydrophobicContact CD1-CG1 4.04Å; L296-V306 HydrophobicContact CD1-CG2 4.28Å; L296-V309 HydrophobicContact CB-CG1 4.09Å; L296-V309 HydrophobicContact CD1-CG1 4.34Å; L296-L310 HydrophobicContact CD1-CD2 4.33Å; L296-L310 HydrophobicContact CD1-CG 4.44Å; L296-L310 HydrophobicContact CD2-CD2 4.07Å; L296-I313 HydrophobicContact CD2-CD1 4.15Å; L296-L334 HydrophobicContact CD2-CB 3.74Å; L296-L334 HydrophobicContact CG-CB 4.19Å; L296-I335 HydrophobicContact CD2-CG1 4.15Å; L296-A338 HydrophobicContact CD1-CB 3.75Å; L296-A338 HydrophobicContact CG-CB 4.32Å
297A92.6Very high93.3Very high42 Ų4243 Ų4335%0.34723%0.227SC..Hα-helixtrans-78.4-41.9176.400000113.1M293 T294 L295 Y300 L334M293-A297 WeakPolarHBondContact O-CB 3.36Å; M293-A297 PolarHBondContact O-N 3.38Å; T294-A297 PolarHBondContact O-N 3.42Å; T294-A297 VanDerWaalsContact O-N 3.17Å; L295-A297 VanDerWaalsContact C-N 3.27Å; L295-A297 PolarHBondContact O-N 2.97Å; A297-Y300 WeakPolarHBondContact O-CD1 3.27Å; A297-L334 HydrophobicContact CB-CD1 4.49Å; A297-L334 HydrophobicContact CB-CD2 4.03Å
298D89.9Confident93.4Very high121 Ų12142.7 Ų42.765%0.64722%0.219SC*.Hα-helixtrans-90.4-29.3-171.4-66.8-14.3000113.1T294T294-D298 WeakPolarHBondContact CG2-OD2 3.42Å; T294-D298 WeakPolarHBondContact O-CB 3.27Å; T294-D298 PolarHBondContact O-N 3Å
299S85Confident93.4Very high29 Ų2942.7 Ų42.720%0.20322%0.218CC..SBendtrans-118.227.6-173.3-59.60000113.2L295 E301 S302L295-S299 WeakPolarHBondContact O-CA 3.46Å; L295-S299 WeakPolarHBondContact O-CB 3.31Å; L295-S299 PolarHBondContact O-N 2.91Å; S299-E301 PolarHBondContact O-N 3.28Å; S299-S302 PolarHBondContact O-N 3.2Å
300Y81Confident93.5Very high89 Ų8942.1 Ų42.135%0.34922%0.215SC..THydrogen-bonded Turntrans-62.5-11.3-177.874.4-86.7000114L296 A297 R341 H342L296-Y300 WeakPolarHBondContact O-CB 3.5Å; A297-Y300 WeakPolarHBondContact O-CD1 3.27Å; Y300-R341 HydrophobicContact CD2-CG 4Å; Y300-R341 HydrophobicContact CE2-CG 4.29Å; Y300-H342 PolarHBondContact O-CD2 2.96Å; Y300-H342 PolarHBondContact O-NE2 3.37Å
301E86.9Confident93.6Very high88 Ų8835.7 Ų35.741%0.41119%0.191SC..THydrogen-bonded Turntrans-79.9-20.1178.7-65.1-66.5174.600113.6S299 P303 R341 H342S299-E301 PolarHBondContact O-N 3.28Å; E301-P303 VanDerWaalsContact O-CD 3.24Å; E301-P303 WeakPolarHBondContact O-CD 3.35Å; E301-R341 IonicContact OE1-CZ 3.37Å; E301-R341 IonicContact OE1-NE 3.28Å; E301-R341 IonicContact OE1-NH2 2.69Å; E301-R341 PolarHBondContact OE1-NH2 3.23Å; E301-R341 IonicContact OE2-CZ 3.1Å; E301-R341 VanDerWaalsContact OE2-CZ 3.26Å; E301-R341 IonicContact OE2-NE 3.8Å; E301-R341 PolarHBondContact OE2-NE 3.43Å; E301-R341 IonicContact OE2-NH2 2.64Å; E301-R341 PolarHBondContact OE2-NH2 3.39Å; E301-H342 PolarHBondContact O-CE1 2.69Å
302S92.6Very high93.7Very high33 Ų3334.8 Ų34.823%0.23119%0.187CC..  trans-91.9106.1-179.8-178.40000111.1S299 E304 L305 V306S299-S302 PolarHBondContact O-N 3.2Å; S302-E304 VanDerWaalsContact C-N 3.28Å; S302-E304 PolarHBondContact O-N 2.97Å; S302-L305 PolarHBondContact O-N 3.1Å; S302-V306 WeakPolarHBondContact O-CB 3.41Å; S302-V306 VanDerWaalsContact O-CG2 3.24Å; S302-V306 WeakPolarHBondContact O-CG2 3.16Å; S302-V306 PolarHBondContact O-N 3.12Å
303P94.3Very high93.8Very high47 Ų4734.8 Ų34.831%0.30519%0.187SC..Hα-helixtrans-63.4-34.3-175.623.4-33.2000112.8E301 R307 V348E301-P303 VanDerWaalsContact O-CD 3.24Å; E301-P303 WeakPolarHBondContact O-CD 3.35Å; P303-R307 VanDerWaalsContact O-CB 3.25Å; P303-R307 WeakPolarHBondContact O-CB 3.02Å; P303-R307 PolarHBondContact O-N 3.34Å; P303-V348 HydrophobicContact CB-CG2 4.1Å; P303-V348 WeakPolarHBondContact O-CG2 3.27Å
304E93.8Very high93.9Very high85 Ų8537.9 Ų37.940%0.39720%0.198SC..Hα-helixtrans-69-45.5179.2177.853.5-156.300111.4S302 R307 Q308S302-E304 VanDerWaalsContact C-N 3.28Å; S302-E304 PolarHBondContact O-N 2.97Å; E304-R307 PolarHBondContact O-N 2.68Å; E304-R307 IonicContact OE1-CZ 3.68Å; E304-R307 IonicContact OE1-NE 2.68Å; E304-R307 IonicContact OE1-NH2 2.69Å; E304-R307 PolarHBondContact OE1-NH2 3.17Å; E304-R307 IonicContact OE2-CZ 3.93Å; E304-R307 IonicContact OE2-NE 3.97Å; E304-R307 PolarHBondContact OE2-NE 3.21Å; E304-R307 IonicContact OE2-NH2 3.58Å; E304-R307 PolarHBondContact OE2-NH2 2.93Å; E304-Q308 WeakPolarHBondContact O-CG 3.37Å; E304-Q308 PolarHBondContact O-N 3.41Å; E304-Q308 VanDerWaalsContact O-N 3.15Å; E304-Q308 PolarHBondContact OE1-NE2 2.9Å; E304-Q308 VanDerWaalsContact OE1-NE2 3.16Å
305L95.4Very high94.1Very high2 Ų236.4 Ų36.41%0.0119%0.192CC..Hα-helixtrans-65-46176.2178.758.2000111.2T260 L263 S264 S302 R307 Q308 V309T260-L305 HydrophobicContact CG2-CD2 4.12Å; L263-L305 HydrophobicContact CB-CD1 3.67Å; L263-L305 HydrophobicContact CB-CD2 4.49Å; L263-L305 HydrophobicContact CD1-CD2 4.26Å; S264-L305 WeakPolarHBondContact OG-CA 3.42Å; S302-L305 PolarHBondContact O-N 3.1Å; L305-R307 VanDerWaalsContact C-N 3.28Å; L305-R307 PolarHBondContact O-N 2.92Å; L305-Q308 PolarHBondContact O-N 3.48Å; L305-Q308 VanDerWaalsContact O-N 3.1Å; L305-V309 HydrophobicContact CD1-CG2 3.92Å; L305-V309 HydrophobicContact CG-CG2 4.2Å; L305-V309 WeakPolarHBondContact O-CG2 3.32Å; L305-V309 PolarHBondContact O-N 2.9Å
306V96.9Very high94.3Very high2 Ų236 Ų361%0.01219%0.19CC..Hα-helixtrans-54.5-46.8176.2166.30000110.6L296 S302 Q308 V309 L310 A338 V348L296-V306 HydrophobicContact CD1-CG1 4.04Å; L296-V306 HydrophobicContact CD1-CG2 4.28Å; S302-V306 WeakPolarHBondContact O-CB 3.41Å; S302-V306 VanDerWaalsContact O-CG2 3.24Å; S302-V306 WeakPolarHBondContact O-CG2 3.16Å; S302-V306 PolarHBondContact O-N 3.12Å; V306-Q308 VanDerWaalsContact C-N 3.32Å; V306-Q308 PolarHBondContact O-N 3.13Å; V306-V309 PolarHBondContact O-N 3.14Å; V306-L310 HydrophobicContact CG1-CD1 3.78Å; V306-L310 HydrophobicContact CG1-CG 4.26Å; V306-L310 WeakPolarHBondContact O-CB 3.29Å; V306-L310 VanDerWaalsContact O-CG 3.23Å; V306-L310 WeakPolarHBondContact O-CG 3.47Å; V306-L310 PolarHBondContact O-N 3.03Å; V306-A338 HydrophobicContact CG1-CB 3.91Å; V306-V348 HydrophobicContact CG1-CG1 3.78Å; V306-V348 HydrophobicContact CG1-CG2 4.41Å
307R97.2Very high94.5Very high56 Ų5635.9 Ų35.921%0.21119%0.189CC..Hα-helixtrans-57.5-44177.9-174.7-173.56572.6-12.6112P303 E304 L305 S311 A347 V348 Q351P303-R307 VanDerWaalsContact O-CB 3.25Å; P303-R307 WeakPolarHBondContact O-CB 3.02Å; P303-R307 PolarHBondContact O-N 3.34Å; E304-R307 PolarHBondContact O-N 2.68Å; E304-R307 IonicContact OE1-CZ 3.68Å; E304-R307 IonicContact OE1-NE 2.68Å; E304-R307 IonicContact OE1-NH2 2.69Å; E304-R307 PolarHBondContact OE1-NH2 3.17Å; E304-R307 IonicContact OE2-CZ 3.93Å; E304-R307 IonicContact OE2-NE 3.97Å; E304-R307 PolarHBondContact OE2-NE 3.21Å; E304-R307 IonicContact OE2-NH2 3.58Å; E304-R307 PolarHBondContact OE2-NH2 2.93Å; L305-R307 VanDerWaalsContact C-N 3.28Å; L305-R307 PolarHBondContact O-N 2.92Å; R307-S311 WeakPolarHBondContact O-CB 3.44Å; R307-S311 PolarHBondContact O-N 3.48Å; R307-A347 HydrophobicContact CG-CB 4.47Å; R307-V348 HydrophobicContact CB-CG2 4.25Å; R307-Q351 HydrophobicContact CG-CG 3.74Å
308Q97.6Very high94.5Very high20 Ų2035.9 Ų35.99%0.09319%0.193CC..Hα-helixtrans-71.7-38.7-179.7-62.7-69.9900112.5C267 E304 L305 V306 S311 A312C267-Q308 HydrophobicContact CB-CB 4.09Å; E304-Q308 WeakPolarHBondContact O-CG 3.37Å; E304-Q308 PolarHBondContact O-N 3.41Å; E304-Q308 VanDerWaalsContact O-N 3.15Å; E304-Q308 PolarHBondContact OE1-NE2 2.9Å; E304-Q308 VanDerWaalsContact OE1-NE2 3.16Å; L305-Q308 PolarHBondContact O-N 3.48Å; L305-Q308 VanDerWaalsContact O-N 3.1Å; V306-Q308 VanDerWaalsContact C-N 3.32Å; V306-Q308 PolarHBondContact O-N 3.13Å; Q308-S311 WeakPolarHBondContact O-CB 3.44Å; Q308-S311 PolarHBondContact O-N 3.39Å; Q308-A312 PolarHBondContact O-N 3.05Å
309V97.9Very high94.7Very high1 Ų130.7 Ų30.71%0.00617%0.166CC..Hα-helixtrans-63-46.3175.1171.90000110.6M292 L295 L296 L305 V306 S311 A312 I313M292-V309 HydrophobicContact CB-CG1 4.17Å; M292-V309 WeakPolarHBondContact O-CG1 3.3Å; L295-V309 HydrophobicContact CB-CG2 4.07Å; L295-V309 HydrophobicContact CD1-CG2 4.02Å; L296-V309 HydrophobicContact CB-CG1 4.09Å; L296-V309 HydrophobicContact CD1-CG1 4.34Å; L305-V309 HydrophobicContact CD1-CG2 3.92Å; L305-V309 HydrophobicContact CG-CG2 4.2Å; L305-V309 WeakPolarHBondContact O-CG2 3.32Å; L305-V309 PolarHBondContact O-N 2.9Å; V306-V309 PolarHBondContact O-N 3.14Å; V309-S311 VanDerWaalsContact C-N 3.3Å; V309-S311 PolarHBondContact O-N 2.93Å; V309-A312 PolarHBondContact O-N 3.35Å; V309-A312 VanDerWaalsContact O-N 3.13Å; V309-I313 HydrophobicContact CG1-CD1 3.72Å; V309-I313 HydrophobicContact CG1-CG1 4.42Å; V309-I313 WeakPolarHBondContact O-CD1 3.29Å; V309-I313 VanDerWaalsContact O-CG1 3.29Å; V309-I313 WeakPolarHBondContact O-CG1 3.27Å; V309-I313 PolarHBondContact O-N 3.33Å
310L98.3Very high95.3Very high0 Ų032.4 Ų32.40%017%0.173CC..Hα-helixtrans-60.4-39.5174.8-69.2173.1000112.1L296 V306 A312 R314 I335 V348 Q351 A352L296-L310 HydrophobicContact CD1-CD2 4.33Å; L296-L310 HydrophobicContact CD1-CG 4.44Å; L296-L310 HydrophobicContact CD2-CD2 4.07Å; V306-L310 HydrophobicContact CG1-CD1 3.78Å; V306-L310 HydrophobicContact CG1-CG 4.26Å; V306-L310 WeakPolarHBondContact O-CB 3.29Å; V306-L310 VanDerWaalsContact O-CG 3.23Å; V306-L310 WeakPolarHBondContact O-CG 3.47Å; V306-L310 PolarHBondContact O-N 3.03Å; L310-A312 VanDerWaalsContact C-N 3.34Å; L310-R314 VanDerWaalsContact O-CB 3.26Å; L310-R314 WeakPolarHBondContact O-CB 3.14Å; L310-R314 PolarHBondContact O-N 2.84Å; L310-I335 HydrophobicContact CD2-CB 4.19Å; L310-I335 HydrophobicContact CD2-CG1 3.68Å; L310-I335 HydrophobicContact CD2-CG2 3.95Å; L310-V348 HydrophobicContact CD1-CG1 4.03Å; L310-Q351 HydrophobicContact CB-CB 3.84Å; L310-Q351 HydrophobicContact CD1-CB 4.35Å; L310-A352 HydrophobicContact CD1-CB 4.01Å
311S97.9Very high96Very high29 Ų2933.4 Ų33.420%0.20318%0.184CC..Hα-helixtrans-62.7-40.6174.7-1670000112R307 Q308 V309 R314 A315R307-S311 WeakPolarHBondContact O-CB 3.44Å; R307-S311 PolarHBondContact O-N 3.48Å; Q308-S311 WeakPolarHBondContact O-CB 3.44Å; Q308-S311 PolarHBondContact O-N 3.39Å; V309-S311 VanDerWaalsContact C-N 3.3Å; V309-S311 PolarHBondContact O-N 2.93Å; S311-R314 PolarHBondContact O-N 2.99Å; S311-A315 WeakPolarHBondContact O-CB 3.49Å; S311-A315 PolarHBondContact O-N 2.91Å
312A98.1Very high96.5Very high0 Ų029.2 Ų29.20%016%0.164CC..Hα-helixtrans-67.8-46.4177.600000112.6C267 S271 M292 Q308 V309 L310 R314 A315 I316C267-A312 HydrophobicContact CB-CB 4.27Å; S271-A312 WeakPolarHBondContact OG-CA 3.29Å; S271-A312 WeakPolarHBondContact OG-CB 3.26Å; S271-A312 PolarHBondContact OG-N 3.41Å; M292-A312 HydrophobicContact CE-CB 3.68Å; M292-A312 HydrophobicContact SD-CB 3.65Å; Q308-A312 PolarHBondContact O-N 3.05Å; V309-A312 PolarHBondContact O-N 3.35Å; V309-A312 VanDerWaalsContact O-N 3.13Å; L310-A312 VanDerWaalsContact C-N 3.34Å; A312-R314 VanDerWaalsContact C-N 3.3Å; A312-R314 PolarHBondContact O-N 3.3Å; A312-A315 PolarHBondContact O-N 2.9Å; A312-A315 VanDerWaalsContact O-N 3.11Å; A312-I316 WeakPolarHBondContact O-CG1 3.3Å; A312-I316 PolarHBondContact O-N 3.24Å
313I98.2Very high96.8Very high0 Ų027.9 Ų27.90%015%0.154CC..Hα-helixtrans-58.4-45.4175.2-62.6156.3000110.1M292 M293 L296 V309 A315 I316 A317 V326 C355M292-I313 HydrophobicContact CB-CD1 4.49Å; M292-I313 HydrophobicContact CB-CG1 4.06Å; M292-I313 HydrophobicContact SD-CG1 4.2Å; M293-I313 HydrophobicContact CE-CD1 3.2Å; M293-I313 HydrophobicContact CE-CG1 3.51Å; M293-I313 HydrophobicContact CE-CG2 4.26Å; L296-I313 HydrophobicContact CD2-CD1 4.15Å; V309-I313 HydrophobicContact CG1-CD1 3.72Å; V309-I313 HydrophobicContact CG1-CG1 4.42Å; V309-I313 WeakPolarHBondContact O-CD1 3.29Å; V309-I313 VanDerWaalsContact O-CG1 3.29Å; V309-I313 WeakPolarHBondContact O-CG1 3.27Å; V309-I313 PolarHBondContact O-N 3.33Å; I313-A315 VanDerWaalsContact C-N 3.32Å; I313-A315 PolarHBondContact O-N 2.93Å; I313-I316 VanDerWaalsContact O-CG1 3.29Å; I313-I316 WeakPolarHBondContact O-CG1 3.46Å; I313-A317 WeakPolarHBondContact O-CB 3.44Å; I313-A317 PolarHBondContact O-N 3.48Å; I313-V326 HydrophobicContact CG2-CG1 3.89Å; I313-V326 HydrophobicContact CG2-CG2 3.88Å; I313-C355 VanDerWaalsContact CG2-SG 3.59Å
314R97.9Very high96.9Very high80 Ų8027.9 Ų27.930%0.30215%0.152SC..Hα-helixtrans-58.5-43.5175.7176.6-169.6165.9-171.9-3.7112L310 S311 A312 A317 C355 V358L310-R314 VanDerWaalsContact O-CB 3.26Å; L310-R314 WeakPolarHBondContact O-CB 3.14Å; L310-R314 PolarHBondContact O-N 2.84Å; S311-R314 PolarHBondContact O-N 2.99Å; A312-R314 VanDerWaalsContact C-N 3.3Å; A312-R314 PolarHBondContact O-N 3.3Å; R314-A317 PolarHBondContact O-N 3.37Å; R314-C355 HydrophobicContact CB-CB 4.09Å; R314-V358 HydrophobicContact CG-CB 4.48Å; R314-V358 HydrophobicContact CG-CG2 3.9Å
315A97.8Very high97.1Very high28 Ų2825.6 Ų25.623%0.23115%0.147CC..Hα-helixtrans-65.9-48.8-178.100000111.5A274 S311 A312 I313 A317 G318A274-A315 HydrophobicContact CB-CB 4.03Å; S311-A315 WeakPolarHBondContact O-CB 3.49Å; S311-A315 PolarHBondContact O-N 2.91Å; A312-A315 PolarHBondContact O-N 2.9Å; A312-A315 VanDerWaalsContact O-N 3.11Å; I313-A315 VanDerWaalsContact C-N 3.32Å; I313-A315 PolarHBondContact O-N 2.93Å; A315-A317 VanDerWaalsContact C-N 3.28Å; A315-A317 PolarHBondContact O-N 3.43Å; A315-G318 PolarHBondContact O-N 3.35Å
316I97.5Very high97.3Very high1 Ų125.5 Ų25.51%0.00515%0.147CC..Hα-helixtrans-67.1-30.5178.466.2176.1000112.3A274 C280 I283 L289 M292 A312 I313 G318 N319 V322A274-I316 HydrophobicContact CB-CG2 4.01Å; C280-I316 HydrophobicContact CB-CB 4.36Å; C280-I316 VanDerWaalsContact CB-O 3.31Å; C280-I316 WeakPolarHBondContact CB-O 3.48Å; I283-I316 HydrophobicContact CB-CG2 4.18Å; I283-I316 HydrophobicContact CD1-CG2 3.6Å; I283-I316 HydrophobicContact CG1-CG2 4.49Å; I283-I316 HydrophobicContact CG2-CG2 3.96Å; L289-I316 HydrophobicContact CB-CD1 4.13Å; L289-I316 HydrophobicContact CD1-CD1 3.98Å; M292-I316 HydrophobicContact SD-CD1 4.02Å; A312-I316 WeakPolarHBondContact O-CG1 3.3Å; A312-I316 PolarHBondContact O-N 3.24Å; I313-I316 VanDerWaalsContact O-CG1 3.29Å; I313-I316 WeakPolarHBondContact O-CG1 3.46Å; I316-G318 PolarHBondContact O-N 3.12Å; I316-N319 PolarHBondContact O-N 3.48Å; I316-N319 VanDerWaalsContact O-N 3.12Å; I316-V322 HydrophobicContact CB-CG1 4.01Å; I316-V322 HydrophobicContact CD1-CG1 4.02Å; I316-V322 HydrophobicContact CG1-CG1 3.73Å; I316-V322 WeakPolarHBondContact O-CB 3.43Å; I316-V322 WeakPolarHBondContact O-CG1 3.19Å
317A97Very high97.3Very high0 Ų026 Ų260%015%0.15CC..THydrogen-bonded Turntrans-67.95.6171.500000113.8I313 R314 A315 N319 K323 V358 L359I313-A317 WeakPolarHBondContact O-CB 3.44Å; I313-A317 PolarHBondContact O-N 3.48Å; R314-A317 PolarHBondContact O-N 3.37Å; A315-A317 VanDerWaalsContact C-N 3.28Å; A315-A317 PolarHBondContact O-N 3.43Å; A317-N319 PolarHBondContact O-N 2.97Å; A317-K323 HydrophobicContact CB-CG 4.03Å; A317-K323 WeakPolarHBondContact O-CE 3.25Å; A317-K323 WeakPolarHBondContact O-CG 3.46Å; A317-V358 HydrophobicContact CB-CG1 3.71Å; A317-V358 WeakPolarHBondContact O-CG1 3.45Å; A317-L359 HydrophobicContact CB-CD2 3.91Å
318G92.5Very high97.3Very high43 Ų4329.9 Ų29.944%0.44318%0.175SC..THydrogen-bonded Turntrans-60.1-26.6160.700000113A315 I316A315-G318 PolarHBondContact O-N 3.35Å; I316-G318 PolarHBondContact O-N 3.12Å
319N95.8Very high97.2Very high12 Ų1231.7 Ų31.76%0.06419%0.193CC..SBendtrans-87.5131.9172.3175.7-48.3000110.6N277 C280 I316 A317 D321 V322 K323N277-N319 HydrophobicContact CB-CB 4.46Å; N277-N319 PolarHBondContact O-ND2 3.07Å; C280-N319 HydrophobicContact CB-CB 3.62Å; I316-N319 PolarHBondContact O-N 3.48Å; I316-N319 VanDerWaalsContact O-N 3.12Å; A317-N319 PolarHBondContact O-N 2.97Å; N319-D321 PolarHBondContact O-N 2.98Å; N319-D321 WeakPolarHBondContact OD1-CA 3.28Å; N319-D321 WeakPolarHBondContact OD1-CB 3.39Å; N319-D321 PolarHBondContact OD1-N 3.44Å; N319-V322 HydrophobicContact CB-CB 4.05Å; N319-V322 HydrophobicContact CB-CG2 3.75Å; N319-V322 PolarHBondContact O-N 3.32Å; N319-V322 PolarHBondContact OD1-N 3.32Å; N319-K323 WeakPolarHBondContact O-CG 3.17Å; N319-K323 PolarHBondContact O-N 3.06Å
320D95.8Very high97.1Very high65 Ų6533.4 Ų33.435%0.34821%0.211SC..Hα-helixtrans-67.8-30.7-175.8-86.7-9.6000114.1K323 D324 K363D320-K323 WeakPolarHBondContact OD1-CE 3.33Å; D320-K323 IonicContact OD1-NZ 3.53Å; D320-K323 PolarHBondContact OD1-NZ 2.67Å; D320-D324 PolarHBondContact O-N 3.04Å; D320-K363 WeakPolarHBondContact O-CE 3.41Å; D320-K363 PolarHBondContact O-NZ 3.23Å
321D96.9Very high97.1Very high109 Ų10933.4 Ų33.458%0.58321%0.211SC*.Hα-helixtrans-72.5-38.5174.6-59.7-42000110.2N319 K323 D324 A325N319-D321 PolarHBondContact O-N 2.98Å; N319-D321 WeakPolarHBondContact OD1-CA 3.28Å; N319-D321 WeakPolarHBondContact OD1-CB 3.39Å; N319-D321 PolarHBondContact OD1-N 3.44Å; D321-K323 VanDerWaalsContact C-N 3.33Å; D321-K323 PolarHBondContact O-N 3.42Å; D321-D324 PolarHBondContact O-N 2.98Å; D321-A325 PolarHBondContact O-N 3.4Å
322V97.3Very high97.1Very high0 Ų032.1 Ų32.10%020%0.202CC..Hα-helixtrans-64.8-36.5175.2178.80000111.5C280 C284 I316 N319 D324 A325 V326C280-V322 HydrophobicContact CB-CG2 4.37Å; C284-V322 VanDerWaalsContact SG-CG1 3.58Å; C284-V322 VanDerWaalsContact SG-CG2 3.58Å; I316-V322 HydrophobicContact CB-CG1 4.01Å; I316-V322 HydrophobicContact CD1-CG1 4.02Å; I316-V322 HydrophobicContact CG1-CG1 3.73Å; I316-V322 WeakPolarHBondContact O-CB 3.43Å; I316-V322 WeakPolarHBondContact O-CG1 3.19Å; N319-V322 HydrophobicContact CB-CB 4.05Å; N319-V322 HydrophobicContact CB-CG2 3.75Å; N319-V322 PolarHBondContact O-N 3.32Å; N319-V322 PolarHBondContact OD1-N 3.32Å; V322-D324 VanDerWaalsContact C-N 3.29Å; V322-D324 PolarHBondContact O-N 2.83Å; V322-A325 WeakPolarHBondContact O-CB 3.37Å; V322-A325 PolarHBondContact O-N 3.05Å; V322-V326 HydrophobicContact CG1-CG2 4.32Å; V322-V326 VanDerWaalsContact O-CG2 3.27Å; V322-V326 WeakPolarHBondContact O-CG2 3.45Å; V322-V326 PolarHBondContact O-N 3.4Å
323K98.1Very high97.1Very high6 Ų635.7 Ų35.73%0.02622%0.221CC..Hα-helixtrans-55.6-47.2172.3-68.2175.1-171.4169.40111.6A317 N319 D320 D321 A325 V326 V327 V358 L359 L361 K363A317-K323 HydrophobicContact CB-CG 4.03Å; A317-K323 WeakPolarHBondContact O-CE 3.25Å; A317-K323 WeakPolarHBondContact O-CG 3.46Å; N319-K323 WeakPolarHBondContact O-CG 3.17Å; N319-K323 PolarHBondContact O-N 3.06Å; D320-K323 WeakPolarHBondContact OD1-CE 3.33Å; D320-K323 IonicContact OD1-NZ 3.53Å; D320-K323 PolarHBondContact OD1-NZ 2.67Å; D321-K323 VanDerWaalsContact C-N 3.33Å; D321-K323 PolarHBondContact O-N 3.42Å; K323-A325 VanDerWaalsContact C-N 3.34Å; K323-V326 PolarHBondContact O-N 3.47Å; K323-V327 WeakPolarHBondContact O-CG2 3.21Å; K323-V327 PolarHBondContact O-N 2.9Å; K323-V327 VanDerWaalsContact O-N 3.15Å; K323-V358 WeakPolarHBondContact CD-O 3.3Å; K323-V358 VanDerWaalsContact CE-O 3.24Å; K323-V358 WeakPolarHBondContact CE-O 3.26Å; K323-L359 HydrophobicContact CB-CD2 4.11Å; K323-L359 HydrophobicContact CG-CD2 4.25Å; K323-L361 PolarHBondContact NZ-O 3.38Å; K323-K363 HydrophobicContact CD-CG 4.06Å
324D97.9Very high97Very high47 Ų4737.6 Ų37.625%0.25123%0.231SC..Hα-helixtrans-69.2-37.9-178.8-63.3-12.3000110.2D320 D321 V322 V326 V327 N328 K363 N366D320-D324 PolarHBondContact O-N 3.04Å; D321-D324 PolarHBondContact O-N 2.98Å; V322-D324 VanDerWaalsContact C-N 3.29Å; V322-D324 PolarHBondContact O-N 2.83Å; D324-V326 PolarHBondContact O-N 3.28Å; D324-V327 PolarHBondContact O-N 2.91Å; D324-N328 VanDerWaalsContact O-CB 3.27Å; D324-N328 WeakPolarHBondContact O-CB 3.48Å; D324-N328 PolarHBondContact O-N 3.38Å; D324-N328 PolarHBondContact O-ND2 3.04Å; D324-N328 VanDerWaalsContact O-ND2 3.13Å; D324-K363 WeakPolarHBondContact OD1-CD 2.78Å; D324-K363 WeakPolarHBondContact OD1-CE 3.43Å; D324-K363 IonicContact OD1-NZ 3.66Å; D324-K363 PolarHBondContact OD1-NZ 3.36Å; D324-K363 VanDerWaalsContact OD1-NZ 3.1Å; D324-K363 IonicContact OD2-NZ 2.66Å; D324-K363 PolarHBondContact OD2-NZ 3.34Å; D324-N366 PolarHBondContact OD1-ND2 3.45Å; D324-N366 PolarHBondContact OD1-OD1 3.25Å
325A97.9Very high97.1Very high36 Ų3633.8 Ų33.830%0.29822%0.216SC..Hα-helixtrans-60.2-43.2173.500000112.7L289 D321 V322 K323 V327 N328 A329L289-A325 HydrophobicContact CD2-CB 3.73Å; D321-A325 PolarHBondContact O-N 3.4Å; V322-A325 WeakPolarHBondContact O-CB 3.37Å; V322-A325 PolarHBondContact O-N 3.05Å; K323-A325 VanDerWaalsContact C-N 3.34Å; A325-V327 PolarHBondContact O-N 3.5Å; A325-N328 PolarHBondContact O-N 3.49Å; A325-A329 VanDerWaalsContact O-CB 3.25Å; A325-A329 WeakPolarHBondContact O-CB 3.2Å; A325-A329 PolarHBondContact O-N 3.48Å
326V98Very high97.1Very high0 Ų032.8 Ų32.80%021%0.208CC..Hα-helixtrans-59.9-46.5175.7172.50000110.7L289 I313 V322 K323 D324 A329 G331 L359L289-V326 HydrophobicContact CD1-CG2 3.6Å; L289-V326 HydrophobicContact CD2-CG2 4.15Å; I313-V326 HydrophobicContact CG2-CG1 3.89Å; I313-V326 HydrophobicContact CG2-CG2 3.88Å; V322-V326 HydrophobicContact CG1-CG2 4.32Å; V322-V326 VanDerWaalsContact O-CG2 3.27Å; V322-V326 WeakPolarHBondContact O-CG2 3.45Å; V322-V326 PolarHBondContact O-N 3.4Å; K323-V326 PolarHBondContact O-N 3.47Å; D324-V326 PolarHBondContact O-N 3.28Å; V326-A329 PolarHBondContact O-N 2.8Å; V326-G331 WeakPolarHBondContact O-CA 3.46Å; V326-G331 PolarHBondContact O-N 2.84Å; V326-L359 HydrophobicContact CB-CD2 3.84Å; V326-L359 HydrophobicContact CG1-CD1 3.77Å; V326-L359 HydrophobicContact CG1-CD2 3.83Å; V326-L359 HydrophobicContact CG1-CG 4.45Å; V326-L359 HydrophobicContact CG2-CD2 4.31Å
327V98Very high97Very high13 Ų1336.5 Ų36.58%0.07923%0.227CC..Hα-helixtrans-66.9-46-179.7174.70000111.3K323 D324 A325 A329 G330 V332 N366 V369K323-V327 WeakPolarHBondContact O-CG2 3.21Å; K323-V327 PolarHBondContact O-N 2.9Å; K323-V327 VanDerWaalsContact O-N 3.15Å; D324-V327 PolarHBondContact O-N 2.91Å; A325-V327 PolarHBondContact O-N 3.5Å; V327-A329 PolarHBondContact O-N 3.46Å; V327-G330 PolarHBondContact O-N 3.17Å; V327-V332 HydrophobicContact CG1-CG2 4.5Å; V327-V332 HydrophobicContact CG2-CG2 3.88Å; V327-N366 HydrophobicContact CG2-CB 3.93Å; V327-V369 HydrophobicContact CG1-CB 3.9Å; V327-V369 HydrophobicContact CG1-CG1 3.84Å; V327-V369 HydrophobicContact CG1-CG2 3.84Å
328N96.9Very high97Very high138 Ų13836.5 Ų36.574%0.73823%0.227SC*.Hα-helixtrans-64.3-27.9179.2-69.3-24.9000112.8D324 A325 G330D324-N328 VanDerWaalsContact O-CB 3.27Å; D324-N328 WeakPolarHBondContact O-CB 3.48Å; D324-N328 PolarHBondContact O-N 3.38Å; D324-N328 PolarHBondContact O-ND2 3.04Å; D324-N328 VanDerWaalsContact O-ND2 3.13Å; A325-N328 PolarHBondContact O-N 3.49Å; N328-G330 PolarHBondContact O-N 3.13Å
329A95.8Very high97.3Very high58 Ų5834.5 Ų34.548%0.47921%0.206SC..THydrogen-bonded Turntrans-80.24.4174.400000113.8M293 A325 V326 V327 G331M293-A329 HydrophobicContact CG-CB 4.46Å; A325-A329 VanDerWaalsContact O-CB 3.25Å; A325-A329 WeakPolarHBondContact O-CB 3.2Å; A325-A329 PolarHBondContact O-N 3.48Å; V326-A329 PolarHBondContact O-N 2.8Å; V327-A329 PolarHBondContact O-N 3.46Å; A329-G331 VanDerWaalsContact C-N 3.31Å
330G96.3Very high97.3Very high37 Ų3737.7 Ų37.738%0.38122%0.223SC..THydrogen-bonded Turntrans77.713.8-177.400000114V327 N328 V332 D333V327-G330 PolarHBondContact O-N 3.17Å; N328-G330 PolarHBondContact O-N 3.13Å; G330-V332 PolarHBondContact O-N 2.83Å; G330-D333 PolarHBondContact O-N 3.29Å
331G97.3Very high97.4Very high0 Ų041.2 Ų41.20%023%0.231CC..Hα-helixtrans-61.3-28.5-174.100000114.2M293 V326 A329 D333 L334 I335M293-G331 VanDerWaalsContact SD-CA 3.55Å; V326-G331 WeakPolarHBondContact O-CA 3.46Å; V326-G331 PolarHBondContact O-N 2.84Å; A329-G331 VanDerWaalsContact C-N 3.31Å; G331-D333 PolarHBondContact O-N 3.48Å; G331-L334 PolarHBondContact O-N 3.18Å; G331-I335 VanDerWaalsContact O-CD1 3.32Å; G331-I335 WeakPolarHBondContact O-CD1 3.13Å; G331-I335 WeakPolarHBondContact O-CG1 2.91Å; G331-I335 PolarHBondContact O-N 3.49Å
332V98.4Very high97.4Very high1 Ų137.2 Ų37.21%0.00621%0.209CC..Hα-helixtrans-60.2-46.1177.2174.40000111.6V327 G330 I335 V336 L356 L359 V369 I370 N373V327-V332 HydrophobicContact CG1-CG2 4.5Å; V327-V332 HydrophobicContact CG2-CG2 3.88Å; G330-V332 PolarHBondContact O-N 2.83Å; V332-I335 PolarHBondContact O-N 3.28Å; V332-V336 WeakPolarHBondContact O-CG2 3.25Å; V332-V336 PolarHBondContact O-N 3.01Å; V332-L356 HydrophobicContact CG1-CD2 4.21Å; V332-L359 HydrophobicContact CG2-CD1 4.27Å; V332-V369 HydrophobicContact CB-CG1 4.24Å; V332-V369 HydrophobicContact CG1-CG1 4.42Å; V332-V369 HydrophobicContact CG2-CG1 4.17Å; V332-I370 HydrophobicContact CG1-CB 4.43Å; V332-I370 HydrophobicContact CG1-CG1 4.03Å; V332-I370 HydrophobicContact CG2-CG1 4.03Å; V332-N373 HydrophobicContact CG1-CB 3.83Å
333D97.6Very high97.5Very high75 Ų7538.4 Ų38.440%0.40122%0.215SC..Hα-helixtrans-63.3-46.6179.8-175.240000110.6G330 G331 I335 V336 I337G330-D333 PolarHBondContact O-N 3.29Å; G331-D333 PolarHBondContact O-N 3.48Å; D333-I335 VanDerWaalsContact C-N 3.34Å; D333-I335 PolarHBondContact O-N 3.41Å; D333-V336 PolarHBondContact O-N 3.37Å; D333-V336 VanDerWaalsContact O-N 3.14Å; D333-I337 WeakPolarHBondContact O-CB 3.41Å; D333-I337 VanDerWaalsContact O-CG1 3.3Å; D333-I337 WeakPolarHBondContact O-CG1 3.39Å; D333-I337 PolarHBondContact O-N 3.45Å
334L97.6Very high97.5Very high40 Ų4044.3 Ų44.321%0.20925%0.247CC..Hα-helixtrans-58.8-41.8175.7-65176.8000112.9M293 L296 A297 G331 I337 A338M293-L334 HydrophobicContact CB-CD1 4.21Å; M293-L334 HydrophobicContact SD-CD1 4.21Å; L296-L334 HydrophobicContact CD2-CB 3.74Å; L296-L334 HydrophobicContact CG-CB 4.19Å; A297-L334 HydrophobicContact CB-CD1 4.49Å; A297-L334 HydrophobicContact CB-CD2 4.03Å; G331-L334 PolarHBondContact O-N 3.18Å; L334-I337 PolarHBondContact O-N 2.84Å; L334-A338 VanDerWaalsContact O-CB 3.29Å; L334-A338 WeakPolarHBondContact O-CB 3.5Å; L334-A338 PolarHBondContact O-N 3.03Å
335I98.3Very high97.5Very high0 Ų044.5 Ų44.50%025%0.248CC..Hα-helixtrans-62.6-44.2176.6-67.4159.2000110.6L296 L310 G331 V332 D333 A338 M339 A352 C355 L356 L359L296-I335 HydrophobicContact CD2-CG1 4.15Å; L310-I335 HydrophobicContact CD2-CB 4.19Å; L310-I335 HydrophobicContact CD2-CG1 3.68Å; L310-I335 HydrophobicContact CD2-CG2 3.95Å; G331-I335 VanDerWaalsContact O-CD1 3.32Å; G331-I335 WeakPolarHBondContact O-CD1 3.13Å; G331-I335 WeakPolarHBondContact O-CG1 2.91Å; G331-I335 PolarHBondContact O-N 3.49Å; V332-I335 PolarHBondContact O-N 3.28Å; D333-I335 VanDerWaalsContact C-N 3.34Å; D333-I335 PolarHBondContact O-N 3.41Å; I335-A338 PolarHBondContact O-N 3.12Å; I335-M339 VanDerWaalsContact O-CB 3.27Å; I335-M339 WeakPolarHBondContact O-CB 3.26Å; I335-M339 PolarHBondContact O-N 3Å; I335-A352 HydrophobicContact CG2-CB 3.98Å; I335-C355 HydrophobicContact CD1-CB 4.4Å; I335-C355 VanDerWaalsContact CD1-SG 3.54Å; I335-L356 HydrophobicContact CB-CD2 4.31Å; I335-L356 HydrophobicContact CD1-CD2 4.34Å; I335-L356 HydrophobicContact CG2-CD1 4.26Å; I335-L356 HydrophobicContact CG2-CD2 3.93Å; I335-L356 HydrophobicContact CG2-CG 3.83Å; I335-L359 HydrophobicContact CD1-CD1 3.87Å
336V98.1Very high97.5Very high8 Ų845.1 Ų45.15%0.04825%0.249CC..Hα-helixtrans-67.4-42.7179.5172.80000111.3V332 D333 M339 N340 L356 A378V332-V336 WeakPolarHBondContact O-CG2 3.25Å; V332-V336 PolarHBondContact O-N 3.01Å; D333-V336 PolarHBondContact O-N 3.37Å; D333-V336 VanDerWaalsContact O-N 3.14Å; V336-M339 PolarHBondContact O-N 3.15Å; V336-N340 WeakPolarHBondContact CG1-ND2 3.36Å; V336-N340 WeakPolarHBondContact O-CB 3.24Å; V336-N340 PolarHBondContact O-N 3.29Å; V336-N340 PolarHBondContact O-ND2 3.5Å; V336-L356 HydrophobicContact CG2-CD1 4.36Å; V336-A378 HydrophobicContact CG1-CB 4.21Å
337I96.7Very high97.5Very high79 Ų7946.8 Ų46.841%0.40526%0.263SS..Hα-helixtrans-58.5-50.4174.7-70.2166.6000110.4D333 L334 M339 N340 R341D333-I337 WeakPolarHBondContact O-CB 3.41Å; D333-I337 VanDerWaalsContact O-CG1 3.3Å; D333-I337 WeakPolarHBondContact O-CG1 3.39Å; D333-I337 PolarHBondContact O-N 3.45Å; L334-I337 PolarHBondContact O-N 2.84Å; I337-M339 VanDerWaalsContact C-N 3.34Å; I337-M339 PolarHBondContact O-N 3.07Å; I337-N340 PolarHBondContact O-N 2.84Å; I337-R341 WeakPolarHBondContact O-CB 3.26Å; I337-R341 PolarHBondContact O-N 2.97Å
338A97.1Very high97.5Very high0 Ų046.1 Ų46.10%026%0.259CS..Hα-helixtrans-62.2-41179.900000112.2L296 V306 L334 I335 R341 H342L296-A338 HydrophobicContact CD1-CB 3.75Å; L296-A338 HydrophobicContact CG-CB 4.32Å; V306-A338 HydrophobicContact CG1-CB 3.91Å; L334-A338 VanDerWaalsContact O-CB 3.29Å; L334-A338 WeakPolarHBondContact O-CB 3.5Å; L334-A338 PolarHBondContact O-N 3.03Å; I335-A338 PolarHBondContact O-N 3.12Å; A338-R341 PolarHBondContact O-N 3.07Å; A338-H342 PolarHBondContact O-CD2 3.49Å; A338-H342 PolarHBondContact O-N 2.92Å; A338-H342 VanDerWaalsContact O-N 3.12Å
339M97.6Very high97.6Very high0 Ų039.6 Ų39.60%022%0.224CC..Hα-helixtrans-63-46175.8-175.9174.3178.800112.3I335 V336 I337 H342 I343 C349 A352 C353 A378 A382I335-M339 VanDerWaalsContact O-CB 3.27Å; I335-M339 WeakPolarHBondContact O-CB 3.26Å; I335-M339 PolarHBondContact O-N 3Å; V336-M339 PolarHBondContact O-N 3.15Å; I337-M339 VanDerWaalsContact C-N 3.34Å; I337-M339 PolarHBondContact O-N 3.07Å; M339-H342 CarbonylContact O-C 3.43Å; M339-H342 VanDerWaalsContact O-C 3.29Å; M339-H342 PolarHBondContact O-N 2.95Å; M339-I343 HydrophobicContact CE-CD1 4.42Å; M339-I343 HydrophobicContact CG-CD1 4.41Å; M339-I343 VanDerWaalsContact O-CA 3.28Å; M339-I343 WeakPolarHBondContact O-CA 3.37Å; M339-I343 PolarHBondContact O-N 3.16Å; M339-C349 HydrophobicContact CE-CB 4.21Å; M339-A352 HydrophobicContact CB-CB 3.68Å; M339-A352 HydrophobicContact CG-CB 3.76Å; M339-A352 HydrophobicContact SD-CB 3.62Å; M339-C353 VanDerWaalsContact CE-SG 3.57Å; M339-A378 HydrophobicContact CE-CB 4.4Å; M339-A378 WeakPolarHBondContact CE-O 3.38Å; M339-A378 HydrophobicContact SD-CB 3.89Å; M339-A382 HydrophobicContact CE-CB 3.26Å
340N97.1Very high97.8Very high80 Ų8038.6 Ų38.643%0.42821%0.209SC..Hα-helixtrans-67-38.7179-74.9-31.1000111.8V336 I337 H342 I343V336-N340 WeakPolarHBondContact CG1-ND2 3.36Å; V336-N340 WeakPolarHBondContact O-CB 3.24Å; V336-N340 PolarHBondContact O-N 3.29Å; V336-N340 PolarHBondContact O-ND2 3.5Å; I337-N340 PolarHBondContact O-N 2.84Å; N340-H342 VanDerWaalsContact C-N 3.29Å; N340-H342 PolarHBondContact O-N 3.23Å; N340-I343 PolarHBondContact O-N 3.34Å
341R97.2Very high97.9Very high138 Ų13837.7 Ų37.752%0.52120%0.195SC..Hα-helixtrans-58.4-44.4175177.861.3174.8163.2-2.6111.4Y300 E301 I337 A338Y300-R341 HydrophobicContact CD2-CG 4Å; Y300-R341 HydrophobicContact CE2-CG 4.29Å; E301-R341 IonicContact OE1-CZ 3.37Å; E301-R341 IonicContact OE1-NE 3.28Å; E301-R341 IonicContact OE1-NH2 2.69Å; E301-R341 PolarHBondContact OE1-NH2 3.23Å; E301-R341 IonicContact OE2-CZ 3.1Å; E301-R341 VanDerWaalsContact OE2-CZ 3.26Å; E301-R341 IonicContact OE2-NE 3.8Å; E301-R341 PolarHBondContact OE2-NE 3.43Å; E301-R341 IonicContact OE2-NH2 2.64Å; E301-R341 PolarHBondContact OE2-NH2 3.39Å; I337-R341 WeakPolarHBondContact O-CB 3.26Å; I337-R341 PolarHBondContact O-N 2.97Å; A338-R341 PolarHBondContact O-N 3.07Å
342H97.5Very high97.9Very high25 Ų2537.7 Ų37.712%0.11620%0.195CC..THydrogen-bonded Turntrans-105.533.9-176.6-66.2-67.2000112.7Y300 E301 A338 M339 N340 N344 N345 V348Y300-H342 PolarHBondContact O-CD2 2.96Å; Y300-H342 PolarHBondContact O-NE2 3.37Å; E301-H342 PolarHBondContact O-CE1 2.69Å; A338-H342 PolarHBondContact O-CD2 3.49Å; A338-H342 PolarHBondContact O-N 2.92Å; A338-H342 VanDerWaalsContact O-N 3.12Å; M339-H342 CarbonylContact O-C 3.43Å; M339-H342 VanDerWaalsContact O-C 3.29Å; M339-H342 PolarHBondContact O-N 2.95Å; N340-H342 VanDerWaalsContact C-N 3.29Å; N340-H342 PolarHBondContact O-N 3.23Å; H342-N344 PolarHBondContact O-N 3.5Å; H342-N345 HydrophobicContact CB-CB 4.22Å; H342-N345 WeakPolarHBondContact O-CB 3.33Å; H342-N345 PolarHBondContact O-N 2.86Å; H342-V348 HydrophobicContact CB-CB 3.93Å; H342-V348 HydrophobicContact CB-CG1 3.8Å; H342-V348 HydrophobicContact CB-CG2 4.04Å
343I98.1Very high97.9Very high26 Ų2637.7 Ų37.713%0.13320%0.195CC..THydrogen-bonded Turntrans-61.9-23.7-173.7-161.969.5000112.9M339 N340 N345 C349 Q381 A382 I385 H386M339-I343 HydrophobicContact CE-CD1 4.42Å; M339-I343 HydrophobicContact CG-CD1 4.41Å; M339-I343 VanDerWaalsContact O-CA 3.28Å; M339-I343 WeakPolarHBondContact O-CA 3.37Å; M339-I343 PolarHBondContact O-N 3.16Å; N340-I343 PolarHBondContact O-N 3.34Å; I343-N345 VanDerWaalsContact C-N 3.32Å; I343-C349 PolarHBondContact O-SG 3.39Å; I343-C349 VanDerWaalsContact O-SG 3.41Å; I343-Q381 HydrophobicContact CD1-CG 4.45Å; I343-Q381 HydrophobicContact CG1-CG 4.32Å; I343-A382 HydrophobicContact CD1-CB 3.97Å; I343-I385 HydrophobicContact CB-CD1 4.34Å; I343-I385 HydrophobicContact CG1-CD1 3.42Å; I343-I385 VanDerWaalsContact CG1-CD1 3.42Å; I343-I385 HydrophobicContact CG2-CD1 4.06Å; I343-H386 PolarHBondContact O-NE2 3.46Å
344N98.1Very high98Very high129 Ų12934.1 Ų34.169%0.6918%0.176SC*.THydrogen-bonded Turntrans-83.5-5.8175.6-64.5-37.5000113.4H342 P346 H386H342-N344 PolarHBondContact O-N 3.5Å; N344-P346 WeakPolarHBondContact O-CD 3.46Å; N344-H386 PolarHBondContact O-CE1 3.48Å
345N98.3Very high98Very high51 Ų5132.2 Ų32.227%0.27317%0.166SC..  trans-98.2108.3175-171.6-46.6000109.6H342 I343 A347 V348 C349H342-N345 HydrophobicContact CB-CB 4.22Å; H342-N345 WeakPolarHBondContact O-CB 3.33Å; H342-N345 PolarHBondContact O-N 2.86Å; I343-N345 VanDerWaalsContact C-N 3.32Å; N345-A347 VanDerWaalsContact C-N 3.26Å; N345-A347 PolarHBondContact O-N 3.19Å; N345-A347 WeakPolarHBondContact OD1-CB 3.32Å; N345-A347 PolarHBondContact OD1-N 3.23Å; N345-V348 HydrophobicContact CB-CB 4.3Å; N345-V348 HydrophobicContact CB-CG2 4.17Å; N345-V348 PolarHBondContact O-N 2.92Å; N345-V348 PolarHBondContact OD1-N 3.39Å; N345-C349 PolarHBondContact O-N 2.84Å; N345-C349 VanDerWaalsContact O-N 3.15Å; N345-C349 PolarHBondContact O-SG 3.41Å
346P98.3Very high98Very high49 Ų4932.2 Ų32.232%0.31817%0.166SC..Hα-helixtrans-63.5-32.1-17723.4-32.1000112.6N344 C349 E350 V392N344-P346 WeakPolarHBondContact O-CD 3.46Å; P346-C349 PolarHBondContact O-N 3.43Å; P346-E350 VanDerWaalsContact O-CB 3.32Å; P346-E350 WeakPolarHBondContact O-CB 3.21Å; P346-E350 PolarHBondContact O-N 3.08Å; P346-V392 HydrophobicContact CB-CG2 4.08Å; P346-V392 WeakPolarHBondContact O-CG2 3.07Å
347A98.2Very high98.1Very high35 Ų3531.8 Ų31.829%0.28916%0.164SC..Hα-helixtrans-70.8-35.9-177.900000112.2R307 N345 Q351R307-A347 HydrophobicContact CG-CB 4.47Å; N345-A347 VanDerWaalsContact C-N 3.26Å; N345-A347 PolarHBondContact O-N 3.19Å; N345-A347 WeakPolarHBondContact OD1-CB 3.32Å; N345-A347 PolarHBondContact OD1-N 3.23Å; A347-Q351 WeakPolarHBondContact O-CG 3.28Å; A347-Q351 PolarHBondContact O-N 2.84Å
348V98.3Very high98.1Very high0 Ų029.1 Ų29.10%015%0.151CC..Hα-helixtrans-68.7-45.4172.4176.60000110.4P303 V306 R307 L310 H342 N345 E350 Q351 A352P303-V348 HydrophobicContact CB-CG2 4.1Å; P303-V348 WeakPolarHBondContact O-CG2 3.27Å; V306-V348 HydrophobicContact CG1-CG1 3.78Å; V306-V348 HydrophobicContact CG1-CG2 4.41Å; R307-V348 HydrophobicContact CB-CG2 4.25Å; L310-V348 HydrophobicContact CD1-CG1 4.03Å; H342-V348 HydrophobicContact CB-CB 3.93Å; H342-V348 HydrophobicContact CB-CG1 3.8Å; H342-V348 HydrophobicContact CB-CG2 4.04Å; N345-V348 HydrophobicContact CB-CB 4.3Å; N345-V348 HydrophobicContact CB-CG2 4.17Å; N345-V348 PolarHBondContact O-N 2.92Å; N345-V348 PolarHBondContact OD1-N 3.39Å; V348-E350 VanDerWaalsContact C-N 3.31Å; V348-E350 PolarHBondContact O-N 3.28Å; V348-Q351 PolarHBondContact O-N 2.98Å; V348-A352 WeakPolarHBondContact O-CB 3.24Å; V348-A352 PolarHBondContact O-N 3.2Å
349C98.6Very high98.2Very high0 Ų029.1 Ų29.10%015%0.151CC..Hα-helixtrans-59.1-42.4177.2-66.50000112.3M339 I343 N345 P346 A352 C353 A382 V392M339-C349 HydrophobicContact CE-CB 4.21Å; I343-C349 PolarHBondContact O-SG 3.39Å; I343-C349 VanDerWaalsContact O-SG 3.41Å; N345-C349 PolarHBondContact O-N 2.84Å; N345-C349 VanDerWaalsContact O-N 3.15Å; N345-C349 PolarHBondContact O-SG 3.41Å; P346-C349 PolarHBondContact O-N 3.43Å; C349-A352 PolarHBondContact O-N 3.35Å; C349-C353 WeakPolarHBondContact O-CB 3.33Å; C349-C353 PolarHBondContact O-N 3.5Å; C349-C353 PolarHBondContact O-SG 3.15Å; C349-A382 HydrophobicContact CB-CB 3.89Å; C349-V392 HydrophobicContact CB-CG1 4.33Å; C349-V392 HydrophobicContact CB-CG2 4.1Å
350E98.4Very high98.2Very high37 Ų3729.1 Ų29.117%0.17315%0.151CC..Hα-helixtrans-56.7-53.6174.6178.7-167.7145.500110.8P346 V348 A352 C353 A354 N391 V392 Q395P346-E350 VanDerWaalsContact O-CB 3.32Å; P346-E350 WeakPolarHBondContact O-CB 3.21Å; P346-E350 PolarHBondContact O-N 3.08Å; V348-E350 VanDerWaalsContact C-N 3.31Å; V348-E350 PolarHBondContact O-N 3.28Å; E350-A352 PolarHBondContact O-N 3.42Å; E350-C353 PolarHBondContact O-N 2.95Å; E350-A354 VanDerWaalsContact O-CB 3.26Å; E350-A354 WeakPolarHBondContact O-CB 3.37Å; E350-A354 PolarHBondContact O-N 2.73Å; E350-N391 HydrophobicContact CB-CB 4.5Å; E350-N391 HydrophobicContact CG-CB 3.71Å; E350-N391 WeakPolarHBondContact OE2-CB 3.32Å; E350-N391 PolarHBondContact OE2-ND2 3.41Å; E350-N391 VanDerWaalsContact OE2-ND2 3.08Å; E350-V392 HydrophobicContact CB-CG2 4.12Å; E350-Q395 HydrophobicContact CG-CG 3.99Å
351Q98.4Very high98.2Very high19 Ų1927.4 Ų27.49%0.08914%0.141CC..Hα-helixtrans-68.4-35.4-177.3-65.6-51.8-46.500112.4R307 L310 A347 V348 A354 C355R307-Q351 HydrophobicContact CG-CG 3.74Å; L310-Q351 HydrophobicContact CB-CB 3.84Å; L310-Q351 HydrophobicContact CD1-CB 4.35Å; A347-Q351 WeakPolarHBondContact O-CG 3.28Å; A347-Q351 PolarHBondContact O-N 2.84Å; V348-Q351 PolarHBondContact O-N 2.98Å; Q351-A354 PolarHBondContact O-N 3.35Å; Q351-C355 VanDerWaalsContact O-CB 3.25Å; Q351-C355 WeakPolarHBondContact O-CB 3.4Å; Q351-C355 PolarHBondContact O-N 3.04Å
352A98.6Very high98.1Very high0 Ų028 Ų280%014%0.144CC..Hα-helixtrans-64.1-50.7175.500000111.4L310 I335 M339 V348 C349 E350 A354 C355 L356L310-A352 HydrophobicContact CD1-CB 4.01Å; I335-A352 HydrophobicContact CG2-CB 3.98Å; M339-A352 HydrophobicContact CB-CB 3.68Å; M339-A352 HydrophobicContact CG-CB 3.76Å; M339-A352 HydrophobicContact SD-CB 3.62Å; V348-A352 WeakPolarHBondContact O-CB 3.24Å; V348-A352 PolarHBondContact O-N 3.2Å; C349-A352 PolarHBondContact O-N 3.35Å; E350-A352 PolarHBondContact O-N 3.42Å; A352-A354 VanDerWaalsContact C-N 3.29Å; A352-A354 PolarHBondContact O-N 2.89Å; A352-C355 PolarHBondContact O-N 2.93Å; A352-L356 WeakPolarHBondContact O-CG 3.32Å; A352-L356 PolarHBondContact O-N 3.03Å
353C98.8Very high98Very high0 Ų028.4 Ų28.40%015%0.145CC..Hα-helixtrans-57.3-43.5174.3-77.40000111.6M339 C349 E350 S357 Q395M339-C353 VanDerWaalsContact CE-SG 3.57Å; C349-C353 WeakPolarHBondContact O-CB 3.33Å; C349-C353 PolarHBondContact O-N 3.5Å; C349-C353 PolarHBondContact O-SG 3.15Å; E350-C353 PolarHBondContact O-N 2.95Å; C353-S357 WeakPolarHBondContact O-CB 3.24Å; C353-S357 PolarHBondContact O-N 3.46Å; C353-Q395 HydrophobicContact CB-CB 3.69Å
354A98.6Very high97.9Very high0 Ų030.1 Ų30.10%016%0.158CC..Hα-helixtrans-65.2-40.8179.200000112.3E350 Q351 A352 S357 V358 Q395E350-A354 VanDerWaalsContact O-CB 3.26Å; E350-A354 WeakPolarHBondContact O-CB 3.37Å; E350-A354 PolarHBondContact O-N 2.73Å; Q351-A354 PolarHBondContact O-N 3.35Å; A352-A354 VanDerWaalsContact C-N 3.29Å; A352-A354 PolarHBondContact O-N 2.89Å; A354-S357 WeakPolarHBondContact O-CB 3.48Å; A354-S357 PolarHBondContact O-N 2.7Å; A354-V358 WeakPolarHBondContact O-CG2 3.5Å; A354-V358 PolarHBondContact O-N 2.99Å; A354-V358 VanDerWaalsContact O-N 3.12Å; A354-Q395 HydrophobicContact CB-CB 4.27Å; A354-Q395 HydrophobicContact CB-CG 3.87Å
355C98.4Very high97.8Very high0 Ų030.1 Ų30.10%016%0.158CC..Hα-helixtrans-63.2-52.3176.2-169.60000110.9I313 R314 I335 Q351 A352 S357 V358 L359I313-C355 VanDerWaalsContact CG2-SG 3.59Å; R314-C355 HydrophobicContact CB-CB 4.09Å; I335-C355 HydrophobicContact CD1-CB 4.4Å; I335-C355 VanDerWaalsContact CD1-SG 3.54Å; Q351-C355 VanDerWaalsContact O-CB 3.25Å; Q351-C355 WeakPolarHBondContact O-CB 3.4Å; Q351-C355 PolarHBondContact O-N 3.04Å; A352-C355 PolarHBondContact O-N 2.93Å; C355-S357 VanDerWaalsContact C-N 3.25Å; C355-S357 PolarHBondContact O-N 2.67Å; C355-V358 PolarHBondContact O-N 3.1Å; C355-V358 VanDerWaalsContact O-N 3.16Å; C355-L359 WeakPolarHBondContact O-CG 3.44Å; C355-L359 PolarHBondContact O-N 3.26Å
356L98.7Very high97.7Very high0 Ų028 Ų280%015%0.146CC..Hα-helixtrans-58-39176.2-66.3174.7000111.8V332 I335 V336 A352 V358 L359 A360 I370 L399V332-L356 HydrophobicContact CG1-CD2 4.21Å; I335-L356 HydrophobicContact CB-CD2 4.31Å; I335-L356 HydrophobicContact CD1-CD2 4.34Å; I335-L356 HydrophobicContact CG2-CD1 4.26Å; I335-L356 HydrophobicContact CG2-CD2 3.93Å; I335-L356 HydrophobicContact CG2-CG 3.83Å; V336-L356 HydrophobicContact CG2-CD1 4.36Å; A352-L356 WeakPolarHBondContact O-CG 3.32Å; A352-L356 PolarHBondContact O-N 3.03Å; L356-V358 VanDerWaalsContact C-N 3.34Å; L356-V358 PolarHBondContact O-N 3.04Å; L356-L359 PolarHBondContact O-N 3.23Å; L356-A360 WeakPolarHBondContact O-CB 3.45Å; L356-A360 PolarHBondContact O-N 3.26Å; L356-I370 HydrophobicContact CD2-CG1 4.19Å; L356-I370 HydrophobicContact CD2-CG2 4.37Å; L356-I370 WeakPolarHBondContact O-CD1 3.26Å; L356-L399 HydrophobicContact CB-CD1 3.82Å; L356-L399 HydrophobicContact CB-CD2 3.85Å; L356-L399 HydrophobicContact CB-CG 4.46Å; L356-L399 HydrophobicContact CD1-CD2 4.11Å
357S98.5Very high97.7Very high0 Ų025.8 Ų25.80%013%0.133CC..Hα-helixtrans-60.7-42.1178.1176.20000112.3C353 A354 C355 L361 M398 N402C353-S357 WeakPolarHBondContact O-CB 3.24Å; C353-S357 PolarHBondContact O-N 3.46Å; A354-S357 WeakPolarHBondContact O-CB 3.48Å; A354-S357 PolarHBondContact O-N 2.7Å; C355-S357 VanDerWaalsContact C-N 3.25Å; C355-S357 PolarHBondContact O-N 2.67Å; S357-L361 PolarHBondContact O-N 3.4Å; S357-L361 VanDerWaalsContact O-N 3.17Å; S357-M398 WeakPolarHBondContact OG-CE 3.43Å; S357-M398 VanDerWaalsContact OG-CG 3.22Å; S357-M398 WeakPolarHBondContact OG-CG 3.36Å; S357-N402 PolarHBondContact O-ND2 3.22Å; S357-N402 PolarHBondContact OG-ND2 3.34Å
358V98.2Very high97.6Very high22 Ų2229.1 Ų29.113%0.13314%0.14CC..Hα-helixtrans-68-42.2176.3170.60000111.1R314 A317 K323 A354 C355 L356 A360 L361R314-V358 HydrophobicContact CG-CB 4.48Å; R314-V358 HydrophobicContact CG-CG2 3.9Å; A317-V358 HydrophobicContact CB-CG1 3.71Å; A317-V358 WeakPolarHBondContact O-CG1 3.45Å; K323-V358 WeakPolarHBondContact CD-O 3.3Å; K323-V358 VanDerWaalsContact CE-O 3.24Å; K323-V358 WeakPolarHBondContact CE-O 3.26Å; A354-V358 WeakPolarHBondContact O-CG2 3.5Å; A354-V358 PolarHBondContact O-N 2.99Å; A354-V358 VanDerWaalsContact O-N 3.12Å; C355-V358 PolarHBondContact O-N 3.1Å; C355-V358 VanDerWaalsContact O-N 3.16Å; L356-V358 VanDerWaalsContact C-N 3.34Å; L356-V358 PolarHBondContact O-N 3.04Å; V358-A360 VanDerWaalsContact C-N 3.3Å; V358-A360 PolarHBondContact O-N 3.18Å; V358-L361 WeakPolarHBondContact O-CB 3.24Å; V358-L361 PolarHBondContact O-N 2.95Å
359L98.3Very high97.6Very high0 Ų031 Ų310%015%0.152CC..Hα-helixtrans-63.1-35.1177.5-64.7177.1000112.5A317 K323 V326 V332 I335 C355 L356 N366 I370A317-L359 HydrophobicContact CB-CD2 3.91Å; K323-L359 HydrophobicContact CB-CD2 4.11Å; K323-L359 HydrophobicContact CG-CD2 4.25Å; V326-L359 HydrophobicContact CB-CD2 3.84Å; V326-L359 HydrophobicContact CG1-CD1 3.77Å; V326-L359 HydrophobicContact CG1-CD2 3.83Å; V326-L359 HydrophobicContact CG1-CG 4.45Å; V326-L359 HydrophobicContact CG2-CD2 4.31Å; V332-L359 HydrophobicContact CG2-CD1 4.27Å; I335-L359 HydrophobicContact CD1-CD1 3.87Å; C355-L359 WeakPolarHBondContact O-CG 3.44Å; C355-L359 PolarHBondContact O-N 3.26Å; L356-L359 PolarHBondContact O-N 3.23Å; L359-N366 VanDerWaalsContact O-CB 3.24Å; L359-N366 WeakPolarHBondContact O-CB 3.47Å; L359-N366 PolarHBondContact O-ND2 3.34Å; L359-I370 HydrophobicContact CB-CD1 4.09Å
360A97.9Very high97.6Very high1 Ų131 Ų311%0.00815%0.152CC..Hα-helixtrans-74-27.4175.900000113.3L356 V358 R362 K363 C367 I370 L399 N402 L403L356-A360 WeakPolarHBondContact O-CB 3.45Å; L356-A360 PolarHBondContact O-N 3.26Å; V358-A360 VanDerWaalsContact C-N 3.3Å; V358-A360 PolarHBondContact O-N 3.18Å; A360-R362 PolarHBondContact O-N 3.17Å; A360-K363 PolarHBondContact O-N 3.28Å; A360-K363 VanDerWaalsContact O-N 3.12Å; A360-C367 PolarHBondContact O-SG 3Å; A360-C367 VanDerWaalsContact O-SG 3.38Å; A360-I370 HydrophobicContact CB-CD1 3.82Å; A360-L399 HydrophobicContact CB-CD1 4.29Å; A360-N402 HydrophobicContact CB-CB 4.01Å; A360-L403 HydrophobicContact CB-CD2 3.92Å; A360-L403 HydrophobicContact CB-CG 4.39Å
361L97.1Very high97.5Very high43 Ų4329.9 Ų29.923%0.22515%0.148CC..THydrogen-bonded Turntrans-61.9112-169.8-179.664.1000111.6K323 S357 V358 K363K323-L361 PolarHBondContact NZ-O 3.38Å; S357-L361 PolarHBondContact O-N 3.4Å; S357-L361 VanDerWaalsContact O-N 3.17Å; V358-L361 WeakPolarHBondContact O-CB 3.24Å; V358-L361 PolarHBondContact O-N 2.95Å; L361-K363 PolarHBondContact O-N 3.05Å
362R95.1Very high97.5Very high152 Ų15235 Ų3557%0.57417%0.172SC*.THydrogen-bonded Turntrans64.218.3179.4-60.3-179.7-92.8178.9-6.2114.3A360A360-R362 PolarHBondContact O-N 3.17Å
363K96.1Very high97.4Very high32 Ų3237.9 Ų37.914%0.13919%0.187CC..  trans-126.483.3-176.9-66.8-73.2-1661620111.7D320 K323 D324 A360 L361 N365 N366 C367D320-K363 WeakPolarHBondContact O-CE 3.41Å; D320-K363 PolarHBondContact O-NZ 3.23Å; K323-K363 HydrophobicContact CD-CG 4.06Å; D324-K363 WeakPolarHBondContact OD1-CD 2.78Å; D324-K363 WeakPolarHBondContact OD1-CE 3.43Å; D324-K363 IonicContact OD1-NZ 3.66Å; D324-K363 PolarHBondContact OD1-NZ 3.36Å; D324-K363 VanDerWaalsContact OD1-NZ 3.1Å; D324-K363 IonicContact OD2-NZ 2.66Å; D324-K363 PolarHBondContact OD2-NZ 3.34Å; A360-K363 PolarHBondContact O-N 3.28Å; A360-K363 VanDerWaalsContact O-N 3.12Å; L361-K363 PolarHBondContact O-N 3.05Å; K363-N365 VanDerWaalsContact C-N 3.27Å; K363-N365 PolarHBondContact O-N 3.06Å; K363-N366 HydrophobicContact CB-CB 3.76Å; K363-N366 WeakPolarHBondContact CB-ND2 3.26Å; K363-N366 WeakPolarHBondContact O-CB 3.32Å; K363-N366 PolarHBondContact O-N 3.18Å; K363-C367 PolarHBondContact O-N 3.02Å; K363-C367 PolarHBondContact O-SG 2.88Å
364P95.2Very high97.4Very high63 Ų6338.8 Ų38.841%0.40920%0.196SC..Hα-helixtrans-60.7-32.4-175.823.8-33.7000113.9C367 K368P364-C367 WeakPolarHBondContact O-CB 3.4Å; P364-C367 PolarHBondContact O-N 3.45Å; P364-K368 PolarHBondContact O-N 2.92Å; P364-K368 VanDerWaalsContact O-N 3.12Å
365N95.5Very high97.3Very high128 Ų12838.8 Ų38.868%0.68420%0.196SC*.Hα-helixtrans-63.8-42.6173.9-67-17.7000111.4K363 C367 K368 V369K363-N365 VanDerWaalsContact C-N 3.27Å; K363-N365 PolarHBondContact O-N 3.06Å; N365-C367 VanDerWaalsContact C-N 3.34Å; N365-K368 WeakPolarHBondContact O-CB 3.36Å; N365-K368 PolarHBondContact O-N 3.18Å; N365-V369 PolarHBondContact O-N 2.91Å
366N97.4Very high97.3Very high6 Ų638.9 Ų38.93%0.03220%0.197CC..Hα-helixtrans-67.5-37.6177-60.1-1.2000110.7D324 V327 L359 K363 K368 V369 I370D324-N366 PolarHBondContact OD1-ND2 3.45Å; D324-N366 PolarHBondContact OD1-OD1 3.25Å; V327-N366 HydrophobicContact CG2-CB 3.93Å; L359-N366 VanDerWaalsContact O-CB 3.24Å; L359-N366 WeakPolarHBondContact O-CB 3.47Å; L359-N366 PolarHBondContact O-ND2 3.34Å; K363-N366 HydrophobicContact CB-CB 3.76Å; K363-N366 WeakPolarHBondContact CB-ND2 3.26Å; K363-N366 WeakPolarHBondContact O-CB 3.32Å; K363-N366 PolarHBondContact O-N 3.18Å; N366-K368 VanDerWaalsContact C-N 3.27Å; N366-K368 PolarHBondContact O-N 3.41Å; N366-V369 PolarHBondContact O-N 3.08Å; N366-I370 VanDerWaalsContact O-CG1 3.26Å; N366-I370 WeakPolarHBondContact O-CG1 3.31Å; N366-I370 PolarHBondContact O-N 3.24Å
367C97.2Very high97.3Very high4 Ų443.3 Ų43.33%0.02722%0.22CC..Hα-helixtrans-55.9-43173-60.60000111.9A360 K363 P364 N365 I370 V371 L403 Y410A360-C367 PolarHBondContact O-SG 3Å; A360-C367 VanDerWaalsContact O-SG 3.38Å; K363-C367 PolarHBondContact O-N 3.02Å; K363-C367 PolarHBondContact O-SG 2.88Å; P364-C367 WeakPolarHBondContact O-CB 3.4Å; P364-C367 PolarHBondContact O-N 3.45Å; N365-C367 VanDerWaalsContact C-N 3.34Å; C367-I370 PolarHBondContact O-N 3.4Å; C367-V371 VanDerWaalsContact O-CG2 3.31Å; C367-V371 WeakPolarHBondContact O-CG2 3.47Å; C367-V371 PolarHBondContact O-N 3.12Å; C367-L403 HydrophobicContact CB-CD2 3.69Å; C367-Y410 HydrophobicContact CB-CE2 4.19Å
368K96.6Very high97.3Very high104 Ų10443.4 Ų43.445%0.45222%0.22SC..Hα-helixtrans-57.9-51176.1-177.8-176.3169.5-176.10111.1P364 N365 N366 I370 V371 E372 Y410P364-K368 PolarHBondContact O-N 2.92Å; P364-K368 VanDerWaalsContact O-N 3.12Å; N365-K368 WeakPolarHBondContact O-CB 3.36Å; N365-K368 PolarHBondContact O-N 3.18Å; N366-K368 VanDerWaalsContact C-N 3.27Å; N366-K368 PolarHBondContact O-N 3.41Å; K368-I370 VanDerWaalsContact C-N 3.31Å; K368-I370 PolarHBondContact O-N 2.95Å; K368-V371 PolarHBondContact O-N 3.19Å; K368-E372 VanDerWaalsContact CE-CD 3.46Å; K368-E372 WeakPolarHBondContact CE-OE1 3.48Å; K368-E372 HydrophobicContact CG-CG 4.35Å; K368-E372 IonicContact NZ-OE1 3.63Å; K368-E372 WeakPolarHBondContact O-CB 3.46Å; K368-E372 WeakPolarHBondContact O-CG 3.49Å; K368-E372 PolarHBondContact O-N 3.4Å; K368-Y410 VanDerWaalsContact CA-OH 3.32Å; K368-Y410 WeakPolarHBondContact CA-OH 3.44Å; K368-Y410 WeakPolarHBondContact CB-OH 3.18Å
369V98.1Very high97.3Very high41 Ų4142.3 Ų42.325%0.24821%0.214CC..Hα-helixtrans-62.2-37.3179.8-178.50000112V327 V332 N365 N366 N373V327-V369 HydrophobicContact CG1-CB 3.9Å; V327-V369 HydrophobicContact CG1-CG1 3.84Å; V327-V369 HydrophobicContact CG1-CG2 3.84Å; V332-V369 HydrophobicContact CB-CG1 4.24Å; V332-V369 HydrophobicContact CG1-CG1 4.42Å; V332-V369 HydrophobicContact CG2-CG1 4.17Å; N365-V369 PolarHBondContact O-N 2.91Å; N366-V369 PolarHBondContact O-N 3.08Å; V369-N373 WeakPolarHBondContact CG1-ND2 3.36Å; V369-N373 WeakPolarHBondContact O-CB 3.22Å; V369-N373 PolarHBondContact O-N 2.89Å; V369-N373 PolarHBondContact O-ND2 2.95Å
370I98.3Very high97.3Very high0 Ų042.4 Ų42.40%021%0.214CC..Hα-helixtrans-64.5-42.8176-67164.5000111.7V332 L356 L359 A360 N366 C367 K368 G375 L399 L403V332-I370 HydrophobicContact CG1-CB 4.43Å; V332-I370 HydrophobicContact CG1-CG1 4.03Å; V332-I370 HydrophobicContact CG2-CG1 4.03Å; L356-I370 HydrophobicContact CD2-CG1 4.19Å; L356-I370 HydrophobicContact CD2-CG2 4.37Å; L356-I370 WeakPolarHBondContact O-CD1 3.26Å; L359-I370 HydrophobicContact CB-CD1 4.09Å; A360-I370 HydrophobicContact CB-CD1 3.82Å; N366-I370 VanDerWaalsContact O-CG1 3.26Å; N366-I370 WeakPolarHBondContact O-CG1 3.31Å; N366-I370 PolarHBondContact O-N 3.24Å; C367-I370 PolarHBondContact O-N 3.4Å; K368-I370 VanDerWaalsContact C-N 3.31Å; K368-I370 PolarHBondContact O-N 2.95Å; I370-G375 WeakPolarHBondContact O-CA 3.48Å; I370-G375 PolarHBondContact O-N 3.32Å; I370-L399 HydrophobicContact CG2-CD1 4.41Å; I370-L403 HydrophobicContact CB-CD2 4.16Å; I370-L403 HydrophobicContact CD1-CD2 4.41Å; I370-L403 HydrophobicContact CG2-CD1 4.43Å; I370-L403 HydrophobicContact CG2-CD2 4.05Å
371V97.3Very high97.4Very high13 Ų1346.4 Ų46.48%0.07923%0.232CC..Hα-helixtrans-68.5-45.4178.6174.20000110.7C367 K368 N373 G374 V376 L403 Y410C367-V371 VanDerWaalsContact O-CG2 3.31Å; C367-V371 WeakPolarHBondContact O-CG2 3.47Å; C367-V371 PolarHBondContact O-N 3.12Å; K368-V371 PolarHBondContact O-N 3.19Å; V371-N373 VanDerWaalsContact C-N 3.31Å; V371-N373 PolarHBondContact O-N 3.48Å; V371-G374 PolarHBondContact O-N 3.04Å; V371-G374 VanDerWaalsContact O-N 3.08Å; V371-V376 HydrophobicContact CG2-CG2 3.91Å; V371-L403 HydrophobicContact CG2-CD2 4.33Å; V371-Y410 HydrophobicContact CB-CD1 4.37Å; V371-Y410 HydrophobicContact CB-CE1 4.31Å; V371-Y410 HydrophobicContact CG1-CD1 3.95Å; V371-Y410 HydrophobicContact CG1-CE1 4.16Å; V371-Y410 HydrophobicContact CG2-CD1 4.02Å; V371-Y410 HydrophobicContact CG2-CD2 3.92Å; V371-Y410 HydrophobicContact CG2-CE1 4.23Å; V371-Y410 HydrophobicContact CG2-CE2 4.09Å; V371-Y410 HydrophobicContact CG2-CG 3.88Å
372E96.9Very high97.4Very high127 Ų12744.3 Ų44.359%0.59322%0.222SC*.Hα-helixtrans-63-34.6-179.4-73175.7160.400112.7K368 G374K368-E372 VanDerWaalsContact CE-CD 3.46Å; K368-E372 WeakPolarHBondContact CE-OE1 3.48Å; K368-E372 HydrophobicContact CG-CG 4.35Å; K368-E372 IonicContact NZ-OE1 3.63Å; K368-E372 WeakPolarHBondContact O-CB 3.46Å; K368-E372 WeakPolarHBondContact O-CG 3.49Å; K368-E372 PolarHBondContact O-N 3.4Å; E372-G374 VanDerWaalsContact C-N 3.27Å; E372-G374 PolarHBondContact O-N 2.92Å
373N97.8Very high97.6Very high59 Ų5937.1 Ų37.132%0.31619%0.194SC..THydrogen-bonded Turntrans-86.413.5175.6-68.8-50.1000113.8V332 V369 V371 G375V332-N373 HydrophobicContact CG1-CB 3.83Å; V369-N373 WeakPolarHBondContact CG1-ND2 3.36Å; V369-N373 WeakPolarHBondContact O-CB 3.22Å; V369-N373 PolarHBondContact O-N 2.89Å; V369-N373 PolarHBondContact O-ND2 2.95Å; V371-N373 VanDerWaalsContact C-N 3.31Å; V371-N373 PolarHBondContact O-N 3.48Å; N373-G375 VanDerWaalsContact C-N 3.33Å; N373-G375 PolarHBondContact O-N 3.45Å
374G97.6Very high97.7Very high19 Ų1940.1 Ų40.120%0.19621%0.207CC..THydrogen-bonded Turntrans74.315.9174.500000115.5V371 E372 V376 I377 A378V371-G374 PolarHBondContact O-N 3.04Å; V371-G374 VanDerWaalsContact O-N 3.08Å; E372-G374 VanDerWaalsContact C-N 3.27Å; E372-G374 PolarHBondContact O-N 2.92Å; G374-V376 PolarHBondContact O-N 2.95Å; G374-I377 WeakPolarHBondContact O-CB 3.37Å; G374-I377 PolarHBondContact O-N 3.43Å; G374-A378 PolarHBondContact O-N 3.3Å
375G98.1Very high97.9Very high0 Ų040.1 Ų40.10%020%0.203CC..Hα-helixtrans-60.2-32.118000000113.7I370 N373 A379I370-G375 WeakPolarHBondContact O-CA 3.48Å; I370-G375 PolarHBondContact O-N 3.32Å; N373-G375 VanDerWaalsContact C-N 3.33Å; N373-G375 PolarHBondContact O-N 3.45Å; G375-A379 WeakPolarHBondContact O-CB 3.47Å; G375-A379 PolarHBondContact O-N 3.03Å
376V97.9Very high98Very high2 Ų235.1 Ų35.11%0.01218%0.176CC..Hα-helixtrans-64.3-45172.8177.60000111.3V371 G374 A378 A379 V380 L403 I414 L417V371-V376 HydrophobicContact CG2-CG2 3.91Å; G374-V376 PolarHBondContact O-N 2.95Å; V376-A378 VanDerWaalsContact C-N 3.35Å; V376-A379 PolarHBondContact O-N 3.32Å; V376-V380 HydrophobicContact CG1-CG2 4.43Å; V376-V380 WeakPolarHBondContact O-CG2 3.41Å; V376-V380 PolarHBondContact O-N 3.01Å; V376-L403 HydrophobicContact CG2-CD1 3.53Å; V376-I414 HydrophobicContact CG1-CB 4.44Å; V376-I414 HydrophobicContact CG1-CG1 3.61Å; V376-I414 HydrophobicContact CG2-CG1 4.29Å; V376-L417 HydrophobicContact CB-CD1 4.46Å; V376-L417 HydrophobicContact CG1-CD1 3.58Å
377I98.4Very high98Very high94 Ų9438.2 Ų38.248%0.48219%0.192SC..Hα-helixtrans-63.6-46.1-177.9-60.7171000109.1G374 A379 V380 Q381 L417G374-I377 WeakPolarHBondContact O-CB 3.37Å; G374-I377 PolarHBondContact O-N 3.43Å; I377-A379 PolarHBondContact O-N 2.91Å; I377-V380 PolarHBondContact O-N 3.14Å; I377-Q381 WeakPolarHBondContact O-CB 3.42Å; I377-Q381 PolarHBondContact O-N 2.99Å; I377-L417 HydrophobicContact CG1-CD1 3.91Å; I377-L417 HydrophobicContact CG1-CD2 4.23Å
378A98.4Very high97.9Very high1 Ų141.3 Ų41.31%0.00822%0.224CC..Hα-helixtrans-59.6-45.6176.200000112V336 M339 G374 V376 Q381 A382V336-A378 HydrophobicContact CG1-CB 4.21Å; M339-A378 HydrophobicContact CE-CB 4.4Å; M339-A378 WeakPolarHBondContact CE-O 3.38Å; M339-A378 HydrophobicContact SD-CB 3.89Å; G374-A378 PolarHBondContact O-N 3.3Å; V376-A378 VanDerWaalsContact C-N 3.35Å; A378-Q381 PolarHBondContact O-N 3.43Å; A378-A382 PolarHBondContact O-N 3.48Å
379A98.6Very high98Very high0 Ų037.7 Ų37.70%021%0.212CC..Hα-helixtrans-61.6-47.417800000112.9G375 V376 I377 Q381 A382 M383 L399G375-A379 WeakPolarHBondContact O-CB 3.47Å; G375-A379 PolarHBondContact O-N 3.03Å; V376-A379 PolarHBondContact O-N 3.32Å; I377-A379 PolarHBondContact O-N 2.91Å; A379-Q381 VanDerWaalsContact C-N 3.3Å; A379-Q381 PolarHBondContact O-N 3.29Å; A379-A382 PolarHBondContact O-N 3.44Å; A379-M383 WeakPolarHBondContact O-CG 3.41Å; A379-M383 PolarHBondContact O-N 3.49Å; A379-L399 HydrophobicContact CB-CD2 3.78Å
380V98.5Very high98Very high2 Ų237.8 Ų37.81%0.01221%0.213CC..Hα-helixtrans-63.3-38.5176.9169.20000111V376 I377 M383 K384 L417 A419 L422V376-V380 HydrophobicContact CG1-CG2 4.43Å; V376-V380 WeakPolarHBondContact O-CG2 3.41Å; V376-V380 PolarHBondContact O-N 3.01Å; I377-V380 PolarHBondContact O-N 3.14Å; V380-M383 WeakPolarHBondContact O-CB 3.43Å; V380-M383 PolarHBondContact O-N 3.38Å; V380-K384 HydrophobicContact CG1-CD 4.39Å; V380-K384 WeakPolarHBondContact O-CG 3.28Å; V380-K384 PolarHBondContact O-N 3.3Å; V380-L417 HydrophobicContact CG1-CB 4.17Å; V380-L417 WeakPolarHBondContact CG1-O 3.41Å; V380-L417 HydrophobicContact CG2-CB 4.32Å; V380-A419 HydrophobicContact CG2-CB 4.2Å; V380-L422 HydrophobicContact CG1-CD1 3.76Å
381Q98.5Very high98Very high84 Ų8440.9 Ų40.939%0.39323%0.229SC..Hα-helixtrans-65.8-41.7176.5-174.360.118.900112.2I343 I377 A378 A379 M383 K384 I385I343-Q381 HydrophobicContact CD1-CG 4.45Å; I343-Q381 HydrophobicContact CG1-CG 4.32Å; I377-Q381 WeakPolarHBondContact O-CB 3.42Å; I377-Q381 PolarHBondContact O-N 2.99Å; A378-Q381 PolarHBondContact O-N 3.43Å; A379-Q381 VanDerWaalsContact C-N 3.3Å; A379-Q381 PolarHBondContact O-N 3.29Å; Q381-M383 VanDerWaalsContact C-N 3.32Å; Q381-M383 PolarHBondContact O-N 3.15Å; Q381-K384 WeakPolarHBondContact O-CB 3.33Å; Q381-K384 PolarHBondContact O-N 3.31Å; Q381-I385 HydrophobicContact CG-CD1 4.01Å; Q381-I385 PolarHBondContact O-N 3.48Å
382A98.6Very high98Very high0 Ų040.2 Ų40.20%023%0.226CC..Hα-helixtrans-62.8-38.4173.700000112.2M339 I343 C349 A378 A379 K384 I385 H386 V392M339-A382 HydrophobicContact CE-CB 3.26Å; I343-A382 HydrophobicContact CD1-CB 3.97Å; C349-A382 HydrophobicContact CB-CB 3.89Å; A378-A382 PolarHBondContact O-N 3.48Å; A379-A382 PolarHBondContact O-N 3.44Å; A382-K384 VanDerWaalsContact C-N 3.31Å; A382-K384 PolarHBondContact O-N 2.92Å; A382-I385 PolarHBondContact O-N 3.13Å; A382-H386 WeakPolarHBondContact O-CB 3.39Å; A382-H386 PolarHBondContact O-N 3.18Å; A382-V392 HydrophobicContact CB-CG1 4Å
383M98.6Very high98.1Very high0 Ų034.3 Ų34.30%020%0.198CC..Hα-helixtrans-60.6-40.6173.4-69.7178.781.800111.9A379 V380 Q381 L387 Q393 A396 I400 L422 I423A379-M383 WeakPolarHBondContact O-CG 3.41Å; A379-M383 PolarHBondContact O-N 3.49Å; V380-M383 WeakPolarHBondContact O-CB 3.43Å; V380-M383 PolarHBondContact O-N 3.38Å; Q381-M383 VanDerWaalsContact C-N 3.32Å; Q381-M383 PolarHBondContact O-N 3.15Å; M383-L387 WeakPolarHBondContact O-CD2 3.47Å; M383-Q393 PolarHBondContact O-NE2 3.12Å; M383-A396 HydrophobicContact CE-CB 4.47Å; M383-A396 HydrophobicContact CG-CB 3.4Å; M383-A396 HydrophobicContact SD-CB 3.48Å; M383-A396 WeakPolarHBondContact SD-CB 3.49Å; M383-I400 HydrophobicContact SD-CD1 4.18Å; M383-L422 HydrophobicContact CB-CD1 4.17Å; M383-L422 HydrophobicContact CE-CB 3.95Å; M383-I423 HydrophobicContact CE-CG1 4Å
384K98.4Very high98.2Very high95 Ų9535 Ų3541%0.41320%0.198SC..Hα-helixtrans-65.1-41.4177.8-71.2171.4-177173.20112.6V380 Q381 A382 L417 L422V380-K384 HydrophobicContact CG1-CD 4.39Å; V380-K384 WeakPolarHBondContact O-CG 3.28Å; V380-K384 PolarHBondContact O-N 3.3Å; Q381-K384 WeakPolarHBondContact O-CB 3.33Å; Q381-K384 PolarHBondContact O-N 3.31Å; A382-K384 VanDerWaalsContact C-N 3.31Å; A382-K384 PolarHBondContact O-N 2.92Å; K384-L417 PolarHBondContact NZ-O 3.18Å; K384-L417 VanDerWaalsContact NZ-O 3.09Å; K384-L422 HydrophobicContact CD-CD1 4.43Å; K384-L422 HydrophobicContact CG-CD1 3.7Å; K384-L422 HydrophobicContact CG-CD2 3.94Å; K384-L422 HydrophobicContact CG-CG 4.44Å
385I98.5Very high98.2Very high63 Ų6335.1 Ų35.132%0.32319%0.193SC..Hα-helixtrans-75.3-39.9-178.4-68.5164.3000111.1I343 Q381 A382I343-I385 HydrophobicContact CB-CD1 4.34Å; I343-I385 HydrophobicContact CG1-CD1 3.42Å; I343-I385 VanDerWaalsContact CG1-CD1 3.42Å; I343-I385 HydrophobicContact CG2-CD1 4.06Å; Q381-I385 HydrophobicContact CG-CD1 4.01Å; Q381-I385 PolarHBondContact O-N 3.48Å; A382-I385 PolarHBondContact O-N 3.13Å
386H98Very high98.2Very high23 Ų2335.1 Ų35.111%0.10619%0.193CC..  trans-110.453-171.5-60.9-66.3000113.3I343 N344 A382 G388 S389 V392 Q393I343-H386 PolarHBondContact O-NE2 3.46Å; N344-H386 PolarHBondContact O-CE1 3.48Å; A382-H386 WeakPolarHBondContact O-CB 3.39Å; A382-H386 PolarHBondContact O-N 3.18Å; H386-G388 PolarHBondContact O-N 3.05Å; H386-S389 PolarHBondContact O-N 3.32Å; H386-V392 HydrophobicContact CB-CB 4.24Å; H386-V392 HydrophobicContact CB-CG1 4.19Å; H386-V392 HydrophobicContact CB-CG2 4.23Å; H386-Q393 PolarHBondContact O-NE2 3.44Å
387L96.9Very high98.3Very high72 Ų7235 Ų3538%0.37719%0.193SC..THydrogen-bonded Turntrans-55.8-37.3180-66170.8000113.1M383 L422 H430M383-L387 WeakPolarHBondContact O-CD2 3.47Å; L387-L422 HydrophobicContact CD2-CD2 4.07Å; L387-H430 PolarHBondContact O-NE2 3.33Å
388G96.4Very high98.3Very high68 Ų6833.3 Ų33.370%0.70118%0.183SC*.THydrogen-bonded Turntrans-80.7-9.9178.600000114.9H386 V390H386-G388 PolarHBondContact O-N 3.05Å; G388-V390 PolarHBondContact O-N 3.04Å
389S98Very high98.3Very high28 Ų2833.3 Ų33.320%0.19618%0.183CC..  trans-89.595.5-178.5-1730000111H386 N391 V392 Q393H386-S389 PolarHBondContact O-N 3.32Å; S389-N391 PolarHBondContact O-N 2.91Å; S389-N391 VanDerWaalsContact O-N 3.15Å; S389-V392 PolarHBondContact O-N 3.02Å; S389-V392 VanDerWaalsContact O-N 3.13Å; S389-V392 WeakPolarHBondContact OG-CG2 3.4Å; S389-Q393 WeakPolarHBondContact O-CG 3.45Å; S389-Q393 PolarHBondContact O-N 2.9Å; S389-Q393 VanDerWaalsContact O-N 3.14Å
390V97.9Very high98.3Very high44 Ų4433.3 Ų33.327%0.26718%0.184SC..Hα-helixtrans-49.7-41.5179.863.40000112.8G388 Q393 K394 H430 D432G388-V390 PolarHBondContact O-N 3.04Å; V390-Q393 PolarHBondContact O-N 3.45Å; V390-K394 VanDerWaalsContact O-CB 3.26Å; V390-K394 WeakPolarHBondContact O-CB 3.36Å; V390-K394 PolarHBondContact O-N 3.31Å; V390-H430 HydrophobicContact CB-CB 4.43Å; V390-H430 HydrophobicContact CG2-CB 3.82Å; V390-D432 HydrophobicContact CG2-CB 3.72Å
391N98.2Very high98.2Very high64 Ų6436.8 Ų36.834%0.34220%0.196SC..Hα-helixtrans-71.2-39.9-177-67.9-22000112.5E350 S389 Q393 K394 Q395E350-N391 HydrophobicContact CB-CB 4.5Å; E350-N391 HydrophobicContact CG-CB 3.71Å; E350-N391 WeakPolarHBondContact OE2-CB 3.32Å; E350-N391 PolarHBondContact OE2-ND2 3.41Å; E350-N391 VanDerWaalsContact OE2-ND2 3.08Å; S389-N391 PolarHBondContact O-N 2.91Å; S389-N391 VanDerWaalsContact O-N 3.15Å; N391-Q393 VanDerWaalsContact C-N 3.33Å; N391-Q393 PolarHBondContact O-N 2.93Å; N391-K394 PolarHBondContact O-N 3.37Å; N391-Q395 WeakPolarHBondContact O-CB 3.42Å; N391-Q395 VanDerWaalsContact O-CG 3.26Å; N391-Q395 WeakPolarHBondContact O-CG 3.48Å; N391-Q395 PolarHBondContact O-N 3.38Å
392V98.7Very high98.2Very high0 Ų033.3 Ų33.30%018%0.18CC..Hα-helixtrans-60.7-47.2175.1175.10000109.9P346 C349 E350 A382 H386 S389 K394 Q395 A396P346-V392 HydrophobicContact CB-CG2 4.08Å; P346-V392 WeakPolarHBondContact O-CG2 3.07Å; C349-V392 HydrophobicContact CB-CG1 4.33Å; C349-V392 HydrophobicContact CB-CG2 4.1Å; E350-V392 HydrophobicContact CB-CG2 4.12Å; A382-V392 HydrophobicContact CB-CG1 4Å; H386-V392 HydrophobicContact CB-CB 4.24Å; H386-V392 HydrophobicContact CB-CG1 4.19Å; H386-V392 HydrophobicContact CB-CG2 4.23Å; S389-V392 PolarHBondContact O-N 3.02Å; S389-V392 VanDerWaalsContact O-N 3.13Å; S389-V392 WeakPolarHBondContact OG-CG2 3.4Å; V392-K394 PolarHBondContact O-N 3.23Å; V392-Q395 PolarHBondContact O-N 3.12Å; V392-A396 VanDerWaalsContact O-CB 3.28Å; V392-A396 WeakPolarHBondContact O-CB 3.47Å; V392-A396 PolarHBondContact O-N 3.17Å
393Q98.6Very high98.1Very high2 Ų233.3 Ų33.31%0.00918%0.18CC..Hα-helixtrans-59.7-48.2178.3-60.2-57-35.800111.2M383 H386 S389 V390 N391 Q395 A396 C397 A426M383-Q393 PolarHBondContact O-NE2 3.12Å; H386-Q393 PolarHBondContact O-NE2 3.44Å; S389-Q393 WeakPolarHBondContact O-CG 3.45Å; S389-Q393 PolarHBondContact O-N 2.9Å; S389-Q393 VanDerWaalsContact O-N 3.14Å; V390-Q393 PolarHBondContact O-N 3.45Å; N391-Q393 VanDerWaalsContact C-N 3.33Å; N391-Q393 PolarHBondContact O-N 2.93Å; Q393-Q395 PolarHBondContact O-N 3.36Å; Q393-A396 PolarHBondContact O-N 2.94Å; Q393-C397 WeakPolarHBondContact O-CB 3.35Å; Q393-C397 PolarHBondContact O-N 3.07Å; Q393-C397 PolarHBondContact O-SG 3.24Å; Q393-A426 HydrophobicContact CB-CB 3.87Å; Q393-A426 HydrophobicContact CG-CB 4.15Å
394K98.4Very high98Very high73 Ų7333.3 Ų33.332%0.31718%0.18SC..Hα-helixtrans-59.4-48.5-179.9-173.9176.2-173.3167.30112.1V390 N391 V392 C397 M398 D432 I436V390-K394 VanDerWaalsContact O-CB 3.26Å; V390-K394 WeakPolarHBondContact O-CB 3.36Å; V390-K394 PolarHBondContact O-N 3.31Å; N391-K394 PolarHBondContact O-N 3.37Å; V392-K394 PolarHBondContact O-N 3.23Å; K394-C397 PolarHBondContact O-N 2.97Å; K394-M398 WeakPolarHBondContact O-CB 3.44Å; K394-M398 PolarHBondContact O-N 3.37Å; K394-D432 IonicContact NZ-OD2 3.13Å; K394-I436 HydrophobicContact CG-CG2 4.12Å
395Q98.6Very high97.6Very high22 Ų2230.6 Ų30.610%0.10318%0.176CC..Hα-helixtrans-69.6-37.4-178.7-62.9-57.3-27.500112.2E350 C353 A354 N391 V392 Q393 M398 L399E350-Q395 HydrophobicContact CG-CG 3.99Å; C353-Q395 HydrophobicContact CB-CB 3.69Å; A354-Q395 HydrophobicContact CB-CB 4.27Å; A354-Q395 HydrophobicContact CB-CG 3.87Å; N391-Q395 WeakPolarHBondContact O-CB 3.42Å; N391-Q395 VanDerWaalsContact O-CG 3.26Å; N391-Q395 WeakPolarHBondContact O-CG 3.48Å; N391-Q395 PolarHBondContact O-N 3.38Å; V392-Q395 PolarHBondContact O-N 3.12Å; Q393-Q395 PolarHBondContact O-N 3.36Å; Q395-M398 PolarHBondContact O-N 3Å; Q395-L399 PolarHBondContact O-N 3.49Å
396A98.6Very high97.1Very high0 Ų035.8 Ų35.80%019%0.191CC..Hα-helixtrans-66.4-42.8174.900000112M383 V392 Q393 M398 L399 I400M383-A396 HydrophobicContact CE-CB 4.47Å; M383-A396 HydrophobicContact CG-CB 3.4Å; M383-A396 HydrophobicContact SD-CB 3.48Å; M383-A396 WeakPolarHBondContact SD-CB 3.49Å; V392-A396 VanDerWaalsContact O-CB 3.28Å; V392-A396 WeakPolarHBondContact O-CB 3.47Å; V392-A396 PolarHBondContact O-N 3.17Å; Q393-A396 PolarHBondContact O-N 2.94Å; A396-M398 VanDerWaalsContact C-N 3.29Å; A396-M398 PolarHBondContact O-N 3.49Å; A396-L399 PolarHBondContact O-N 2.93Å; A396-I400 WeakPolarHBondContact O-CG1 3.26Å; A396-I400 PolarHBondContact O-N 3.28Å
397C98.5Very high96.5Very high0 Ų035.7 Ų35.70%019%0.192CC..Hα-helixtrans-57.5-43.5171.9-67.90000111.4Q393 K394 I400 R401 I436Q393-C397 WeakPolarHBondContact O-CB 3.35Å; Q393-C397 PolarHBondContact O-N 3.07Å; Q393-C397 PolarHBondContact O-SG 3.24Å; K394-C397 PolarHBondContact O-N 2.97Å; C397-I400 PolarHBondContact O-N 3.39Å; C397-R401 VanDerWaalsContact O-CB 3.28Å; C397-R401 WeakPolarHBondContact O-CB 3.48Å; C397-R401 PolarHBondContact O-N 3.32Å; C397-I436 HydrophobicContact CB-CG1 4.2Å; C397-I436 HydrophobicContact CB-CG2 4.13Å
398M98.6Very high96Very high58 Ų5839.1 Ų39.129%0.28620%0.2SC..Hα-helixtrans-64.2-43178.6-167-175.9157.700112.2S357 K394 Q395 A396 N402 I436S357-M398 WeakPolarHBondContact OG-CE 3.43Å; S357-M398 VanDerWaalsContact OG-CG 3.22Å; S357-M398 WeakPolarHBondContact OG-CG 3.36Å; K394-M398 WeakPolarHBondContact O-CB 3.44Å; K394-M398 PolarHBondContact O-N 3.37Å; Q395-M398 PolarHBondContact O-N 3Å; A396-M398 VanDerWaalsContact C-N 3.29Å; A396-M398 PolarHBondContact O-N 3.49Å; M398-N402 WeakPolarHBondContact O-CB 3.5Å; M398-N402 VanDerWaalsContact O-CG 3.24Å; M398-N402 PolarHBondContact O-N 2.92Å; M398-N402 PolarHBondContact O-ND2 3.13Å; M398-I436 HydrophobicContact CB-CD1 4.15Å; M398-I436 HydrophobicContact CB-CG1 3.94Å; M398-I436 HydrophobicContact CG-CD1 4.14Å; M398-I436 HydrophobicContact CG-CG1 4.43Å
399L98.6Very high95.7Very high1 Ų142.7 Ų42.71%0.00520%0.204CC..Hα-helixtrans-58.8-54173.8169.858.2000110.9L356 A360 I370 A379 Q395 A396 R401 N402 L403L356-L399 HydrophobicContact CB-CD1 3.82Å; L356-L399 HydrophobicContact CB-CD2 3.85Å; L356-L399 HydrophobicContact CB-CG 4.46Å; L356-L399 HydrophobicContact CD1-CD2 4.11Å; A360-L399 HydrophobicContact CB-CD1 4.29Å; I370-L399 HydrophobicContact CG2-CD1 4.41Å; A379-L399 HydrophobicContact CB-CD2 3.78Å; Q395-L399 PolarHBondContact O-N 3.49Å; A396-L399 PolarHBondContact O-N 2.93Å; L399-R401 VanDerWaalsContact C-N 3.32Å; L399-R401 PolarHBondContact O-N 3.44Å; L399-N402 PolarHBondContact O-N 3.47Å; L399-L403 HydrophobicContact CD1-CD1 3.81Å; L399-L403 HydrophobicContact CD1-CD2 4.31Å; L399-L403 HydrophobicContact CD1-CG 3.86Å; L399-L403 HydrophobicContact CG-CD1 3.99Å; L399-L403 HydrophobicContact CG-CG 4.44Å; L399-L403 WeakPolarHBondContact O-CG 3.41Å; L399-L403 PolarHBondContact O-N 2.9Å
400I98.4Very high95.5Very high1 Ų143.1 Ų43.11%0.00520%0.201CC..Hα-helixtrans-55.8-50.2-179.3-71167.1000110M383 A396 C397 N402 L403 V404 I414 A419 I423 A440 L444M383-I400 HydrophobicContact SD-CD1 4.18Å; A396-I400 WeakPolarHBondContact O-CG1 3.26Å; A396-I400 PolarHBondContact O-N 3.28Å; C397-I400 PolarHBondContact O-N 3.39Å; I400-N402 VanDerWaalsContact C-N 3.3Å; I400-N402 PolarHBondContact O-N 2.91Å; I400-L403 PolarHBondContact O-N 3.09Å; I400-L403 VanDerWaalsContact O-N 3.17Å; I400-V404 WeakPolarHBondContact O-CG2 3.18Å; I400-V404 PolarHBondContact O-N 2.91Å; I400-V404 VanDerWaalsContact O-N 3.15Å; I400-I414 HydrophobicContact CG2-CG2 3.98Å; I400-A419 HydrophobicContact CD1-CB 4.24Å; I400-I423 HydrophobicContact CD1-CD1 4.13Å; I400-I423 HydrophobicContact CG2-CD1 4.31Å; I400-A440 HydrophobicContact CG2-CB 4.47Å; I400-L444 HydrophobicContact CG2-CD1 3.87Å; I400-L444 HydrophobicContact CG2-CD2 4.26Å; I400-L444 HydrophobicContact CG2-CG 4.17Å
401R97.7Very high95.3Very high74 Ų7441.6 Ų41.628%0.27919%0.192SC..Hα-helixtrans-53.9-47.2176.6-175.5-90.4165.7172.69.7111.5C397 L399 L403 V404 A405 A439 A440 D443C397-R401 VanDerWaalsContact O-CB 3.28Å; C397-R401 WeakPolarHBondContact O-CB 3.48Å; C397-R401 PolarHBondContact O-N 3.32Å; L399-R401 VanDerWaalsContact C-N 3.32Å; L399-R401 PolarHBondContact O-N 3.44Å; R401-L403 PolarHBondContact O-N 2.9Å; R401-V404 PolarHBondContact O-N 3.24Å; R401-A405 WeakPolarHBondContact O-CB 3.43Å; R401-A405 PolarHBondContact O-N 3.09Å; R401-A439 HydrophobicContact CG-CB 4.25Å; R401-A440 HydrophobicContact CB-CB 3.91Å; R401-D443 WeakPolarHBondContact CG-OD2 3.45Å; R401-D443 IonicContact NE-OD2 3.22Å; R401-D443 PolarHBondContact NE-OD2 3.01Å; R401-D443 VanDerWaalsContact NE-OD2 3.13Å
402N97.6Very high95.2Very high11 Ų1145 Ų456%0.05921%0.206CC..Hα-helixtrans-67.4-34.9-177.9-73.4-13.7000112.6S357 A360 M398 L399 I400S357-N402 PolarHBondContact O-ND2 3.22Å; S357-N402 PolarHBondContact OG-ND2 3.34Å; A360-N402 HydrophobicContact CB-CB 4.01Å; M398-N402 WeakPolarHBondContact O-CB 3.5Å; M398-N402 VanDerWaalsContact O-CG 3.24Å; M398-N402 PolarHBondContact O-N 2.92Å; M398-N402 PolarHBondContact O-ND2 3.13Å; L399-N402 PolarHBondContact O-N 3.47Å; I400-N402 VanDerWaalsContact C-N 3.3Å; I400-N402 PolarHBondContact O-N 2.91Å
403L97.3Very high95Very high0 Ų048.6 Ų48.60%022%0.223CC..Hα-helixtrans-64.6-42.1176.6-69.7172000112.2A360 C367 I370 V371 V376 L399 I400 R401A360-L403 HydrophobicContact CB-CD2 3.92Å; A360-L403 HydrophobicContact CB-CG 4.39Å; C367-L403 HydrophobicContact CB-CD2 3.69Å; I370-L403 HydrophobicContact CB-CD2 4.16Å; I370-L403 HydrophobicContact CD1-CD2 4.41Å; I370-L403 HydrophobicContact CG2-CD1 4.43Å; I370-L403 HydrophobicContact CG2-CD2 4.05Å; V371-L403 HydrophobicContact CG2-CD2 4.33Å; V376-L403 HydrophobicContact CG2-CD1 3.53Å; L399-L403 HydrophobicContact CD1-CD1 3.81Å; L399-L403 HydrophobicContact CD1-CD2 4.31Å; L399-L403 HydrophobicContact CD1-CG 3.86Å; L399-L403 HydrophobicContact CG-CD1 3.99Å; L399-L403 HydrophobicContact CG-CG 4.44Å; L399-L403 WeakPolarHBondContact O-CG 3.41Å; L399-L403 PolarHBondContact O-N 2.9Å; I400-L403 PolarHBondContact O-N 3.09Å; I400-L403 VanDerWaalsContact O-N 3.17Å; R401-L403 PolarHBondContact O-N 2.9Å
404V95.5Very high94.9Very high0 Ų048.5 Ų48.50%022%0.222CC..Hα-helixtrans-94.4-19-173.2-58.70000114.7I400 R401 R406 T407 I414 D443 L444I400-V404 WeakPolarHBondContact O-CG2 3.18Å; I400-V404 PolarHBondContact O-N 2.91Å; I400-V404 VanDerWaalsContact O-N 3.15Å; R401-V404 PolarHBondContact O-N 3.24Å; V404-R406 PolarHBondContact O-N 3.22Å; V404-R406 VanDerWaalsContact O-N 3.09Å; V404-T407 PolarHBondContact O-N 2.95Å; V404-I414 HydrophobicContact CG1-CD1 3.36Å; V404-D443 HydrophobicContact CG2-CB 3.71Å; V404-L444 HydrophobicContact CG1-CD2 3.93Å; V404-L444 HydrophobicContact CG2-CD2 4.26Å; V404-L444 HydrophobicContact CG2-CG 4.28Å
405A91.5Very high94.9Very high38 Ų3847.6 Ų47.631%0.31422%0.221SC..SBendtrans-56.6-31.6-176.200000114.1R401R401-A405 WeakPolarHBondContact O-CB 3.43Å; R401-A405 PolarHBondContact O-N 3.09Å
406R87.7Confident94.8Very high172 Ų17253.1 Ų53.165%0.64925%0.247SC*.SBendtrans-121.40.5177.3-63.6-176178.8-176.6-4.1113.7V404V404-R406 PolarHBondContact O-N 3.22Å; V404-R406 VanDerWaalsContact O-N 3.09Å
407T84.1Confident94.7Very high21 Ų2155.3 Ų55.313%0.12926%0.258CS..  trans-142.486.8-175.9-390000110.6V404 N409 Y410V404-T407 PolarHBondContact O-N 2.95Å; T407-N409 HydrophobicContact CG2-CB 4.47Å; T407-N409 PolarHBondContact O-N 3.13Å; T407-Y410 HydrophobicContact CG2-CD2 3.74Å; T407-Y410 HydrophobicContact CG2-CE2 3.26Å
408R87.7Confident94.6Very high144 Ų14456.8 Ų56.854%0.54327%0.273SS..G310 helixtrans-68.1-16.3-177.4-66.4-70.6-172.2156.65113.9Y410 C411 D443R408-Y410 PolarHBondContact O-N 3.04Å; R408-Y410 VanDerWaalsContact O-N 3.09Å; R408-C411 WeakPolarHBondContact O-CB 3.26Å; R408-C411 PolarHBondContact O-N 3.09Å; R408-C411 PolarHBondContact O-SG 3.15Å; R408-C411 VanDerWaalsContact O-SG 3.33Å; R408-D443 PolarHBondContact NH1-O 3.43Å
409N90.4Very high94.6Very high144 Ų14454 Ų5477%0.7726%0.259SS*.G310 helixtrans-62.3-20.5-176.4-60.9-3.6000113.3T407T407-N409 HydrophobicContact CG2-CB 4.47Å; T407-N409 PolarHBondContact O-N 3.13Å
410Y92.9Very high94.5Very high36 Ų3658 Ų5814%0.14128%0.278CS..G310 helixtrans-91.1-9.6179-48.9-47.9000113.4C367 K368 V371 T407 R408 Q412 Q413 I414C367-Y410 HydrophobicContact CB-CE2 4.19Å; K368-Y410 VanDerWaalsContact CA-OH 3.32Å; K368-Y410 WeakPolarHBondContact CA-OH 3.44Å; K368-Y410 WeakPolarHBondContact CB-OH 3.18Å; V371-Y410 HydrophobicContact CB-CD1 4.37Å; V371-Y410 HydrophobicContact CB-CE1 4.31Å; V371-Y410 HydrophobicContact CG1-CD1 3.95Å; V371-Y410 HydrophobicContact CG1-CE1 4.16Å; V371-Y410 HydrophobicContact CG2-CD1 4.02Å; V371-Y410 HydrophobicContact CG2-CD2 3.92Å; V371-Y410 HydrophobicContact CG2-CE1 4.23Å; V371-Y410 HydrophobicContact CG2-CE2 4.09Å; V371-Y410 HydrophobicContact CG2-CG 3.88Å; T407-Y410 HydrophobicContact CG2-CD2 3.74Å; T407-Y410 HydrophobicContact CG2-CE2 3.26Å; R408-Y410 PolarHBondContact O-N 3.04Å; R408-Y410 VanDerWaalsContact O-N 3.09Å; Y410-Q412 PolarHBondContact O-N 3.41Å; Y410-Q413 PolarHBondContact O-N 2.98Å; Y410-I414 WeakPolarHBondContact O-CB 3.28Å; Y410-I414 WeakPolarHBondContact O-CD1 3.39Å; Y410-I414 VanDerWaalsContact O-CG1 3.26Å; Y410-I414 WeakPolarHBondContact O-CG1 3.49Å; Y410-I414 PolarHBondContact O-N 3.36Å
411C94.7Very high94.5Very high13 Ų1361.2 Ų61.29%0.08831%0.305CS..Hα-helixtrans-57.4-50.5-174.8-68.30000111.8R408 Q413 I414 L415 L444R408-C411 WeakPolarHBondContact O-CB 3.26Å; R408-C411 PolarHBondContact O-N 3.09Å; R408-C411 PolarHBondContact O-SG 3.15Å; R408-C411 VanDerWaalsContact O-SG 3.33Å; C411-Q413 PolarHBondContact O-N 3.44Å; C411-I414 PolarHBondContact O-N 3.06Å; C411-L415 WeakPolarHBondContact O-CB 3.34Å; C411-L415 VanDerWaalsContact O-CG 3.22Å; C411-L415 WeakPolarHBondContact O-CG 3.39Å; C411-L415 PolarHBondContact O-N 2.92Å; C411-L444 HydrophobicContact CB-CD2 4.31Å
412Q95Very high94.5Very high134 Ų13458.4 Ų58.463%0.62630%0.295SS*.Hα-helixtrans-59.5-49-178.5-178.4176.9-6.500111.5Y410 I414 L415 E416Y410-Q412 PolarHBondContact O-N 3.41Å; Q412-I414 VanDerWaalsContact C-N 3.32Å; Q412-I414 PolarHBondContact O-N 3.36Å; Q412-L415 PolarHBondContact O-N 3.19Å; Q412-E416 HydrophobicContact CG-CG 4.42Å; Q412-E416 VanDerWaalsContact CG-OE1 3.26Å; Q412-E416 WeakPolarHBondContact CG-OE1 3.48Å; Q412-E416 PolarHBondContact NE2-OE1 3.4Å; Q412-E416 WeakPolarHBondContact O-CG 3.48Å; Q412-E416 PolarHBondContact O-N 2.8Å
413Q95.4Very high94.5Very high76 Ų7657.9 Ų57.936%0.35529%0.293SS..Hα-helixtrans-58.1-42.7177.6-178.3-172.9-800112Y410 C411 L417Y410-Q413 PolarHBondContact O-N 2.98Å; C411-Q413 PolarHBondContact O-N 3.44Å; Q413-L417 WeakPolarHBondContact O-CG 3.41Å; Q413-L417 PolarHBondContact O-N 2.94Å
414I96.6Very high94.5Very high0 Ų059.9 Ų59.90%031%0.306CS..Hα-helixtrans-66.3-40.6178.7-68.9160.8000111.1V376 I400 V404 Y410 C411 Q412 L417 A419 L444V376-I414 HydrophobicContact CG1-CB 4.44Å; V376-I414 HydrophobicContact CG1-CG1 3.61Å; V376-I414 HydrophobicContact CG2-CG1 4.29Å; I400-I414 HydrophobicContact CG2-CG2 3.98Å; V404-I414 HydrophobicContact CG1-CD1 3.36Å; Y410-I414 WeakPolarHBondContact O-CB 3.28Å; Y410-I414 WeakPolarHBondContact O-CD1 3.39Å; Y410-I414 VanDerWaalsContact O-CG1 3.26Å; Y410-I414 WeakPolarHBondContact O-CG1 3.49Å; Y410-I414 PolarHBondContact O-N 3.36Å; C411-I414 PolarHBondContact O-N 3.06Å; Q412-I414 VanDerWaalsContact C-N 3.32Å; Q412-I414 PolarHBondContact O-N 3.36Å; I414-L417 PolarHBondContact O-N 3.23Å; I414-A419 HydrophobicContact CG2-CB 3.51Å; I414-A419 VanDerWaalsContact O-CB 3.25Å; I414-A419 WeakPolarHBondContact O-CB 3.18Å; I414-A419 PolarHBondContact O-N 3.38Å; I414-L444 HydrophobicContact CB-CD2 3.97Å; I414-L444 HydrophobicContact CD1-CD2 4.36Å; I414-L444 HydrophobicContact CG2-CD1 4.31Å; I414-L444 HydrophobicContact CG2-CD2 3.71Å
415L97.2Very high94.6Very high55 Ų5563.7 Ų63.729%0.28832%0.324SS..Hα-helixtrans-65.4-42177.8-69170.6000111.8C411 Q412 L417 G418 E420 L444 C446C411-L415 WeakPolarHBondContact O-CB 3.34Å; C411-L415 VanDerWaalsContact O-CG 3.22Å; C411-L415 WeakPolarHBondContact O-CG 3.39Å; C411-L415 PolarHBondContact O-N 2.92Å; Q412-L415 PolarHBondContact O-N 3.19Å; L415-L417 PolarHBondContact O-N 2.93Å; L415-G418 WeakPolarHBondContact O-CA 3.34Å; L415-G418 PolarHBondContact O-N 2.92Å; L415-E420 HydrophobicContact CD2-CB 3.9Å; L415-L444 HydrophobicContact CD2-CB 4.32Å; L415-L444 HydrophobicContact CD2-CD1 4.29Å; L415-L444 HydrophobicContact CG-CD2 4.46Å; L415-C446 VanDerWaalsContact CD2-SG 3.52Å
416E96.9Very high94.9Very high137 Ų13762 Ų6264%0.6431%0.31SS*.Hα-helixtrans-61.9-25.1177.7-73.8170.6-177.900113Q412 G418Q412-E416 HydrophobicContact CG-CG 4.42Å; Q412-E416 VanDerWaalsContact CG-OE1 3.26Å; Q412-E416 WeakPolarHBondContact CG-OE1 3.48Å; Q412-E416 PolarHBondContact NE2-OE1 3.4Å; Q412-E416 WeakPolarHBondContact O-CG 3.48Å; Q412-E416 PolarHBondContact O-N 2.8Å; E416-G418 PolarHBondContact O-N 3.45Å
417L96.9Very high95.3Very high47 Ų4755.2 Ų55.225%0.24629%0.288CS..THydrogen-bonded Turntrans-75.9-6.3173.5-66.4169.3000113.8V376 I377 V380 K384 Q413 I414 L415V376-L417 HydrophobicContact CB-CD1 4.46Å; V376-L417 HydrophobicContact CG1-CD1 3.58Å; I377-L417 HydrophobicContact CG1-CD1 3.91Å; I377-L417 HydrophobicContact CG1-CD2 4.23Å; V380-L417 HydrophobicContact CG1-CB 4.17Å; V380-L417 WeakPolarHBondContact CG1-O 3.41Å; V380-L417 HydrophobicContact CG2-CB 4.32Å; K384-L417 PolarHBondContact NZ-O 3.18Å; K384-L417 VanDerWaalsContact NZ-O 3.09Å; Q413-L417 WeakPolarHBondContact O-CG 3.41Å; Q413-L417 PolarHBondContact O-N 2.94Å; I414-L417 PolarHBondContact O-N 3.23Å; L415-L417 PolarHBondContact O-N 2.93Å
418G96.5Very high95.8Very high30 Ų3062 Ų6231%0.30932%0.318SS..THydrogen-bonded Turntrans8820-17900000114.2L415 E416 E420L415-G418 WeakPolarHBondContact O-CA 3.34Å; L415-G418 PolarHBondContact O-N 2.92Å; E416-G418 PolarHBondContact O-N 3.45Å; G418-E420 VanDerWaalsContact C-N 3.32Å; G418-E420 PolarHBondContact O-N 3.35Å
419A97.3Very high96.1Very high0 Ų059.4 Ų59.40%032%0.318CS..Hα-helixtrans-61.4-36.3-176.100000113.4V380 I400 I414 A421 L422 I423V380-A419 HydrophobicContact CG2-CB 4.2Å; I400-A419 HydrophobicContact CD1-CB 4.24Å; I414-A419 HydrophobicContact CG2-CB 3.51Å; I414-A419 VanDerWaalsContact O-CB 3.25Å; I414-A419 WeakPolarHBondContact O-CB 3.18Å; I414-A419 PolarHBondContact O-N 3.38Å; A419-A421 PolarHBondContact O-N 3.27Å; A419-L422 PolarHBondContact O-N 2.92Å; A419-I423 HydrophobicContact CB-CD1 4.37Å; A419-I423 WeakPolarHBondContact O-CD1 3.49Å; A419-I423 WeakPolarHBondContact O-CG1 3.25Å; A419-I423 PolarHBondContact O-N 3.49Å
420E97.8Very high96.3Very high84 Ų8454 Ų5439%0.39329%0.288SS..Hα-helixtrans-57.1-50.7-179.4176170.1-165.500112.2L415 G418 L422 I423 C424 L441 C446L415-E420 HydrophobicContact CD2-CB 3.9Å; G418-E420 VanDerWaalsContact C-N 3.32Å; G418-E420 PolarHBondContact O-N 3.35Å; E420-L422 VanDerWaalsContact C-N 3.31Å; E420-L422 PolarHBondContact O-N 2.99Å; E420-I423 PolarHBondContact O-N 3.43Å; E420-C424 WeakPolarHBondContact O-CB 3.22Å; E420-C424 PolarHBondContact O-N 3.22Å; E420-C424 PolarHBondContact O-SG 3.46Å; E420-C424 VanDerWaalsContact O-SG 3.33Å; E420-L441 HydrophobicContact CB-CD2 4.39Å; E420-L441 HydrophobicContact CG-CD2 3.97Å; E420-C446 HydrophobicContact CG-CB 4.4Å
421A97.7Very high96.3Very high69 Ų6960.6 Ų60.657%0.5732%0.32SS*.Hα-helixtrans-61.8-40.7-179.600000111.9A419 C424 Q425A419-A421 PolarHBondContact O-N 3.27Å; A421-C424 PolarHBondContact O-N 3.35Å; A421-Q425 WeakPolarHBondContact O-CB 3.21Å; A421-Q425 PolarHBondContact O-N 2.92Å
422L98.1Very high96.2Very high16 Ų1664.6 Ų64.68%0.08434%0.34CS..Hα-helixtrans-67.2-42.9178.9-66.8166.4000112V380 M383 K384 L387 A419 E420 Q425 A426V380-L422 HydrophobicContact CG1-CD1 3.76Å; M383-L422 HydrophobicContact CB-CD1 4.17Å; M383-L422 HydrophobicContact CE-CB 3.95Å; K384-L422 HydrophobicContact CD-CD1 4.43Å; K384-L422 HydrophobicContact CG-CD1 3.7Å; K384-L422 HydrophobicContact CG-CD2 3.94Å; K384-L422 HydrophobicContact CG-CG 4.44Å; L387-L422 HydrophobicContact CD2-CD2 4.07Å; A419-L422 PolarHBondContact O-N 2.92Å; E420-L422 VanDerWaalsContact C-N 3.31Å; E420-L422 PolarHBondContact O-N 2.99Å; L422-Q425 PolarHBondContact O-N 3.28Å; L422-A426 WeakPolarHBondContact O-CB 3.31Å; L422-A426 PolarHBondContact O-N 3.37Å
423I98.2Very high96.2Very high0 Ų058.2 Ų58.20%031%0.311CS..Hα-helixtrans-66.9-42177.7-61.5162.1000110.3M383 I400 A419 E420 Q425 A426 V427 G437 A440 L441 L444M383-I423 HydrophobicContact CE-CG1 4Å; I400-I423 HydrophobicContact CD1-CD1 4.13Å; I400-I423 HydrophobicContact CG2-CD1 4.31Å; A419-I423 HydrophobicContact CB-CD1 4.37Å; A419-I423 WeakPolarHBondContact O-CD1 3.49Å; A419-I423 WeakPolarHBondContact O-CG1 3.25Å; A419-I423 PolarHBondContact O-N 3.49Å; E420-I423 PolarHBondContact O-N 3.43Å; I423-Q425 VanDerWaalsContact C-N 3.34Å; I423-Q425 PolarHBondContact O-N 3.38Å; I423-A426 PolarHBondContact O-N 2.9Å; I423-V427 HydrophobicContact CG2-CG2 4.37Å; I423-V427 VanDerWaalsContact O-CG2 3.31Å; I423-V427 WeakPolarHBondContact O-CG2 3.49Å; I423-V427 PolarHBondContact O-N 3.29Å; I423-G437 WeakPolarHBondContact CG2-O 3.36Å; I423-A440 HydrophobicContact CD1-CB 4.13Å; I423-L441 HydrophobicContact CB-CD2 4.05Å; I423-L441 HydrophobicContact CB-CG 4.15Å; I423-L441 HydrophobicContact CD1-CD2 4.45Å; I423-L441 HydrophobicContact CG2-CD1 3.93Å; I423-L441 HydrophobicContact CG2-CD2 4.1Å; I423-L441 HydrophobicContact CG2-CG 3.63Å; I423-L444 HydrophobicContact CD1-CD1 3.81Å
424C97.3Very high96.1Very high41 Ų4155.9 Ų55.928%0.27730%0.303SS..Hα-helixtrans-58.3-45.6174-75.70000111.7E420 A421 V427 Q428E420-C424 WeakPolarHBondContact O-CB 3.22Å; E420-C424 PolarHBondContact O-N 3.22Å; E420-C424 PolarHBondContact O-SG 3.46Å; E420-C424 VanDerWaalsContact O-SG 3.33Å; A421-C424 PolarHBondContact O-N 3.35Å; C424-V427 PolarHBondContact O-N 3.36Å; C424-Q428 VanDerWaalsContact O-CG 3.29Å; C424-Q428 WeakPolarHBondContact O-CG 3.43Å; C424-Q428 PolarHBondContact O-N 2.94Å
425Q96.9Very high96Very high80 Ų8062.2 Ų62.237%0.37434%0.337SS..Hα-helixtrans-62.9-42.7176.2-174.5177.25.800112A421 L422 I423 Q428 T429A421-Q425 WeakPolarHBondContact O-CB 3.21Å; A421-Q425 PolarHBondContact O-N 2.92Å; L422-Q425 PolarHBondContact O-N 3.28Å; I423-Q425 VanDerWaalsContact C-N 3.34Å; I423-Q425 PolarHBondContact O-N 3.38Å; Q425-Q428 PolarHBondContact O-N 3.39Å; Q425-T429 VanDerWaalsContact O-CB 3.32Å; Q425-T429 WeakPolarHBondContact O-CB 3.43Å; Q425-T429 PolarHBondContact O-N 3.49Å; Q425-T429 PolarHBondContact O-OG1 2.92Å
426A97.1Very high95.9Very high3 Ų361.4 Ų61.43%0.02533%0.332CS..Hα-helixtrans-61.2-44.2176.400000112.1Q393 L422 I423 Q428 T429 H430 C433Q393-A426 HydrophobicContact CB-CB 3.87Å; Q393-A426 HydrophobicContact CG-CB 4.15Å; L422-A426 WeakPolarHBondContact O-CB 3.31Å; L422-A426 PolarHBondContact O-N 3.37Å; I423-A426 PolarHBondContact O-N 2.9Å; A426-Q428 VanDerWaalsContact C-N 3.3Å; A426-Q428 PolarHBondContact O-N 3.45Å; A426-T429 PolarHBondContact O-N 3.36Å; A426-H430 WeakPolarHBondContact O-CB 3.48Å; A426-H430 PolarHBondContact O-N 2.91Å; A426-C433 HydrophobicContact CB-CB 4.29Å
427V96.3Very high95.9Very high30 Ų3054.9 Ų54.918%0.18230%0.302CS..Hα-helixtrans-62.8-35.9176.8167.70000112I423 C424 K438I423-V427 HydrophobicContact CG2-CG2 4.37Å; I423-V427 VanDerWaalsContact O-CG2 3.31Å; I423-V427 WeakPolarHBondContact O-CG2 3.49Å; I423-V427 PolarHBondContact O-N 3.29Å; C424-V427 PolarHBondContact O-N 3.36Å; V427-K438 HydrophobicContact CG1-CG 4.35Å
428Q94.4Very high95.9Very high164 Ų16455.2 Ų55.277%0.76630%0.301SS*.Hα-helixtrans-76.4-35.4178.8-72.11722.400112.9C424 Q425 A426C424-Q428 VanDerWaalsContact O-CG 3.29Å; C424-Q428 WeakPolarHBondContact O-CG 3.43Å; C424-Q428 PolarHBondContact O-N 2.94Å; Q425-Q428 PolarHBondContact O-N 3.39Å; A426-Q428 VanDerWaalsContact C-N 3.3Å; A426-Q428 PolarHBondContact O-N 3.45Å
429T94.4Very high95.8Very high88 Ų8854.7 Ų54.754%0.5429%0.294SS..Hα-helixtrans-89.4-31-172.7-47.40000112.3Q425 A426Q425-T429 VanDerWaalsContact O-CB 3.32Å; Q425-T429 WeakPolarHBondContact O-CB 3.43Å; Q425-T429 PolarHBondContact O-N 3.49Å; Q425-T429 PolarHBondContact O-OG1 2.92Å; A426-T429 PolarHBondContact O-N 3.36Å
430H94.8Very high95.8Very high30 Ų3054.7 Ų54.714%0.13929%0.294CS..  trans-128.5113.5-170.8-56.5-67.8000111.6L387 V390 A426 D432 C433L387-H430 PolarHBondContact O-NE2 3.33Å; V390-H430 HydrophobicContact CB-CB 4.43Å; V390-H430 HydrophobicContact CG2-CB 3.82Å; A426-H430 WeakPolarHBondContact O-CB 3.48Å; A426-H430 PolarHBondContact O-N 2.91Å; H430-D432 VanDerWaalsContact C-N 3.28Å; H430-D432 PolarHBondContact O-N 2.72Å; H430-C433 HydrophobicContact CB-CB 4.14Å; H430-C433 WeakPolarHBondContact O-CB 3.32Å; H430-C433 PolarHBondContact O-N 2.92Å
431E93Very high95.8Very high176 Ų17651 Ų5182%0.82228%0.277SS*.G310 helixtrans-55.3-43.2179.2-174.2174.7-175.900112.2C433 S434E431-C433 PolarHBondContact O-N 2.89Å; E431-S434 WeakPolarHBondContact O-CB 3.4Å; E431-S434 PolarHBondContact O-N 3.28Å
432D93.4Very high95.7Very high96 Ų9653.4 Ų53.451%0.51327%0.271SS..G310 helixtrans-59.7-17.5177-89.333.9000114.9V390 K394 H430V390-D432 HydrophobicContact CG2-CB 3.72Å; K394-D432 IonicContact NZ-OD2 3.13Å; H430-D432 VanDerWaalsContact C-N 3.28Å; H430-D432 PolarHBondContact O-N 2.72Å
433C94.7Very high95.6Very high0 Ų053.2 Ų53.20%027%0.27CS..G310 helixtrans-93-11176.3-68.50000112.9A426 H430 E431 D435 G437A426-C433 HydrophobicContact CB-CB 4.29Å; H430-C433 HydrophobicContact CB-CB 4.14Å; H430-C433 WeakPolarHBondContact O-CB 3.32Å; H430-C433 PolarHBondContact O-N 2.92Å; E431-C433 PolarHBondContact O-N 2.89Å; C433-D435 PolarHBondContact O-N 2.7Å; C433-G437 WeakPolarHBondContact O-CA 3.42Å; C433-G437 PolarHBondContact O-N 3.06Å
434S92.8Very high95.5Very high28 Ų2853.6 Ų53.620%0.19627%0.272CS..Hα-helixtrans-54-58.2-170.4174.80000112.6E431 K438E431-S434 WeakPolarHBondContact O-CB 3.4Å; E431-S434 PolarHBondContact O-N 3.28Å; S434-K438 VanDerWaalsContact O-CB 3.27Å; S434-K438 WeakPolarHBondContact O-CB 3.48Å; S434-K438 WeakPolarHBondContact O-CD 3.37Å; S434-K438 WeakPolarHBondContact O-CG 3.43Å; S434-K438 PolarHBondContact O-N 3.1Å; S434-K438 PolarHBondContact OG-NZ 3.23Å
435D93.6Very high95.4Very high132 Ų13254.5 Ų54.571%0.70629%0.288SS*.Hα-helixtrans-69.2-45.9-174.6-68.5-23000112.2C433 A439C433-D435 PolarHBondContact O-N 2.7Å; D435-A439 WeakPolarHBondContact O-CB 3.39Å; D435-A439 PolarHBondContact O-N 2.87Å
436I96.4Very high95.3Very high38 Ų3851.5 Ų51.520%0.19528%0.276CS..Hα-helixtrans-70.8-37.2-176.7-16958.2000112.1K394 C397 M398 A439 A440K394-I436 HydrophobicContact CG-CG2 4.12Å; C397-I436 HydrophobicContact CB-CG1 4.2Å; C397-I436 HydrophobicContact CB-CG2 4.13Å; M398-I436 HydrophobicContact CB-CD1 4.15Å; M398-I436 HydrophobicContact CB-CG1 3.94Å; M398-I436 HydrophobicContact CG-CD1 4.14Å; M398-I436 HydrophobicContact CG-CG1 4.43Å; I436-A439 PolarHBondContact O-N 3.33Å; I436-A440 WeakPolarHBondContact O-CB 3.35Å; I436-A440 PolarHBondContact O-N 3.48Å
437G96.9Very high94.9Very high0 Ų060 Ų600%031%0.313CS..Hα-helixtrans-68.2-44176.600000111.5I423 C433 A439 A440 L441I423-G437 WeakPolarHBondContact CG2-O 3.36Å; C433-G437 WeakPolarHBondContact O-CA 3.42Å; C433-G437 PolarHBondContact O-N 3.06Å; G437-A439 VanDerWaalsContact C-N 3.32Å; G437-A439 PolarHBondContact O-N 3.41Å; G437-A440 WeakPolarHBondContact O-CB 3.44Å; G437-A440 PolarHBondContact O-N 3.22Å; G437-L441 WeakPolarHBondContact O-CG 3.35Å; G437-L441 PolarHBondContact O-N 2.98Å
438K96.1Very high94.6Very high55 Ų5560.3 Ų60.324%0.23932%0.315CS..Hα-helixtrans-60.6-40.3172.5-73.9174.7-173.5166.60112.1V427 S434 R442 V448V427-K438 HydrophobicContact CG1-CG 4.35Å; S434-K438 VanDerWaalsContact O-CB 3.27Å; S434-K438 WeakPolarHBondContact O-CB 3.48Å; S434-K438 WeakPolarHBondContact O-CD 3.37Å; S434-K438 WeakPolarHBondContact O-CG 3.43Å; S434-K438 PolarHBondContact O-N 3.1Å; S434-K438 PolarHBondContact OG-NZ 3.23Å; K438-R442 WeakPolarHBondContact O-CB 3.46Å; K438-R442 PolarHBondContact O-N 3.48Å; K438-V448 HydrophobicContact CB-CG1 3.7Å; K438-V448 HydrophobicContact CD-CG1 4.27Å; K438-V448 HydrophobicContact CG-CG1 3.69Å
439A95.7Very high94Very high18 Ų1860 Ų6015%0.14931%0.313CS..Hα-helixtrans-63.5-42.8174.500000112.1R401 D435 I436 G437 R442 D443R401-A439 HydrophobicContact CG-CB 4.25Å; D435-A439 WeakPolarHBondContact O-CB 3.39Å; D435-A439 PolarHBondContact O-N 2.87Å; I436-A439 PolarHBondContact O-N 3.33Å; G437-A439 VanDerWaalsContact C-N 3.32Å; G437-A439 PolarHBondContact O-N 3.41Å; A439-R442 PolarHBondContact O-N 2.98Å; A439-D443 WeakPolarHBondContact O-CB 3.27Å; A439-D443 PolarHBondContact O-N 2.9Å
440A97.1Very high93.1Very high0 Ų061.6 Ų61.60%032%0.318CS..Hα-helixtrans-61.5-48.7175.700000111.9I400 R401 I423 I436 G437 R442 D443 L444I400-A440 HydrophobicContact CG2-CB 4.47Å; R401-A440 HydrophobicContact CB-CB 3.91Å; I423-A440 HydrophobicContact CD1-CB 4.13Å; I436-A440 WeakPolarHBondContact O-CB 3.35Å; I436-A440 PolarHBondContact O-N 3.48Å; G437-A440 WeakPolarHBondContact O-CB 3.44Å; G437-A440 PolarHBondContact O-N 3.22Å; A440-R442 PolarHBondContact O-N 2.91Å; A440-D443 PolarHBondContact O-N 3.42Å; A440-L444 WeakPolarHBondContact O-CB 3.26Å; A440-L444 WeakPolarHBondContact O-CG 3.29Å; A440-L444 PolarHBondContact O-N 3.05Å
441L97.6Very high92Very high7 Ų770.6 Ų70.64%0.03735%0.35CS..Hα-helixtrans-59.1-44.9177.5-72.9169.1000112E420 I423 G437 D443 L444 G445 C446 V448E420-L441 HydrophobicContact CB-CD2 4.39Å; E420-L441 HydrophobicContact CG-CD2 3.97Å; I423-L441 HydrophobicContact CB-CD2 4.05Å; I423-L441 HydrophobicContact CB-CG 4.15Å; I423-L441 HydrophobicContact CD1-CD2 4.45Å; I423-L441 HydrophobicContact CG2-CD1 3.93Å; I423-L441 HydrophobicContact CG2-CD2 4.1Å; I423-L441 HydrophobicContact CG2-CG 3.63Å; G437-L441 WeakPolarHBondContact O-CG 3.35Å; G437-L441 PolarHBondContact O-N 2.98Å; L441-D443 PolarHBondContact O-N 2.94Å; L441-L444 WeakPolarHBondContact O-CB 3.39Å; L441-L444 PolarHBondContact O-N 3.17Å; L441-G445 PolarHBondContact O-N 3.33Å; L441-G445 VanDerWaalsContact O-N 3.1Å; L441-C446 HydrophobicContact CB-CB 4.08Å; L441-C446 HydrophobicContact CD2-CB 3.91Å; L441-C446 WeakPolarHBondContact O-CB 3.14Å; L441-C446 PolarHBondContact O-N 3.45Å; L441-V448 HydrophobicContact CB-CG2 3.39Å; L441-V448 HydrophobicContact CD1-CG2 4.41Å
442R95.6Very high90.7Very high119 Ų11969.3 Ų69.345%0.44934%0.344SS..Hα-helixtrans-60.6-45.7175.8-178.6-160.366.2-153-7.3111.4K438 A439 A440 L444 G445 V448K438-R442 WeakPolarHBondContact O-CB 3.46Å; K438-R442 PolarHBondContact O-N 3.48Å; A439-R442 PolarHBondContact O-N 2.98Å; A440-R442 PolarHBondContact O-N 2.91Å; R442-L444 PolarHBondContact O-N 2.85Å; R442-G445 PolarHBondContact O-N 3.05Å; R442-V448 HydrophobicContact CB-CG2 4.27Å
443D95.6Very high89.6Confident13 Ų1372.6 Ų72.67%0.0736%0.361CS..Hα-helixtrans-72.9-19.7-178.6-62.8-7.4000111.5R401 V404 R408 A439 A440 L441R401-D443 WeakPolarHBondContact CG-OD2 3.45Å; R401-D443 IonicContact NE-OD2 3.22Å; R401-D443 PolarHBondContact NE-OD2 3.01Å; R401-D443 VanDerWaalsContact NE-OD2 3.13Å; V404-D443 HydrophobicContact CG2-CB 3.71Å; R408-D443 PolarHBondContact NH1-O 3.43Å; A439-D443 WeakPolarHBondContact O-CB 3.27Å; A439-D443 PolarHBondContact O-N 2.9Å; A440-D443 PolarHBondContact O-N 3.42Å; L441-D443 PolarHBondContact O-N 2.94Å
444L96.4Very high88.3Confident7 Ų783 Ų834%0.03740%0.4CS..Hα-helixtrans-78.2-18.2167.5-75.8168.3000113.8I400 V404 C411 I414 L415 I423 A440 L441 R442I400-L444 HydrophobicContact CG2-CD1 3.87Å; I400-L444 HydrophobicContact CG2-CD2 4.26Å; I400-L444 HydrophobicContact CG2-CG 4.17Å; V404-L444 HydrophobicContact CG1-CD2 3.93Å; V404-L444 HydrophobicContact CG2-CD2 4.26Å; V404-L444 HydrophobicContact CG2-CG 4.28Å; C411-L444 HydrophobicContact CB-CD2 4.31Å; I414-L444 HydrophobicContact CB-CD2 3.97Å; I414-L444 HydrophobicContact CD1-CD2 4.36Å; I414-L444 HydrophobicContact CG2-CD1 4.31Å; I414-L444 HydrophobicContact CG2-CD2 3.71Å; L415-L444 HydrophobicContact CD2-CB 4.32Å; L415-L444 HydrophobicContact CD2-CD1 4.29Å; L415-L444 HydrophobicContact CG-CD2 4.46Å; I423-L444 HydrophobicContact CD1-CD1 3.81Å; A440-L444 WeakPolarHBondContact O-CB 3.26Å; A440-L444 WeakPolarHBondContact O-CG 3.29Å; A440-L444 PolarHBondContact O-N 3.05Å; L441-L444 WeakPolarHBondContact O-CB 3.39Å; L441-L444 PolarHBondContact O-N 3.17Å; R442-L444 PolarHBondContact O-N 2.85Å
445G94.4Very high87.1Confident60 Ų6085.7 Ų85.762%0.61942%0.416SS*.THydrogen-bonded Turntrans89.711.9-17500000114.2L441 R442L441-G445 PolarHBondContact O-N 3.33Å; L441-G445 VanDerWaalsContact O-N 3.1Å; R442-G445 PolarHBondContact O-N 3.05Å
446C94.9Very high85.9Confident18 Ų1881 Ų8112%0.12240%0.399CS..  trans-75.6160.1174-56.80000111.1L415 E420 L441 V448L415-C446 VanDerWaalsContact CD2-SG 3.52Å; E420-C446 HydrophobicContact CG-CB 4.4Å; L441-C446 HydrophobicContact CB-CB 4.08Å; L441-C446 HydrophobicContact CD2-CB 3.91Å; L441-C446 WeakPolarHBondContact O-CB 3.14Å; L441-C446 PolarHBondContact O-N 3.45Å; C446-V448 PolarHBondContact O-N 3.13Å
447K89.8Confident84.4Confident182 Ų18287.3 Ų87.379%0.79143%0.425SS*.  trans-72.3129.7174.9-172.6-177.9176.8-169.80109.8
448V88.2Confident82.5Confident36 Ų3696.4 Ų96.422%0.21847%0.467CS..  trans-133.2132.9178.1-175.20000109.9K438 L441 R442 C446 L450K438-V448 HydrophobicContact CB-CG1 3.7Å; K438-V448 HydrophobicContact CD-CG1 4.27Å; K438-V448 HydrophobicContact CG-CG1 3.69Å; L441-V448 HydrophobicContact CB-CG2 3.39Å; L441-V448 HydrophobicContact CD1-CG2 4.41Å; R442-V448 HydrophobicContact CB-CG2 4.27Å; C446-V448 PolarHBondContact O-N 3.13Å; V448-L450 HydrophobicContact CG1-CD2 3.87Å; V448-L450 HydrophobicContact CG1-CG 4.35Å
449E81.9Confident80.6Confident157 Ų15796.9 Ų96.973%0.73449%0.487SS*.  trans-88.6110.9169.5-66.9-175.4178.900109.5
450L76.3Confident78.8Confident121 Ų121101 Ų10163%0.63452%0.515SS*.  trans-95.3120174.4-61176.7000108.3V448V448-L450 HydrophobicContact CG1-CD2 3.87Å; V448-L450 HydrophobicContact CG1-CG 4.35Å
451R70.7Confident77Confident219 Ų219108.1 Ų108.183%0.82655%0.552SS**  trans-91.1114.4172-173.9177.8-180-179.1-0.1108.1L453R451-L453 PolarHBondContact O-N 3.48Å; R451-L453 VanDerWaalsContact O-N 3.13Å
452E67.4Low74.9Confident150 Ų150113.6 Ų113.670%0.70159%0.586SS**  trans-64111.9170.4-71.3-178.1174.400109.1W454 T455E452-W454 PolarHBondContact O-N 3.49Å; E452-T455 HydrophobicContact CB-CG2 4.43Å
453L69.1Low72.5Confident165 Ų165118.8 Ų118.886%0.86462%0.622SS**SBendtrans-74-18.9177.6-66.8174.5000112.2R451R451-L453 PolarHBondContact O-N 3.48Å; R451-L453 VanDerWaalsContact O-N 3.13Å
454W66.8Low71.4Confident218 Ų218124.1 Ų124.183%0.82665%0.65SS**  trans-144.2120.3-179.6-173.286.4000110.7E452 G456E452-W454 PolarHBondContact O-N 3.49Å; W454-G456 VanDerWaalsContact CH2-CA 3.42Å; W454-G456 VanDerWaalsContact CZ2-CA 3.41Å
455T68.9Low70.1Confident84 Ų84130.3 Ų130.352%0.51568%0.682SS.*  trans-102.8-0-178.756.70000113.1E452 K457E452-T455 HydrophobicContact CB-CG2 4.43Å; T455-K457 PolarHBondContact O-N 3.27Å; T455-K457 VanDerWaalsContact O-N 3.14Å
456G67.7Low68.7Low34 Ų34134.2 Ų134.235%0.35169%0.686SS.*SBendtrans67.26.9178.100000116.7W454 H458W454-G456 VanDerWaalsContact CH2-CA 3.42Å; W454-G456 VanDerWaalsContact CZ2-CA 3.41Å; G456-H458 PolarHBondContact O-N 3.37Å
457K65.4Low67.2Low170 Ų170141 Ų14174%0.73972%0.719SS**THydrogen-bonded Turntrans-83.7-3.5-170.9-70.4-177-180179.40116.2T455T455-K457 PolarHBondContact O-N 3.27Å; T455-K457 VanDerWaalsContact O-N 3.14Å
458H57.7Low65.7Low191 Ų191138.4 Ų138.488%0.88471%0.714SS**THydrogen-bonded Turntrans-136.127.3-171-67.5-56000117.1G456G456-H458 PolarHBondContact O-N 3.37Å
459G56.2Low64.2Low65 Ų65145.3 Ų145.367%0.6775%0.748SS**  trans-144.395.8175.700000112.9I461G459-I461 PolarHBondContact O-N 3.46Å
460S56.3Low63Low104 Ų104144.4 Ų144.473%0.72775%0.749SS**  trans-67.3119.2157.5175.60000107.1T462S460-T462 PolarHBondContact O-N 2.97Å
461I59.3Low62Low151 Ų151146.2 Ų146.277%0.77476%0.757SS**  trans-71.292162.1-57.8173.7000105G459 N463G459-I461 PolarHBondContact O-N 3.46Å; I461-N463 PolarHBondContact O-N 3.14Å
462T53.4Low61.2Low122 Ų122140.2 Ų140.275%0.74875%0.752SS**  trans-69.4113.2166.443.40000107.3S460S460-T462 PolarHBondContact O-N 2.97Å
463N46.7Very low60.7Low228 Ų228139.3 Ų139.3100%1.21976%0.756SS**  trans-53.20179-73.3-26.2000114I461I461-N463 PolarHBondContact O-N 3.14Å

Retrieved 463 of 463 residues in 614.5 ms (Link to these results)

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