1433D_SOYBN Loading...

14-3-3-like protein D

AlphaFold DB , UniProt , Accession Q96453, Species SOYBN (Glycine max, Soybean), Gene GF14D, Length 261 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
1M57.2Low86.2Confident206 Ų20687.2 Ų87.2100%1.01546%0.46SS*.  0-47.20-73.1-166.8-167.700112.3S4 K5M1-S4 PolarHBondContact O-N 3.15Å; M1-K5 PolarHBondContact O-N 2.96Å
2T70.2Confident87.2Confident104 Ų10491.9 Ų91.964%0.63847%0.469SS*.Hα-helixtrans-60.1-53.2-179.5-40.70000113.1S4 K5 D6T2-S4 PolarHBondContact O-N 3.01Å; T2-S4 VanDerWaalsContact O-N 3.13Å; T2-K5 WeakPolarHBondContact O-CB 3.37Å; T2-K5 PolarHBondContact O-N 3.19Å; T2-D6 PolarHBondContact O-N 3.16Å
3A73.9Confident88.1Confident58 Ų5890.8 Ų90.848%0.47946%0.464SS..Hα-helixtrans-57.6-32179.400000114.6R7A3-R7 WeakPolarHBondContact O-CB 3.28Å; A3-R7 PolarHBondContact O-N 2.97Å
4S82.5Confident88.8Confident65 Ų6584.4 Ų84.446%0.45543%0.431SS..Hα-helixtrans-67.6-43.3174.6-166.70000111.6M1 T2 D6 R7 E8M1-S4 PolarHBondContact O-N 3.15Å; T2-S4 PolarHBondContact O-N 3.01Å; T2-S4 VanDerWaalsContact O-N 3.13Å; S4-D6 VanDerWaalsContact C-N 3.32Å; S4-R7 PolarHBondContact O-N 2.77Å; S4-E8 WeakPolarHBondContact O-CG 3.29Å; S4-E8 PolarHBondContact O-N 3.09Å; S4-E8 PolarHBondContact OG-OE1 2.95Å
5K86.8Confident89.5Confident133 Ų13382.6 Ų82.658%0.57842%0.419SS*.Hα-helixtrans-66.4-37.4176.4-69.1-176.4175.8-174.20111.4M1 T2 E8 N9M1-K5 PolarHBondContact O-N 2.96Å; T2-K5 WeakPolarHBondContact O-CB 3.37Å; T2-K5 PolarHBondContact O-N 3.19Å; K5-E8 PolarHBondContact O-N 2.96Å; K5-N9 WeakPolarHBondContact O-CB 3.41Å; K5-N9 PolarHBondContact O-N 3.3Å; K5-N9 PolarHBondContact O-ND2 3.1Å
6D91.6Very high90Very high64 Ų6482.4 Ų82.434%0.34242%0.419SS..Hα-helixtrans-65.6-45.3176.7-60.5-30.7000110.5T2 S4 E8 N9 F10T2-D6 PolarHBondContact O-N 3.16Å; S4-D6 VanDerWaalsContact C-N 3.32Å; D6-E8 PolarHBondContact O-N 3.48Å; D6-N9 PolarHBondContact O-N 2.99Å; D6-F10 HydrophobicContact CB-CD2 4.47Å; D6-F10 HydrophobicContact CB-CE2 3.94Å; D6-F10 WeakPolarHBondContact O-CD2 3.44Å; D6-F10 VanDerWaalsContact O-CG 3.32Å; D6-F10 WeakPolarHBondContact O-CG 3.45Å; D6-F10 PolarHBondContact O-N 2.95Å
7R96.6Very high90.5Very high50 Ų5077.9 Ų77.919%0.18940%0.397CS..Hα-helixtrans-54.8-52.3173.3-170.6178.9178.4162.24.6111.9A3 S4 N9 F10 V11 V33 L36 E39 E44A3-R7 WeakPolarHBondContact O-CB 3.28Å; A3-R7 PolarHBondContact O-N 2.97Å; S4-R7 PolarHBondContact O-N 2.77Å; R7-N9 VanDerWaalsContact C-N 3.3Å; R7-N9 PolarHBondContact O-N 3.33Å; R7-F10 PolarHBondContact O-N 3.32Å; R7-V11 WeakPolarHBondContact O-CG2 3.24Å; R7-V11 PolarHBondContact O-N 3.46Å; R7-V33 HydrophobicContact CG-CG1 4.12Å; R7-L36 HydrophobicContact CB-CD1 3.64Å; R7-L36 HydrophobicContact CG-CD1 4.02Å; R7-E39 PolarHBondContact NH2-O 3.46Å; R7-E44 IonicContact CZ-OE1 3.55Å; R7-E44 IonicContact CZ-OE2 2.68Å; R7-E44 IonicContact NE-OE1 2.6Å; R7-E44 PolarHBondContact NE-OE1 3.29Å; R7-E44 IonicContact NE-OE2 3.7Å; R7-E44 VanDerWaalsContact NH2-CD 3.34Å; R7-E44 IonicContact NH2-OE1 2.65Å; R7-E44 PolarHBondContact NH2-OE1 3.03Å; R7-E44 IonicContact NH2-OE2 2.68Å; R7-E44 PolarHBondContact NH2-OE2 2.78Å
8E96.5Very high91Very high121 Ų12177.6 Ų77.657%0.56539%0.393SS*.Hα-helixtrans-58.5-41.8178.6-73.4164.8-149.700111.9S4 K5 D6 Y12S4-E8 WeakPolarHBondContact O-CG 3.29Å; S4-E8 PolarHBondContact O-N 3.09Å; S4-E8 PolarHBondContact OG-OE1 2.95Å; K5-E8 PolarHBondContact O-N 2.96Å; D6-E8 PolarHBondContact O-N 3.48Å; E8-Y12 WeakPolarHBondContact O-CB 3.38Å; E8-Y12 PolarHBondContact O-N 2.91Å
9N97Very high91.3Very high91 Ų9181.8 Ų81.849%0.48741%0.412SS..Hα-helixtrans-64.4-45.6176.7-72.9-23.8000112K5 D6 R7 Y12 I13K5-N9 WeakPolarHBondContact O-CB 3.41Å; K5-N9 PolarHBondContact O-N 3.3Å; K5-N9 PolarHBondContact O-ND2 3.1Å; D6-N9 PolarHBondContact O-N 2.99Å; R7-N9 VanDerWaalsContact C-N 3.3Å; R7-N9 PolarHBondContact O-N 3.33Å; N9-Y12 PolarHBondContact O-N 3.47Å; N9-I13 VanDerWaalsContact O-CG1 3.28Å; N9-I13 WeakPolarHBondContact O-CG1 3.28Å; N9-I13 PolarHBondContact O-N 3.47Å
10F98Very high91.7Very high54 Ų5480.8 Ų80.824%0.23742%0.417CS..Hα-helixtrans-63.1-43178.2-65.7-48.8000112D6 R7 Y12 I13 A14 S29 N32 V33D6-F10 HydrophobicContact CB-CD2 4.47Å; D6-F10 HydrophobicContact CB-CE2 3.94Å; D6-F10 WeakPolarHBondContact O-CD2 3.44Å; D6-F10 VanDerWaalsContact O-CG 3.32Å; D6-F10 WeakPolarHBondContact O-CG 3.45Å; D6-F10 PolarHBondContact O-N 2.95Å; R7-F10 PolarHBondContact O-N 3.32Å; F10-Y12 VanDerWaalsContact C-N 3.34Å; F10-Y12 PolarHBondContact O-N 2.87Å; F10-I13 PolarHBondContact O-N 3.29Å; F10-A14 WeakPolarHBondContact O-CB 3.38Å; F10-A14 PolarHBondContact O-N 3.29Å; F10-S29 WeakPolarHBondContact O-CB 3.46Å; F10-N32 HydrophobicContact CD1-CB 3.74Å; F10-N32 HydrophobicContact CD2-CB 3.64Å; F10-N32 HydrophobicContact CE1-CB 3.69Å; F10-N32 HydrophobicContact CE2-CB 3.6Å; F10-N32 HydrophobicContact CG-CB 3.74Å; F10-N32 HydrophobicContact CZ-CB 3.63Å; F10-V33 HydrophobicContact CB-CG2 3.54Å; F10-V33 HydrophobicContact CG-CG2 4.46Å
11V98.3Very high92Very high13 Ų1383.8 Ų83.88%0.07943%0.429CS..Hα-helixtrans-63.5-41.2176.2173.60000111.1R7 A14 K15 V33 E44 L47R7-V11 WeakPolarHBondContact O-CG2 3.24Å; R7-V11 PolarHBondContact O-N 3.46Å; V11-A14 PolarHBondContact O-N 3.02Å; V11-K15 HydrophobicContact CG1-CD 4.38Å; V11-K15 WeakPolarHBondContact O-CG 3.31Å; V11-K15 PolarHBondContact O-N 3.2Å; V11-V33 HydrophobicContact CG2-CG2 3.87Å; V11-E44 HydrophobicContact CG1-CG 4.44Å; V11-E44 HydrophobicContact CG2-CG 3.7Å; V11-E44 WeakPolarHBondContact CG2-OE1 3.36Å; V11-L47 HydrophobicContact CG1-CD1 4.01Å
12Y98.2Very high93.9Very high144 Ų14480.5 Ų80.557%0.56541%0.405SS*.Hα-helixtrans-61.7-44.9175.7179.5-110000112.1E8 N9 F10 A14 K15 L16E8-Y12 WeakPolarHBondContact O-CB 3.38Å; E8-Y12 PolarHBondContact O-N 2.91Å; N9-Y12 PolarHBondContact O-N 3.47Å; F10-Y12 VanDerWaalsContact C-N 3.34Å; F10-Y12 PolarHBondContact O-N 2.87Å; Y12-A14 VanDerWaalsContact C-N 3.35Å; Y12-A14 PolarHBondContact O-N 3.25Å; Y12-K15 PolarHBondContact O-N 2.9Å; Y12-L16 HydrophobicContact CD1-CD1 4.07Å; Y12-L16 HydrophobicContact CE1-CD1 3.52Å; Y12-L16 HydrophobicContact CE1-CG 4.21Å; Y12-L16 HydrophobicContact CE2-CG 4.44Å; Y12-L16 WeakPolarHBondContact O-CG 3.48Å; Y12-L16 PolarHBondContact O-N 2.95Å
13I98.3Very high95.3Very high78 Ų7877.7 Ų77.740%0.438%0.383SS..Hα-helixtrans-62.6-42.4175.9-65165.4000110.7N9 F10 K15 L16 A17 S29N9-I13 VanDerWaalsContact O-CG1 3.28Å; N9-I13 WeakPolarHBondContact O-CG1 3.28Å; N9-I13 PolarHBondContact O-N 3.47Å; F10-I13 PolarHBondContact O-N 3.29Å; I13-K15 VanDerWaalsContact C-N 3.32Å; I13-K15 PolarHBondContact O-N 2.95Å; I13-L16 PolarHBondContact O-N 3.28Å; I13-A17 WeakPolarHBondContact O-CB 3.37Å; I13-A17 PolarHBondContact O-N 3.17Å; I13-S29 VanDerWaalsContact CG2-OG 3.25Å; I13-S29 WeakPolarHBondContact CG2-OG 3.27Å
14A98.6Very high96.4Very high0 Ų079.1 Ų79.10%038%0.38CS..Hα-helixtrans-59.2-41.3176.600000112.3F10 V11 Y12 A17 E18 M26 M30F10-A14 WeakPolarHBondContact O-CB 3.38Å; F10-A14 PolarHBondContact O-N 3.29Å; V11-A14 PolarHBondContact O-N 3.02Å; Y12-A14 VanDerWaalsContact C-N 3.35Å; Y12-A14 PolarHBondContact O-N 3.25Å; A14-A17 PolarHBondContact O-N 3.49Å; A14-E18 WeakPolarHBondContact O-CB 3.41Å; A14-E18 PolarHBondContact O-N 2.91Å; A14-M26 HydrophobicContact CB-CG 4.14Å; A14-M30 HydrophobicContact CB-CG 3.75Å; A14-M30 HydrophobicContact CB-SD 3.54Å; A14-M30 VanDerWaalsContact CB-SD 3.54Å
15K98.5Very high97.1Very high58 Ų5879.4 Ų79.425%0.25237%0.374SS..Hα-helixtrans-66-36.6175.5-70.3175.8-177.2-173.30113V11 Y12 I13 Q19 E43 L47V11-K15 HydrophobicContact CG1-CD 4.38Å; V11-K15 WeakPolarHBondContact O-CG 3.31Å; V11-K15 PolarHBondContact O-N 3.2Å; Y12-K15 PolarHBondContact O-N 2.9Å; I13-K15 VanDerWaalsContact C-N 3.32Å; I13-K15 PolarHBondContact O-N 2.95Å; K15-Q19 WeakPolarHBondContact O-CG 3.34Å; K15-Q19 PolarHBondContact O-N 3.43Å; K15-Q19 PolarHBondContact O-NE2 2.98Å; K15-E43 WeakPolarHBondContact CE-OE1 3.4Å; K15-E43 IonicContact NZ-OE1 3.69Å; K15-E43 PolarHBondContact NZ-OE1 2.81Å; K15-E43 IonicContact NZ-OE2 3.29Å; K15-E43 PolarHBondContact NZ-OE2 3.02Å; K15-L47 HydrophobicContact CG-CD1 3.92Å; K15-L47 HydrophobicContact CG-CD2 4.11Å
16L98.6Very high97.7Very high80 Ų8073 Ų7342%0.41935%0.346SS..Hα-helixtrans-68.1-42.7173.5-69.4179.1000111.2Y12 I13 E18 Q19 A20Y12-L16 HydrophobicContact CD1-CD1 4.07Å; Y12-L16 HydrophobicContact CE1-CD1 3.52Å; Y12-L16 HydrophobicContact CE1-CG 4.21Å; Y12-L16 HydrophobicContact CE2-CG 4.44Å; Y12-L16 WeakPolarHBondContact O-CG 3.48Å; Y12-L16 PolarHBondContact O-N 2.95Å; I13-L16 PolarHBondContact O-N 3.28Å; L16-E18 VanDerWaalsContact C-N 3.34Å; L16-E18 PolarHBondContact O-N 3.48Å; L16-Q19 PolarHBondContact O-N 3.39Å; L16-A20 WeakPolarHBondContact O-CB 3.44Å; L16-A20 PolarHBondContact O-N 3.26Å
17A98.5Very high98Very high6 Ų670.5 Ų70.55%0.0533%0.333CS..Hα-helixtrans-63.1-39.6177.300000111.7I13 A14 A20 E21 R22 E25 M26I13-A17 WeakPolarHBondContact O-CB 3.37Å; I13-A17 PolarHBondContact O-N 3.17Å; A14-A17 PolarHBondContact O-N 3.49Å; A17-A20 CarbonylContact O-C 3.45Å; A17-A20 PolarHBondContact O-N 3.23Å; A17-E21 PolarHBondContact O-N 2.86Å; A17-R22 HydrophobicContact CB-CB 4.38Å; A17-R22 PolarHBondContact O-N 2.94Å; A17-E25 HydrophobicContact CB-CB 4.23Å; A17-M26 HydrophobicContact CB-CB 3.89Å
18E98.1Very high98.1Very high71 Ų7174.1 Ų74.133%0.33235%0.352SS..Hα-helixtrans-58.3-51.2172.9-174.7-179.6-154.500112A14 L16 A20 E21 M26 L47A14-E18 WeakPolarHBondContact O-CB 3.41Å; A14-E18 PolarHBondContact O-N 2.91Å; L16-E18 VanDerWaalsContact C-N 3.34Å; L16-E18 PolarHBondContact O-N 3.48Å; E18-A20 PolarHBondContact O-N 2.77Å; E18-E21 PolarHBondContact O-N 2.63Å; E18-M26 HydrophobicContact CB-CE 3.84Å; E18-M26 HydrophobicContact CB-SD 4.04Å; E18-M26 HydrophobicContact CG-CE 4.05Å; E18-M26 HydrophobicContact CG-SD 4.42Å; E18-L47 WeakPolarHBondContact OE2-CD2 3.42Å
19Q97.8Very high98.2Very high158 Ų15868.8 Ų68.874%0.73833%0.328SS*.Hα-helixtrans-63.6-26.7179-73174.564.500113.2K15 L16K15-Q19 WeakPolarHBondContact O-CG 3.34Å; K15-Q19 PolarHBondContact O-N 3.43Å; K15-Q19 PolarHBondContact O-NE2 2.98Å; L16-Q19 PolarHBondContact O-N 3.39Å
20A98.1Very high98.3Very high62 Ų6264.5 Ų64.551%0.51231%0.305SS..THydrogen-bonded Turntrans-94.45.6176.400000113.4L16 A17 E18 R22L16-A20 WeakPolarHBondContact O-CB 3.44Å; L16-A20 PolarHBondContact O-N 3.26Å; A17-A20 CarbonylContact O-C 3.45Å; A17-A20 PolarHBondContact O-N 3.23Å; E18-A20 PolarHBondContact O-N 2.77Å; A20-R22 HydrophobicContact CB-CG 3.96Å; A20-R22 WeakPolarHBondContact O-CG 3.43Å; A20-R22 PolarHBondContact O-N 3.23Å; A20-R22 VanDerWaalsContact O-N 3.17Å
21E97.8Very high98.3Very high144 Ų14464 Ų6467%0.67330%0.303SS*.THydrogen-bonded Turntrans5430.1-176.5-56-175.616500113.9A17 E18 Y23A17-E21 PolarHBondContact O-N 2.86Å; E18-E21 PolarHBondContact O-N 2.63Å; E21-Y23 HydrophobicContact CB-CE2 3.97Å; E21-Y23 WeakPolarHBondContact O-CD2 3.4Å; E21-Y23 PolarHBondContact O-N 3.01Å
22R98.3Very high98.3Very high136 Ų13666 Ų6651%0.51331%0.313SS..  trans-96.164.2178.3-54.7-161.176-153-10.2110.7A17 A20 E24 E25 M26A17-R22 HydrophobicContact CB-CB 4.38Å; A17-R22 PolarHBondContact O-N 2.94Å; A20-R22 HydrophobicContact CB-CG 3.96Å; A20-R22 WeakPolarHBondContact O-CG 3.43Å; A20-R22 PolarHBondContact O-N 3.23Å; A20-R22 VanDerWaalsContact O-N 3.17Å; R22-E24 VanDerWaalsContact C-N 3.27Å; R22-E24 PolarHBondContact O-N 2.97Å; R22-E25 HydrophobicContact CB-CB 4.42Å; R22-E25 IonicContact CZ-OE1 2.73Å; R22-E25 IonicContact CZ-OE2 3.93Å; R22-E25 IonicContact NE-OE1 3.08Å; R22-E25 IonicContact NE-OE2 3.56Å; R22-E25 IonicContact NH1-OE1 3.51Å; R22-E25 PolarHBondContact NH1-OE1 3.12Å; R22-E25 IonicContact NH1-OE2 2.67Å; R22-E25 PolarHBondContact NH1-OE2 3.2Å; R22-E25 IonicContact NH2-OE1 2.7Å; R22-E25 PolarHBondContact NH2-OE1 3.39Å; R22-E25 IonicContact NH2-OE2 3.48Å; R22-E25 PolarHBondContact O-N 2.92Å; R22-M26 PolarHBondContact O-N 3.01Å; R22-M26 VanDerWaalsContact O-N 3.08Å
23Y98.4Very high98.3Very high46 Ų4659.2 Ų59.218%0.1829%0.287CS..Hα-helixtrans-62.4-28.3-169.6-57.8-66.8000114.7E21 M26 V27 V50 N54E21-Y23 HydrophobicContact CB-CE2 3.97Å; E21-Y23 WeakPolarHBondContact O-CD2 3.4Å; E21-Y23 PolarHBondContact O-N 3.01Å; Y23-M26 HydrophobicContact CD1-SD 4.02Å; Y23-M26 WeakPolarHBondContact O-CB 3.41Å; Y23-M26 PolarHBondContact O-N 3.12Å; Y23-V27 WeakPolarHBondContact O-CG2 3.45Å; Y23-V27 PolarHBondContact O-N 3.2Å; Y23-V50 HydrophobicContact CE1-CG1 4.35Å; Y23-N54 HydrophobicContact CD1-CB 3.66Å; Y23-N54 HydrophobicContact CD2-CB 3.35Å; Y23-N54 HydrophobicContact CE1-CB 3.96Å; Y23-N54 WeakPolarHBondContact CE1-ND2 3.39Å; Y23-N54 HydrophobicContact CE2-CB 3.63Å; Y23-N54 HydrophobicContact CG-CB 3.34Å; Y23-N54 VanDerWaalsContact CZ-CG 3.45Å
24E97.9Very high98.2Very high87 Ų8755.5 Ų55.541%0.40727%0.268SS..Hα-helixtrans-64.6-40.6174.5-75.578.4165.600111.6R22 V27 E28 V55 R59R22-E24 VanDerWaalsContact C-N 3.27Å; R22-E24 PolarHBondContact O-N 2.97Å; E24-V27 PolarHBondContact O-N 2.85Å; E24-E28 PolarHBondContact O-N 3.21Å; E24-V55 HydrophobicContact CG-CG1 4.37Å; E24-V55 HydrophobicContact CG-CG2 3.97Å; E24-R59 IonicContact OE1-CZ 3.07Å; E24-R59 IonicContact OE1-NH1 3.21Å; E24-R59 IonicContact OE1-NH2 2.78Å; E24-R59 PolarHBondContact OE1-NH2 3.37Å
25E98.1Very high98.1Very high71 Ų7159 Ų5933%0.33229%0.286SS..Hα-helixtrans-73.1-32.4174.8-64.6-176.7176.800111.6A17 R22 E28 S29A17-E25 HydrophobicContact CB-CB 4.23Å; R22-E25 HydrophobicContact CB-CB 4.42Å; R22-E25 IonicContact CZ-OE1 2.73Å; R22-E25 IonicContact CZ-OE2 3.93Å; R22-E25 IonicContact NE-OE1 3.08Å; R22-E25 IonicContact NE-OE2 3.56Å; R22-E25 IonicContact NH1-OE1 3.51Å; R22-E25 PolarHBondContact NH1-OE1 3.12Å; R22-E25 IonicContact NH1-OE2 2.67Å; R22-E25 PolarHBondContact NH1-OE2 3.2Å; R22-E25 IonicContact NH2-OE1 2.7Å; R22-E25 PolarHBondContact NH2-OE1 3.39Å; R22-E25 IonicContact NH2-OE2 3.48Å; R22-E25 PolarHBondContact O-N 2.92Å; E25-E28 PolarHBondContact O-N 2.88Å; E25-S29 WeakPolarHBondContact O-CB 3.48Å; E25-S29 PolarHBondContact O-N 3.02Å; E25-S29 PolarHBondContact O-OG 3.48Å
26M98.2Very high98Very high0 Ų058.9 Ų58.90%029%0.288CS..Hα-helixtrans-61-46.5171.4-171-172.5-169.900110.9A14 A17 E18 R22 Y23 S29 M30 L47 V50 G51A14-M26 HydrophobicContact CB-CG 4.14Å; A17-M26 HydrophobicContact CB-CB 3.89Å; E18-M26 HydrophobicContact CB-CE 3.84Å; E18-M26 HydrophobicContact CB-SD 4.04Å; E18-M26 HydrophobicContact CG-CE 4.05Å; E18-M26 HydrophobicContact CG-SD 4.42Å; R22-M26 PolarHBondContact O-N 3.01Å; R22-M26 VanDerWaalsContact O-N 3.08Å; Y23-M26 HydrophobicContact CD1-SD 4.02Å; Y23-M26 WeakPolarHBondContact O-CB 3.41Å; Y23-M26 PolarHBondContact O-N 3.12Å; M26-S29 PolarHBondContact O-N 3.38Å; M26-M30 WeakPolarHBondContact O-CB 3.29Å; M26-M30 WeakPolarHBondContact O-CG 3.28Å; M26-M30 PolarHBondContact O-N 2.86Å; M26-L47 HydrophobicContact CE-CB 3.75Å; M26-L47 HydrophobicContact CE-CD2 3.37Å; M26-L47 HydrophobicContact CE-CG 4.16Å; M26-L47 WeakPolarHBondContact CE-O 3.29Å; M26-V50 HydrophobicContact CE-CB 4.08Å; M26-V50 HydrophobicContact CE-CG1 4.03Å; M26-V50 HydrophobicContact SD-CG1 4.2Å; M26-G51 VanDerWaalsContact SD-CA 3.53Å
27V98.6Very high97.9Very high11 Ų1159.3 Ų59.37%0.06729%0.291CS..Hα-helixtrans-61.3-47.9175.4166.90000110.9Y23 E24 S29 M30 K31 G51 Y52 V55Y23-V27 WeakPolarHBondContact O-CG2 3.45Å; Y23-V27 PolarHBondContact O-N 3.2Å; E24-V27 PolarHBondContact O-N 2.85Å; V27-S29 VanDerWaalsContact C-N 3.33Å; V27-S29 PolarHBondContact O-N 3.49Å; V27-M30 PolarHBondContact O-N 3.49Å; V27-K31 HydrophobicContact CG1-CD 3.73Å; V27-K31 HydrophobicContact CG1-CG 4.23Å; V27-K31 WeakPolarHBondContact O-CB 3.31Å; V27-K31 WeakPolarHBondContact O-CG 3.34Å; V27-K31 PolarHBondContact O-N 3.49Å; V27-G51 VanDerWaalsContact CG2-C 3.4Å; V27-Y52 HydrophobicContact CG1-CD1 4.05Å; V27-Y52 HydrophobicContact CG1-CD2 4.27Å; V27-Y52 HydrophobicContact CG1-CE1 3.54Å; V27-Y52 HydrophobicContact CG1-CE2 3.8Å; V27-Y52 HydrophobicContact CG1-CG 4.39Å; V27-Y52 VanDerWaalsContact CG1-CZ 3.42Å; V27-Y52 HydrophobicContact CG2-CD1 3.98Å; V27-Y52 HydrophobicContact CG2-CD2 4.05Å; V27-Y52 HydrophobicContact CG2-CE1 4.34Å; V27-Y52 HydrophobicContact CG2-CE2 4.4Å; V27-Y52 HydrophobicContact CG2-CG 3.83Å; V27-V55 HydrophobicContact CG2-CG2 4.21Å
28E98.4Very high97.8Very high126 Ų12661.5 Ų61.559%0.58930%0.304SS*.Hα-helixtrans-57.6-46.2178.3-175176.2-164.200112E24 E25 K31 N32E24-E28 PolarHBondContact O-N 3.21Å; E25-E28 PolarHBondContact O-N 2.88Å; E28-K31 PolarHBondContact O-N 3.16Å; E28-N32 PolarHBondContact O-N 3.31Å; E28-N32 PolarHBondContact O-ND2 2.68Å
29S98.3Very high97.7Very high9 Ų961.6 Ų61.66%0.06330%0.304CS..Hα-helixtrans-61.9-46.8177.7-580000111.5F10 I13 E25 M26 V27 K31 N32 V33F10-S29 WeakPolarHBondContact O-CB 3.46Å; I13-S29 VanDerWaalsContact CG2-OG 3.25Å; I13-S29 WeakPolarHBondContact CG2-OG 3.27Å; E25-S29 WeakPolarHBondContact O-CB 3.48Å; E25-S29 PolarHBondContact O-N 3.02Å; E25-S29 PolarHBondContact O-OG 3.48Å; M26-S29 PolarHBondContact O-N 3.38Å; V27-S29 VanDerWaalsContact C-N 3.33Å; V27-S29 PolarHBondContact O-N 3.49Å; S29-K31 VanDerWaalsContact C-N 3.32Å; S29-K31 PolarHBondContact O-N 3.43Å; S29-N32 WeakPolarHBondContact O-CB 3.46Å; S29-N32 PolarHBondContact O-N 2.66Å; S29-N32 VanDerWaalsContact O-N 3.13Å; S29-V33 PolarHBondContact O-N 2.68Å
30M98.5Very high97.7Very high0 Ų054.4 Ų54.40%027%0.271CS..Hα-helixtrans-72-25.1-178.7-68.1-52.5-48.500113.4A14 M26 V27 N32 V33 A34 E44 L47 L48A14-M30 HydrophobicContact CB-CG 3.75Å; A14-M30 HydrophobicContact CB-SD 3.54Å; A14-M30 VanDerWaalsContact CB-SD 3.54Å; M26-M30 WeakPolarHBondContact O-CB 3.29Å; M26-M30 WeakPolarHBondContact O-CG 3.28Å; M26-M30 PolarHBondContact O-N 2.86Å; V27-M30 PolarHBondContact O-N 3.49Å; M30-N32 VanDerWaalsContact C-N 3.34Å; M30-V33 HydrophobicContact CE-CB 3.96Å; M30-V33 HydrophobicContact CE-CG1 4.12Å; M30-V33 HydrophobicContact CE-CG2 3.97Å; M30-V33 WeakPolarHBondContact O-CB 3.44Å; M30-V33 PolarHBondContact O-N 2.86Å; M30-V33 HydrophobicContact SD-CG2 4.16Å; M30-A34 PolarHBondContact O-N 2.85Å; M30-E44 HydrophobicContact CE-CB 3.85Å; M30-E44 HydrophobicContact CE-CG 4.36Å; M30-E44 VanDerWaalsContact CE-O 3.23Å; M30-E44 WeakPolarHBondContact CE-O 3.49Å; M30-L47 HydrophobicContact CE-CB 4.38Å; M30-L47 HydrophobicContact CG-CB 4.11Å; M30-L47 HydrophobicContact SD-CB 3.88Å; M30-L47 HydrophobicContact SD-CD1 4.25Å; M30-L48 HydrophobicContact CB-CB 4.07Å; M30-L48 HydrophobicContact CB-CD1 3.53Å; M30-L48 HydrophobicContact CB-CG 4.42Å; M30-L48 HydrophobicContact CE-CB 4.39Å; M30-L48 HydrophobicContact CG-CB 4.42Å
31K98.3Very high97.7Very high43 Ų4354.9 Ų54.919%0.18727%0.267CS..Hα-helixtrans-64.5-40168.1-73.3169.470.4172.90111.5V27 E28 S29 V33 A34 N35 Y52 D102 V106V27-K31 HydrophobicContact CG1-CD 3.73Å; V27-K31 HydrophobicContact CG1-CG 4.23Å; V27-K31 WeakPolarHBondContact O-CB 3.31Å; V27-K31 WeakPolarHBondContact O-CG 3.34Å; V27-K31 PolarHBondContact O-N 3.49Å; E28-K31 PolarHBondContact O-N 3.16Å; S29-K31 VanDerWaalsContact C-N 3.32Å; S29-K31 PolarHBondContact O-N 3.43Å; K31-V33 VanDerWaalsContact C-N 3.26Å; K31-V33 PolarHBondContact O-N 3.43Å; K31-A34 PolarHBondContact O-N 3.23Å; K31-N35 WeakPolarHBondContact O-CB 3.12Å; K31-N35 PolarHBondContact O-N 3.01Å; K31-N35 PolarHBondContact O-ND2 3.16Å; K31-N35 PolarHBondContact O-OD1 3.31Å; K31-Y52 WeakPolarHBondContact CD-OH 3.4Å; K31-D102 WeakPolarHBondContact CE-OD2 3.45Å; K31-D102 IonicContact NZ-OD1 2.86Å; K31-D102 PolarHBondContact NZ-OD1 3.06Å; K31-D102 IonicContact NZ-OD2 3.16Å; K31-D102 PolarHBondContact NZ-OD2 2.88Å; K31-V106 HydrophobicContact CD-CG2 4.38Å; K31-V106 HydrophobicContact CG-CG2 3.95Å
32N98Very high97.6Very high57 Ų5751.7 Ų51.731%0.30526%0.258SS..Hα-helixtrans-63.4-34.3175.1-65.6-42.9000112F10 E28 S29 M30 L36F10-N32 HydrophobicContact CD1-CB 3.74Å; F10-N32 HydrophobicContact CD2-CB 3.64Å; F10-N32 HydrophobicContact CE1-CB 3.69Å; F10-N32 HydrophobicContact CE2-CB 3.6Å; F10-N32 HydrophobicContact CG-CB 3.74Å; F10-N32 HydrophobicContact CZ-CB 3.63Å; E28-N32 PolarHBondContact O-N 3.31Å; E28-N32 PolarHBondContact O-ND2 2.68Å; S29-N32 WeakPolarHBondContact O-CB 3.46Å; S29-N32 PolarHBondContact O-N 2.66Å; S29-N32 VanDerWaalsContact O-N 3.13Å; M30-N32 VanDerWaalsContact C-N 3.34Å; N32-L36 WeakPolarHBondContact O-CG 3.42Å
33V98Very high97.5Very high0 Ų050.1 Ų50.10%026%0.256CS..Hα-helixtrans-65.2-47.1171.3-177.90000111R7 F10 V11 S29 M30 K31 N35 L36 L40R7-V33 HydrophobicContact CG-CG1 4.12Å; F10-V33 HydrophobicContact CB-CG2 3.54Å; F10-V33 HydrophobicContact CG-CG2 4.46Å; V11-V33 HydrophobicContact CG2-CG2 3.87Å; S29-V33 PolarHBondContact O-N 2.68Å; M30-V33 HydrophobicContact CE-CB 3.96Å; M30-V33 HydrophobicContact CE-CG1 4.12Å; M30-V33 HydrophobicContact CE-CG2 3.97Å; M30-V33 WeakPolarHBondContact O-CB 3.44Å; M30-V33 PolarHBondContact O-N 2.86Å; M30-V33 HydrophobicContact SD-CG2 4.16Å; K31-V33 VanDerWaalsContact C-N 3.26Å; K31-V33 PolarHBondContact O-N 3.43Å; V33-N35 VanDerWaalsContact C-N 3.33Å; V33-N35 PolarHBondContact O-N 3.26Å; V33-L36 WeakPolarHBondContact O-CB 3.44Å; V33-L36 PolarHBondContact O-N 3.35Å; V33-L40 HydrophobicContact CG1-CD2 3.5Å; V33-L40 VanDerWaalsContact CG1-CD2 3.5Å
34A97.7Very high97.5Very high1 Ų148.5 Ų48.51%0.00825%0.25CS..Hα-helixtrans-59.6-42.7178.600000112M30 K31 L36 D37 V106 H110 L111M30-A34 PolarHBondContact O-N 2.85Å; K31-A34 PolarHBondContact O-N 3.23Å; A34-L36 PolarHBondContact O-N 3.01Å; A34-D37 PolarHBondContact O-N 3.45Å; A34-V106 HydrophobicContact CB-CG1 3.68Å; A34-H110 HydrophobicContact CB-CB 4.29Å; A34-H110 WeakPolarHBondContact O-CB 3.36Å; A34-L111 HydrophobicContact CB-CD2 3.71Å; A34-L111 HydrophobicContact CB-CG 4.36Å
35N96.5Very high97.5Very high72 Ų7244.9 Ų44.939%0.38523%0.233SC..THydrogen-bonded Turntrans-64.6-5.3179.2-64.6-7000114.4K31 V33 H110K31-N35 WeakPolarHBondContact O-CB 3.12Å; K31-N35 PolarHBondContact O-N 3.01Å; K31-N35 PolarHBondContact O-ND2 3.16Å; K31-N35 PolarHBondContact O-OD1 3.31Å; V33-N35 VanDerWaalsContact C-N 3.33Å; V33-N35 PolarHBondContact O-N 3.26Å; N35-H110 PolarHBondContact OD1-CD2 3.48Å; N35-H110 PolarHBondContact OD1-NE2 2.88Å; N35-H110 VanDerWaalsContact OD1-NE2 3.16Å
36L96.7Very high97.4Very high57 Ų5744.8 Ų44.830%0.29824%0.235SC..THydrogen-bonded Turntrans-79.6-3.8170.9-60.2175.6000112.3R7 N32 V33 A34 V38R7-L36 HydrophobicContact CB-CD1 3.64Å; R7-L36 HydrophobicContact CG-CD1 4.02Å; N32-L36 WeakPolarHBondContact O-CG 3.42Å; V33-L36 WeakPolarHBondContact O-CB 3.44Å; V33-L36 PolarHBondContact O-N 3.35Å; A34-L36 PolarHBondContact O-N 3.01Å; L36-V38 HydrophobicContact CB-CG2 3.93Å; L36-V38 PolarHBondContact O-N 3.05Å
37D96.2Very high97.4Very high89 Ų8945.1 Ų45.148%0.47624%0.236SC..  trans54.536179-61.3-44.5000113.1A34 H110 S114A34-D37 PolarHBondContact O-N 3.45Å; D37-H110 IonicContact OD1-CE1 2.94Å; D37-H110 IonicContact OD1-CG 3.96Å; D37-H110 IonicContact OD1-ND1 3.49Å; D37-H110 PolarHBondContact OD1-ND1 2.91Å; D37-S114 WeakPolarHBondContact CA-OG 3.35Å; D37-S114 PolarHBondContact O-OG 3.35Å
38V95.2Very high97.4Very high52 Ų5244.6 Ų44.632%0.31523%0.233SC..  trans-112.1148.4178-67.60000110.7L36 L40L36-V38 HydrophobicContact CB-CG2 3.93Å; L36-V38 PolarHBondContact O-N 3.05Å; V38-L40 PolarHBondContact O-N 3.43Å
39E96.8Very high97.4Very high73 Ų7340.1 Ų40.134%0.34122%0.216SC..PPolyproline II helixtrans-59.7127171.9-172.7162.1-143.200110.3R7 S114 A116 A117 S120R7-E39 PolarHBondContact NH2-O 3.46Å; E39-S114 WeakPolarHBondContact CB-O 3.33Å; E39-A116 PolarHBondContact OE1-N 3.21Å; E39-A116 WeakPolarHBondContact OE2-CB 3.45Å; E39-A117 WeakPolarHBondContact OE1-CB 3.49Å; E39-A117 PolarHBondContact OE1-N 3.37Å; E39-S120 PolarHBondContact OE1-OG 3.36Å
40L97.8Very high97.4Very high7 Ų741.8 Ų41.84%0.03723%0.226CC..PPolyproline II helixtrans-75.6138.4175.2-57.6-168.6000110V33 V38 E44 R45 L48 L111V33-L40 HydrophobicContact CG1-CD2 3.5Å; V33-L40 VanDerWaalsContact CG1-CD2 3.5Å; V38-L40 PolarHBondContact O-N 3.43Å; L40-E44 HydrophobicContact CB-CB 4.07Å; L40-E44 HydrophobicContact CD2-CB 4.42Å; L40-R45 HydrophobicContact CB-CB 4.29Å; L40-L48 HydrophobicContact CD1-CD2 4.25Å; L40-L111 HydrophobicContact CD1-CD2 3.61Å; L40-L111 HydrophobicContact CG-CD2 3.99Å
41T97Very high97.4Very high71 Ų7141.8 Ų41.844%0.43623%0.226SC..PPolyproline II helixtrans-65.3163.5165.762.70000110.7E43 E44 R45T41-E43 PolarHBondContact O-N 3.08Å; T41-E44 WeakPolarHBondContact CB-OE2 3.39Å; T41-E44 WeakPolarHBondContact CG2-OE2 3.36Å; T41-E44 PolarHBondContact N-OE2 3.29Å; T41-E44 PolarHBondContact O-N 3.01Å; T41-E44 VanDerWaalsContact OG1-CG 3.26Å; T41-E44 WeakPolarHBondContact OG1-CG 3.5Å; T41-E44 PolarHBondContact OG1-N 3Å; T41-E44 PolarHBondContact OG1-OE2 2.94Å; T41-R45 WeakPolarHBondContact O-CB 3.38Å; T41-R45 PolarHBondContact O-N 3.28Å
42V95.6Very high97.4Very high78 Ų7839.9 Ų39.947%0.47322%0.217SC..Hα-helixtrans-54-43175.1172.10000111.5N46V42-N46 WeakPolarHBondContact O-CB 3.36Å; V42-N46 PolarHBondContact O-N 3.03Å; V42-N46 PolarHBondContact O-ND2 3.33Å; V42-N46 PolarHBondContact O-OD1 2.97Å
43E97Very high97.4Very high102 Ų10243.9 Ų43.948%0.47723%0.232SC..Hα-helixtrans-63-48.8178.6-174.1179.5-146.900111.6K15 T41 N46 L47K15-E43 WeakPolarHBondContact CE-OE1 3.4Å; K15-E43 IonicContact NZ-OE1 3.69Å; K15-E43 PolarHBondContact NZ-OE1 2.81Å; K15-E43 IonicContact NZ-OE2 3.29Å; K15-E43 PolarHBondContact NZ-OE2 3.02Å; T41-E43 PolarHBondContact O-N 3.08Å; E43-N46 PolarHBondContact O-N 3.17Å; E43-L47 HydrophobicContact CG-CD1 4.35Å; E43-L47 WeakPolarHBondContact O-CG 3.41Å; E43-L47 PolarHBondContact O-N 3.46Å
44E98.2Very high97.5Very high13 Ų1346.6 Ų46.66%0.06125%0.246CC..Hα-helixtrans-64.8-42.7-179.6-71164.4141.800112.3R7 V11 M30 L40 T41 N46 L47 L48R7-E44 IonicContact CZ-OE1 3.55Å; R7-E44 IonicContact CZ-OE2 2.68Å; R7-E44 IonicContact NE-OE1 2.6Å; R7-E44 PolarHBondContact NE-OE1 3.29Å; R7-E44 IonicContact NE-OE2 3.7Å; R7-E44 VanDerWaalsContact NH2-CD 3.34Å; R7-E44 IonicContact NH2-OE1 2.65Å; R7-E44 PolarHBondContact NH2-OE1 3.03Å; R7-E44 IonicContact NH2-OE2 2.68Å; R7-E44 PolarHBondContact NH2-OE2 2.78Å; V11-E44 HydrophobicContact CG1-CG 4.44Å; V11-E44 HydrophobicContact CG2-CG 3.7Å; V11-E44 WeakPolarHBondContact CG2-OE1 3.36Å; M30-E44 HydrophobicContact CE-CB 3.85Å; M30-E44 HydrophobicContact CE-CG 4.36Å; M30-E44 VanDerWaalsContact CE-O 3.23Å; M30-E44 WeakPolarHBondContact CE-O 3.49Å; L40-E44 HydrophobicContact CB-CB 4.07Å; L40-E44 HydrophobicContact CD2-CB 4.42Å; T41-E44 WeakPolarHBondContact CB-OE2 3.39Å; T41-E44 WeakPolarHBondContact CG2-OE2 3.36Å; T41-E44 PolarHBondContact N-OE2 3.29Å; T41-E44 PolarHBondContact O-N 3.01Å; T41-E44 VanDerWaalsContact OG1-CG 3.26Å; T41-E44 WeakPolarHBondContact OG1-CG 3.5Å; T41-E44 PolarHBondContact OG1-N 3Å; T41-E44 PolarHBondContact OG1-OE2 2.94Å; E44-N46 VanDerWaalsContact C-N 3.28Å; E44-N46 PolarHBondContact O-N 3.26Å; E44-L47 PolarHBondContact O-N 3.24Å; E44-L48 PolarHBondContact O-N 3.37Å
45R97.9Very high97.5Very high10 Ų1047.1 Ų47.14%0.03825%0.25CC..Hα-helixtrans-59.7-42174.6-178.2-167.771.1-155.41.7111.2L40 T41 L48 S49 E119 F123 Y124L40-R45 HydrophobicContact CB-CB 4.29Å; T41-R45 WeakPolarHBondContact O-CB 3.38Å; T41-R45 PolarHBondContact O-N 3.28Å; R45-L48 PolarHBondContact O-N 3.02Å; R45-S49 WeakPolarHBondContact O-CB 3.25Å; R45-S49 PolarHBondContact O-N 2.88Å; R45-E119 IonicContact CZ-OE1 3.21Å; R45-E119 IonicContact NH1-OE1 2.7Å; R45-E119 PolarHBondContact NH1-OE1 2.8Å; R45-E119 IonicContact NH2-OE1 2.66Å; R45-E119 PolarHBondContact NH2-OE1 2.75Å; R45-F123 VanDerWaalsContact CD-CD1 3.49Å; R45-F123 VanDerWaalsContact CD-CG 3.47Å; R45-F123 HydrophobicContact CG-CD1 3.54Å; R45-F123 HydrophobicContact CG-CD2 4.41Å; R45-F123 HydrophobicContact CG-CE1 3.42Å; R45-F123 VanDerWaalsContact CG-CE1 3.42Å; R45-F123 HydrophobicContact CG-CE2 4.29Å; R45-F123 HydrophobicContact CG-CG 4.05Å; R45-F123 HydrophobicContact CG-CZ 3.81Å; R45-Y124 HydrophobicContact CG-CE1 3.93Å
46N96.8Very high97.6Very high70 Ų7043.9 Ų43.937%0.37423%0.232SC..Hα-helixtrans-65.4-43.5176.6-71.2-11000111.4V42 E43 E44 L48 S49 V50V42-N46 WeakPolarHBondContact O-CB 3.36Å; V42-N46 PolarHBondContact O-N 3.03Å; V42-N46 PolarHBondContact O-ND2 3.33Å; V42-N46 PolarHBondContact O-OD1 2.97Å; E43-N46 PolarHBondContact O-N 3.17Å; E44-N46 VanDerWaalsContact C-N 3.28Å; E44-N46 PolarHBondContact O-N 3.26Å; N46-L48 PolarHBondContact O-N 3.49Å; N46-S49 PolarHBondContact O-N 3.06Å; N46-V50 WeakPolarHBondContact O-CB 3.35Å; N46-V50 WeakPolarHBondContact O-CG2 3.25Å; N46-V50 PolarHBondContact O-N 3.4Å
47L98.5Very high97.6Very high7 Ų742.6 Ų42.64%0.03723%0.232CC..Hα-helixtrans-58-49.4175.1-71.6169.4000111.4V11 K15 E18 M26 M30 E43 E44 S49 V50 G51V11-L47 HydrophobicContact CG1-CD1 4.01Å; K15-L47 HydrophobicContact CG-CD1 3.92Å; K15-L47 HydrophobicContact CG-CD2 4.11Å; E18-L47 WeakPolarHBondContact OE2-CD2 3.42Å; M26-L47 HydrophobicContact CE-CB 3.75Å; M26-L47 HydrophobicContact CE-CD2 3.37Å; M26-L47 HydrophobicContact CE-CG 4.16Å; M26-L47 WeakPolarHBondContact CE-O 3.29Å; M30-L47 HydrophobicContact CE-CB 4.38Å; M30-L47 HydrophobicContact CG-CB 4.11Å; M30-L47 HydrophobicContact SD-CB 3.88Å; M30-L47 HydrophobicContact SD-CD1 4.25Å; E43-L47 HydrophobicContact CG-CD1 4.35Å; E43-L47 WeakPolarHBondContact O-CG 3.41Å; E43-L47 PolarHBondContact O-N 3.46Å; E44-L47 PolarHBondContact O-N 3.24Å; L47-S49 VanDerWaalsContact C-N 3.29Å; L47-S49 PolarHBondContact O-N 3.04Å; L47-V50 PolarHBondContact O-N 3.28Å; L47-G51 PolarHBondContact O-N 2.85Å
48L98.6Very high97.7Very high0 Ų040.4 Ų40.40%023%0.227CC..Hα-helixtrans-55.7-46.5176.3-178.978.9000111.3M30 L40 E44 R45 N46 G51 Y52 L111M30-L48 HydrophobicContact CB-CB 4.07Å; M30-L48 HydrophobicContact CB-CD1 3.53Å; M30-L48 HydrophobicContact CB-CG 4.42Å; M30-L48 HydrophobicContact CE-CB 4.39Å; M30-L48 HydrophobicContact CG-CB 4.42Å; L40-L48 HydrophobicContact CD1-CD2 4.25Å; E44-L48 PolarHBondContact O-N 3.37Å; R45-L48 PolarHBondContact O-N 3.02Å; N46-L48 PolarHBondContact O-N 3.49Å; L48-G51 PolarHBondContact O-N 3.32Å; L48-Y52 HydrophobicContact CD1-CD2 3.96Å; L48-Y52 HydrophobicContact CD1-CE2 3.68Å; L48-Y52 HydrophobicContact CG-CD2 4.12Å; L48-Y52 HydrophobicContact CG-CE2 4.26Å; L48-Y52 WeakPolarHBondContact O-CD2 3.35Å; L48-Y52 PolarHBondContact O-N 3.34Å; L48-Y52 VanDerWaalsContact O-N 3.14Å; L48-L111 HydrophobicContact CD2-CD1 3.4Å; L48-L111 HydrophobicContact CD2-CD2 4.33Å
49S98.1Very high97.9Very high32 Ų3241.4 Ų41.422%0.22423%0.225CC..Hα-helixtrans-64.3-46.3-179.5-169.20000112.5R45 N46 L47 G51 K53R45-S49 WeakPolarHBondContact O-CB 3.25Å; R45-S49 PolarHBondContact O-N 2.88Å; N46-S49 PolarHBondContact O-N 3.06Å; L47-S49 VanDerWaalsContact C-N 3.29Å; L47-S49 PolarHBondContact O-N 3.04Å; S49-G51 VanDerWaalsContact C-N 3.35Å; S49-G51 PolarHBondContact O-N 3.08Å; S49-K53 WeakPolarHBondContact O-CB 3.18Å; S49-K53 PolarHBondContact O-N 3.43Å
50V98.3Very high97.9Very high44 Ų4439.5 Ų39.527%0.26722%0.215SC..Hα-helixtrans-60.3-44.5177.4167.40000111Y23 M26 N46 L47 K53 N54Y23-V50 HydrophobicContact CE1-CG1 4.35Å; M26-V50 HydrophobicContact CE-CB 4.08Å; M26-V50 HydrophobicContact CE-CG1 4.03Å; M26-V50 HydrophobicContact SD-CG1 4.2Å; N46-V50 WeakPolarHBondContact O-CB 3.35Å; N46-V50 WeakPolarHBondContact O-CG2 3.25Å; N46-V50 PolarHBondContact O-N 3.4Å; L47-V50 PolarHBondContact O-N 3.28Å; V50-K53 PolarHBondContact O-N 3.03Å; V50-N54 PolarHBondContact O-N 3.47Å; V50-N54 VanDerWaalsContact O-N 3.09Å; V50-N54 PolarHBondContact O-ND2 2.91Å
51G98.7Very high98Very high0 Ų041.2 Ų41.20%023%0.23CC..Hα-helixtrans-56.7-60.2177.100000111.4M26 V27 L47 L48 S49 K53 N54 V55M26-G51 VanDerWaalsContact SD-CA 3.53Å; V27-G51 VanDerWaalsContact CG2-C 3.4Å; L47-G51 PolarHBondContact O-N 2.85Å; L48-G51 PolarHBondContact O-N 3.32Å; S49-G51 VanDerWaalsContact C-N 3.35Å; S49-G51 PolarHBondContact O-N 3.08Å; G51-K53 VanDerWaalsContact C-N 3.34Å; G51-K53 PolarHBondContact O-N 3.2Å; G51-N54 PolarHBondContact O-N 2.88Å; G51-V55 WeakPolarHBondContact O-CG2 3.43Å; G51-V55 PolarHBondContact O-N 2.92Å
52Y98.7Very high98Very high2 Ų240.4 Ų40.41%0.00823%0.227CC..Hα-helixtrans-62.8-39.2-178.7-83.7-72.5000112.8V27 K31 L48 N54 V55 I56 I99 D102 V103 M127 Y131V27-Y52 HydrophobicContact CG1-CD1 4.05Å; V27-Y52 HydrophobicContact CG1-CD2 4.27Å; V27-Y52 HydrophobicContact CG1-CE1 3.54Å; V27-Y52 HydrophobicContact CG1-CE2 3.8Å; V27-Y52 HydrophobicContact CG1-CG 4.39Å; V27-Y52 VanDerWaalsContact CG1-CZ 3.42Å; V27-Y52 HydrophobicContact CG2-CD1 3.98Å; V27-Y52 HydrophobicContact CG2-CD2 4.05Å; V27-Y52 HydrophobicContact CG2-CE1 4.34Å; V27-Y52 HydrophobicContact CG2-CE2 4.4Å; V27-Y52 HydrophobicContact CG2-CG 3.83Å; K31-Y52 WeakPolarHBondContact CD-OH 3.4Å; L48-Y52 HydrophobicContact CD1-CD2 3.96Å; L48-Y52 HydrophobicContact CD1-CE2 3.68Å; L48-Y52 HydrophobicContact CG-CD2 4.12Å; L48-Y52 HydrophobicContact CG-CE2 4.26Å; L48-Y52 WeakPolarHBondContact O-CD2 3.35Å; L48-Y52 PolarHBondContact O-N 3.34Å; L48-Y52 VanDerWaalsContact O-N 3.14Å; Y52-N54 VanDerWaalsContact C-N 3.33Å; Y52-N54 PolarHBondContact O-N 3.34Å; Y52-V55 PolarHBondContact O-N 3.33Å; Y52-I56 VanDerWaalsContact O-CG2 3.29Å; Y52-I56 WeakPolarHBondContact O-CG2 3.41Å; Y52-I56 PolarHBondContact O-N 3.19Å; Y52-I99 HydrophobicContact CD1-CG2 4.3Å; Y52-D102 PolarHBondContact OH-OD2 3.1Å; Y52-D102 VanDerWaalsContact OH-OD2 3.1Å; Y52-V103 HydrophobicContact CD1-CB 3.83Å; Y52-V103 HydrophobicContact CD1-CG2 3.89Å; Y52-V103 HydrophobicContact CD2-CB 4.37Å; Y52-V103 HydrophobicContact CD2-CG2 3.57Å; Y52-V103 HydrophobicContact CE1-CB 3.59Å; Y52-V103 HydrophobicContact CE1-CG2 3.87Å; Y52-V103 HydrophobicContact CE2-CB 4.15Å; Y52-V103 HydrophobicContact CE2-CG2 3.54Å; Y52-V103 HydrophobicContact CG-CB 4.21Å; Y52-V103 HydrophobicContact CG-CG2 3.73Å; Y52-M127 HydrophobicContact CD2-CE 4.13Å; Y52-M127 HydrophobicContact CG-CE 4.3Å; Y52-Y131 WeakPolarHBondContact CB-OH 3.39Å; Y52-Y131 PolarHBondContact O-OH 3.06Å
53K98.2Very high98.2Very high141 Ų14138.3 Ų38.361%0.61321%0.211SC*.Hα-helixtrans-58.4-42.2178.5179.8-179.2176.7-176.40112.1S49 V50 G51 G57 Y131S49-K53 WeakPolarHBondContact O-CB 3.18Å; S49-K53 PolarHBondContact O-N 3.43Å; V50-K53 PolarHBondContact O-N 3.03Å; G51-K53 VanDerWaalsContact C-N 3.34Å; G51-K53 PolarHBondContact O-N 3.2Å; K53-G57 WeakPolarHBondContact O-CA 3.49Å; K53-G57 PolarHBondContact O-N 3.34Å; K53-Y131 PolarHBondContact N-OH 3.36Å
54N98.3Very high98.3Very high58 Ų5838.6 Ų38.631%0.3121%0.208SC..Hα-helixtrans-71.8-44.1179.1-80.4-72.5000112Y23 V50 G51 Y52 G57 A58Y23-N54 HydrophobicContact CD1-CB 3.66Å; Y23-N54 HydrophobicContact CD2-CB 3.35Å; Y23-N54 HydrophobicContact CE1-CB 3.96Å; Y23-N54 WeakPolarHBondContact CE1-ND2 3.39Å; Y23-N54 HydrophobicContact CE2-CB 3.63Å; Y23-N54 HydrophobicContact CG-CB 3.34Å; Y23-N54 VanDerWaalsContact CZ-CG 3.45Å; V50-N54 PolarHBondContact O-N 3.47Å; V50-N54 VanDerWaalsContact O-N 3.09Å; V50-N54 PolarHBondContact O-ND2 2.91Å; G51-N54 PolarHBondContact O-N 2.88Å; Y52-N54 VanDerWaalsContact C-N 3.33Å; Y52-N54 PolarHBondContact O-N 3.34Å; N54-G57 PolarHBondContact O-N 2.85Å; N54-A58 PolarHBondContact O-N 3.34Å
55V98.3Very high98.3Very high12 Ų1242.8 Ų42.87%0.07323%0.229CC..Hα-helixtrans-59.4-51.61781770000111E24 V27 G51 Y52 R59 I99E24-V55 HydrophobicContact CG-CG1 4.37Å; E24-V55 HydrophobicContact CG-CG2 3.97Å; V27-V55 HydrophobicContact CG2-CG2 4.21Å; G51-V55 WeakPolarHBondContact O-CG2 3.43Å; G51-V55 PolarHBondContact O-N 2.92Å; Y52-V55 PolarHBondContact O-N 3.33Å; V55-R59 PolarHBondContact O-N 3.17Å; V55-I99 HydrophobicContact CG1-CD1 3.75Å; V55-I99 HydrophobicContact CG1-CG1 4.02Å; V55-I99 HydrophobicContact CG1-CG2 4.31Å
56I98.4Very high98.3Very high3 Ų343.3 Ų43.32%0.01523%0.233CC..Hα-helixtrans-68.9-37179.4-161.275.8000111.5Y52 A58 R59 R60 L96 I99 Y131 Y134Y52-I56 VanDerWaalsContact O-CG2 3.29Å; Y52-I56 WeakPolarHBondContact O-CG2 3.41Å; Y52-I56 PolarHBondContact O-N 3.19Å; I56-A58 PolarHBondContact O-N 3.5Å; I56-R59 PolarHBondContact O-N 3.06Å; I56-R60 HydrophobicContact CG1-CG 4.2Å; I56-R60 WeakPolarHBondContact O-CB 3.37Å; I56-R60 WeakPolarHBondContact O-CG 3.44Å; I56-R60 PolarHBondContact O-N 2.81Å; I56-L96 HydrophobicContact CD1-CD2 3.49Å; I56-L96 VanDerWaalsContact CD1-CD2 3.49Å; I56-L96 HydrophobicContact CG1-CD2 4.09Å; I56-I99 HydrophobicContact CB-CG2 4.07Å; I56-I99 HydrophobicContact CD1-CB 3.72Å; I56-I99 HydrophobicContact CD1-CD1 4.22Å; I56-I99 HydrophobicContact CD1-CG2 3.55Å; I56-I99 HydrophobicContact CG1-CG2 4.37Å; I56-Y131 HydrophobicContact CB-CE1 3.85Å; I56-Y131 HydrophobicContact CD1-CD1 4.43Å; I56-Y131 HydrophobicContact CD1-CE1 4.21Å; I56-Y131 HydrophobicContact CG1-CD1 4.38Å; I56-Y131 HydrophobicContact CG1-CE1 3.9Å; I56-Y131 HydrophobicContact CG2-CE1 3.85Å; I56-Y131 WeakPolarHBondContact CG2-OH 3.44Å; I56-Y134 HydrophobicContact CG1-CD2 3.93Å; I56-Y134 HydrophobicContact CG1-CE2 4.46Å; I56-Y134 HydrophobicContact CG2-CD2 4.38Å; I56-Y134 HydrophobicContact CG2-CE2 4.09Å
57G98.1Very high98.4Very high30 Ų3041.5 Ų41.531%0.30923%0.226SC..Hα-helixtrans-59.6-46.8-179.900000112.1K53 N54 R59 R60 A61K53-G57 WeakPolarHBondContact O-CA 3.49Å; K53-G57 PolarHBondContact O-N 3.34Å; N54-G57 PolarHBondContact O-N 2.85Å; G57-R59 PolarHBondContact O-N 3.27Å; G57-R60 PolarHBondContact O-N 3.21Å; G57-A61 WeakPolarHBondContact O-CB 3.35Å; G57-A61 PolarHBondContact O-N 3.36Å
58A97.8Very high98.4Very high43 Ų4343.4 Ų43.436%0.35524%0.239SC..Hα-helixtrans-59.1-45.6176.200000111.9N54 I56 A61 S62N54-A58 PolarHBondContact O-N 3.34Å; I56-A58 PolarHBondContact O-N 3.5Å; A58-A61 PolarHBondContact O-N 2.73Å; A58-S62 PolarHBondContact O-N 2.7Å; A58-S62 PolarHBondContact O-OG 3.36Å
59R98.4Very high98.3Very high73 Ų7346.7 Ų46.728%0.27526%0.256SS..Hα-helixtrans-71.2-36.7-178.5-85.638.5168.4-151.1-18.4112.1E24 V55 I56 G57 A61 S62 W63 V92 E95 L96 I99E24-R59 IonicContact OE1-CZ 3.07Å; E24-R59 IonicContact OE1-NH1 3.21Å; E24-R59 IonicContact OE1-NH2 2.78Å; E24-R59 PolarHBondContact OE1-NH2 3.37Å; V55-R59 PolarHBondContact O-N 3.17Å; I56-R59 PolarHBondContact O-N 3.06Å; G57-R59 PolarHBondContact O-N 3.27Å; R59-A61 VanDerWaalsContact C-N 3.33Å; R59-A61 PolarHBondContact O-N 3.24Å; R59-S62 PolarHBondContact O-N 2.88Å; R59-W63 WeakPolarHBondContact O-CB 3.43Å; R59-W63 PolarHBondContact O-N 2.86Å; R59-V92 WeakPolarHBondContact O-CG1 3.33Å; R59-E95 HydrophobicContact CG-CB 4.4Å; R59-E95 IonicContact NE-OE2 3.78Å; R59-L96 HydrophobicContact CB-CD2 3.52Å; R59-L96 HydrophobicContact CB-CG 3.98Å; R59-I99 HydrophobicContact CB-CD1 4.3Å; R59-I99 HydrophobicContact CG-CD1 4.03Å
60R98.2Very high98.3Very high33 Ų3345.8 Ų45.813%0.12525%0.248CC..Hα-helixtrans-64.9-37.7173.7-73.8178.466.5-132.814.2111.3I56 G57 W63 R64 L96 Y134 E137I56-R60 HydrophobicContact CG1-CG 4.2Å; I56-R60 WeakPolarHBondContact O-CB 3.37Å; I56-R60 WeakPolarHBondContact O-CG 3.44Å; I56-R60 PolarHBondContact O-N 2.81Å; G57-R60 PolarHBondContact O-N 3.21Å; R60-W63 PolarHBondContact O-N 2.9Å; R60-R64 VanDerWaalsContact CZ-NH2 3.28Å; R60-R64 WeakPolarHBondContact O-CG 3.14Å; R60-R64 PolarHBondContact O-N 3.49Å; R60-L96 HydrophobicContact CB-CD2 4.47Å; R60-L96 HydrophobicContact CG-CD1 4.48Å; R60-L96 HydrophobicContact CG-CD2 3.59Å; R60-Y134 VanDerWaalsContact CZ-CD1 3.46Å; R60-Y134 VanDerWaalsContact CZ-CE1 3.45Å; R60-E137 IonicContact CZ-OE1 2.66Å; R60-E137 IonicContact CZ-OE2 2.68Å; R60-E137 IonicContact NE-OE1 2.72Å; R60-E137 IonicContact NE-OE2 3.36Å; R60-E137 PolarHBondContact NE-OE2 2.88Å; R60-E137 VanDerWaalsContact NE-OE2 3.07Å; R60-E137 VanDerWaalsContact NH2-CD 3.3Å; R60-E137 IonicContact NH2-OE1 3.75Å; R60-E137 PolarHBondContact NH2-OE1 3.15Å; R60-E137 IonicContact NH2-OE2 2.86Å; R60-E137 PolarHBondContact NH2-OE2 3.31Å; R60-E137 VanDerWaalsContact NH2-OE2 3.08Å
61A98.4Very high98.3Very high44 Ų4449.7 Ų49.736%0.36426%0.264SS..Hα-helixtrans-63.6-46.9173.600000111.5G57 A58 R59 W63 R64 I65G57-A61 WeakPolarHBondContact O-CB 3.35Å; G57-A61 PolarHBondContact O-N 3.36Å; A58-A61 PolarHBondContact O-N 2.73Å; R59-A61 VanDerWaalsContact C-N 3.33Å; R59-A61 PolarHBondContact O-N 3.24Å; A61-W63 VanDerWaalsContact C-N 3.34Å; A61-W63 PolarHBondContact O-N 3.27Å; A61-R64 PolarHBondContact O-N 2.94Å; A61-I65 WeakPolarHBondContact O-CG1 3.27Å; A61-I65 PolarHBondContact O-N 3.11Å; A61-I65 VanDerWaalsContact O-N 3.08Å
62S98.5Very high98.3Very high54 Ų5455.2 Ų55.238%0.37829%0.288SS..Hα-helixtrans-57.3-46.2174.5-58.20000112A58 R59 I65 L66A58-S62 PolarHBondContact O-N 2.7Å; A58-S62 PolarHBondContact O-OG 3.36Å; R59-S62 PolarHBondContact O-N 2.88Å; S62-I65 PolarHBondContact O-N 3.1Å; S62-L66 VanDerWaalsContact O-CG 3.29Å; S62-L66 WeakPolarHBondContact O-CG 3.47Å; S62-L66 PolarHBondContact O-N 3.25Å
63W98.6Very high98.2Very high34 Ų3456.2 Ų56.213%0.12929%0.293CS..Hα-helixtrans-59-50177.8172.577.7000112.1R59 R60 A61 I65 L66 S67 V92 E93 L96 E137 F138R59-W63 WeakPolarHBondContact O-CB 3.43Å; R59-W63 PolarHBondContact O-N 2.86Å; R60-W63 PolarHBondContact O-N 2.9Å; A61-W63 VanDerWaalsContact C-N 3.34Å; A61-W63 PolarHBondContact O-N 3.27Å; W63-I65 VanDerWaalsContact C-N 3.33Å; W63-I65 PolarHBondContact O-N 3.44Å; W63-L66 PolarHBondContact O-N 3.41Å; W63-S67 PolarHBondContact O-N 3.39Å; W63-S67 PolarHBondContact O-OG 2.91Å; W63-S67 VanDerWaalsContact O-OG 3.05Å; W63-V92 HydrophobicContact CB-CG1 3.92Å; W63-E93 PolarHBondContact NE1-OE1 3.14Å; W63-L96 HydrophobicContact CB-CD1 3.79Å; W63-L96 HydrophobicContact CG-CD1 4.03Å; W63-E137 HydrophobicContact CH2-CB 4.11Å; W63-E137 HydrophobicContact CZ3-CB 4.25Å; W63-F138 HydrophobicContact CD2-CB 4.32Å; W63-F138 VanDerWaalsContact CE2-CB 3.46Å; W63-F138 HydrophobicContact CH2-CB 4.19Å; W63-F138 HydrophobicContact CZ2-CB 3.41Å; W63-F138 VanDerWaalsContact CZ2-CB 3.41Å
64R98.3Very high98.2Very high108 Ų10854.6 Ų54.641%0.40829%0.287SS..Hα-helixtrans-57.5-43.9177.8-73.8-176.1-177.688.511.5112.9R60 A61 S67 S68 E137R60-R64 VanDerWaalsContact CZ-NH2 3.28Å; R60-R64 WeakPolarHBondContact O-CG 3.14Å; R60-R64 PolarHBondContact O-N 3.49Å; A61-R64 PolarHBondContact O-N 2.94Å; R64-S67 PolarHBondContact O-N 3.05Å; R64-S68 PolarHBondContact O-N 3.4Å; R64-E137 IonicContact NH2-OE2 3.99Å; R64-E137 PolarHBondContact NH2-OE2 2.99Å
65I98.5Very high98.1Very high101 Ų10157.2 Ų57.252%0.51831%0.306SS..Hα-helixtrans-62.3-48.3178.3-69.1167.2000109.9A61 S62 W63 S67 S68 I69A61-I65 WeakPolarHBondContact O-CG1 3.27Å; A61-I65 PolarHBondContact O-N 3.11Å; A61-I65 VanDerWaalsContact O-N 3.08Å; S62-I65 PolarHBondContact O-N 3.1Å; W63-I65 VanDerWaalsContact C-N 3.33Å; W63-I65 PolarHBondContact O-N 3.44Å; I65-S67 PolarHBondContact O-N 3.37Å; I65-S68 PolarHBondContact O-N 3.15Å; I65-I69 HydrophobicContact CG2-CD1 3.63Å; I65-I69 HydrophobicContact CG2-CG1 4.32Å; I65-I69 VanDerWaalsContact O-CG1 3.27Å; I65-I69 WeakPolarHBondContact O-CG1 3.24Å; I65-I69 PolarHBondContact O-N 3.16Å
66L98.6Very high98.1Very high20 Ų2063 Ų6311%0.10533%0.329CS..Hα-helixtrans-62.4-43.7179.6-69.8170.3000111.9S62 W63 S68 I69 E70 I85 Y88 R89 V92S62-L66 VanDerWaalsContact O-CG 3.29Å; S62-L66 WeakPolarHBondContact O-CG 3.47Å; S62-L66 PolarHBondContact O-N 3.25Å; W63-L66 PolarHBondContact O-N 3.41Å; L66-S68 VanDerWaalsContact C-N 3.3Å; L66-S68 PolarHBondContact O-N 2.96Å; L66-I69 PolarHBondContact O-N 3.38Å; L66-E70 WeakPolarHBondContact O-CB 3.38Å; L66-E70 PolarHBondContact O-N 2.95Å; L66-I85 HydrophobicContact CB-CG2 4.46Å; L66-I85 HydrophobicContact CD2-CG2 4.28Å; L66-I85 WeakPolarHBondContact O-CG2 3.48Å; L66-Y88 HydrophobicContact CD1-CD1 3.94Å; L66-Y88 HydrophobicContact CD1-CE1 4.14Å; L66-Y88 HydrophobicContact CD1-CG 4.26Å; L66-Y88 HydrophobicContact CD2-CD1 3.56Å; L66-Y88 HydrophobicContact CD2-CE1 3.95Å; L66-Y88 HydrophobicContact CD2-CG 4.44Å; L66-Y88 HydrophobicContact CG-CD1 4.43Å; L66-R89 HydrophobicContact CB-CB 4.08Å; L66-R89 HydrophobicContact CB-CG 4.39Å; L66-R89 HydrophobicContact CD1-CB 4.47Å; L66-V92 HydrophobicContact CD1-CB 4.41Å; L66-V92 HydrophobicContact CD1-CG2 3.66Å
67S98.1Very high98Very high33 Ų3365.3 Ų65.323%0.23135%0.354CS..Hα-helixtrans-57.9-42.3174.2-59.80000111.9W63 R64 I65 Q71 R89W63-S67 PolarHBondContact O-N 3.39Å; W63-S67 PolarHBondContact O-OG 2.91Å; W63-S67 VanDerWaalsContact O-OG 3.05Å; R64-S67 PolarHBondContact O-N 3.05Å; I65-S67 PolarHBondContact O-N 3.37Å; S67-Q71 PolarHBondContact O-N 3.23Å; S67-Q71 VanDerWaalsContact O-N 3.12Å; S67-R89 WeakPolarHBondContact OG-CD 3.28Å
68S98.3Very high97.9Very high46 Ų4667.1 Ų67.132%0.32236%0.357SS..Hα-helixtrans-67.4-39.2176.9-174.60000112.8R64 I65 L66 K72R64-S68 PolarHBondContact O-N 3.4Å; I65-S68 PolarHBondContact O-N 3.15Å; L66-S68 VanDerWaalsContact C-N 3.3Å; L66-S68 PolarHBondContact O-N 2.96Å; S68-K72 VanDerWaalsContact O-CG 3.28Å; S68-K72 WeakPolarHBondContact O-CG 3.4Å; S68-K72 PolarHBondContact O-N 3.06Å; S68-K72 VanDerWaalsContact O-N 3.12Å
69I98.3Very high97.9Very high69 Ų6972.9 Ų72.935%0.35438%0.376SS..Hα-helixtrans-70.1-40.9178.1-61.9167.7000110.4I65 L66 K72 E73 I85I65-I69 HydrophobicContact CG2-CD1 3.63Å; I65-I69 HydrophobicContact CG2-CG1 4.32Å; I65-I69 VanDerWaalsContact O-CG1 3.27Å; I65-I69 WeakPolarHBondContact O-CG1 3.24Å; I65-I69 PolarHBondContact O-N 3.16Å; L66-I69 PolarHBondContact O-N 3.38Å; I69-K72 PolarHBondContact O-N 3.07Å; I69-E73 PolarHBondContact O-N 3.19Å; I69-I85 HydrophobicContact CG2-CD1 3.66Å; I69-I85 HydrophobicContact CG2-CG1 4.38Å
70E98.1Very high97.8Very high13 Ų1374.6 Ų74.66%0.06139%0.391CS..Hα-helixtrans-55.3-54174.6-176.8180179.700110.5L66 K72 E73 E74 I85 K86 R89L66-E70 WeakPolarHBondContact O-CB 3.38Å; L66-E70 PolarHBondContact O-N 2.95Å; E70-K72 PolarHBondContact O-N 3.43Å; E70-E73 PolarHBondContact O-N 3.4Å; E70-E74 WeakPolarHBondContact O-CG 3.35Å; E70-E74 PolarHBondContact O-N 2.67Å; E70-I85 HydrophobicContact CB-CB 4.31Å; E70-I85 HydrophobicContact CB-CG2 3.75Å; E70-K86 WeakPolarHBondContact OE1-CB 3.44Å; E70-K86 WeakPolarHBondContact OE1-CG 3.09Å; E70-R89 VanDerWaalsContact CD-NH2 3.33Å; E70-R89 IonicContact OE1-CZ 3.41Å; E70-R89 IonicContact OE1-NH2 4Å; E70-R89 PolarHBondContact OE1-NH2 3.21Å; E70-R89 IonicContact OE2-CZ 2.86Å; E70-R89 IonicContact OE2-NE 3.53Å; E70-R89 PolarHBondContact OE2-NE 3.37Å; E70-R89 IonicContact OE2-NH2 3.56Å; E70-R89 PolarHBondContact OE2-NH2 3.44Å
71Q97.6Very high97.8Very high126 Ų12676 Ų7659%0.58940%0.401SS*.Hα-helixtrans-57.2-38.1178.3-170.3-176.518.200112.3S67 T75S67-Q71 PolarHBondContact O-N 3.23Å; S67-Q71 VanDerWaalsContact O-N 3.12Å; Q71-T75 VanDerWaalsContact O-CG2 3.31Å; Q71-T75 WeakPolarHBondContact O-CG2 3.38Å; Q71-T75 PolarHBondContact O-N 2.97Å; Q71-T75 PolarHBondContact O-OG1 3.31Å
72K98Very high97.8Very high117 Ų11774.2 Ų74.251%0.50939%0.386SS..Hα-helixtrans-68.7-34176.4-75.3171.3-175.8170.90113.1S68 I69 E70 T75 K76S68-K72 VanDerWaalsContact O-CG 3.28Å; S68-K72 WeakPolarHBondContact O-CG 3.4Å; S68-K72 PolarHBondContact O-N 3.06Å; S68-K72 VanDerWaalsContact O-N 3.12Å; I69-K72 PolarHBondContact O-N 3.07Å; E70-K72 PolarHBondContact O-N 3.43Å; K72-T75 WeakPolarHBondContact CA-OG1 3.2Å; K72-T75 PolarHBondContact O-OG1 2.85Å; K72-K76 VanDerWaalsContact O-CG 3.29Å; K72-K76 WeakPolarHBondContact O-CG 3.34Å; K72-K76 PolarHBondContact O-N 3.27Å
73E98.1Very high97.8Very high23 Ų2377.7 Ų77.711%0.10739%0.394CS..Hα-helixtrans-77.6-35176.3-69.6-59.7117.300111.7I69 E70 K76 G77 N78 N81 A82 I85I69-E73 PolarHBondContact O-N 3.19Å; E70-E73 PolarHBondContact O-N 3.4Å; E73-K76 PolarHBondContact O-N 3.08Å; E73-K76 IonicContact OE1-NZ 3.75Å; E73-K76 PolarHBondContact OE1-NZ 3.07Å; E73-G77 PolarHBondContact O-N 2.95Å; E73-N78 HydrophobicContact CB-CB 4.31Å; E73-N78 PolarHBondContact O-N 2.84Å; E73-N78 VanDerWaalsContact OE2-CB 3.28Å; E73-N78 WeakPolarHBondContact OE2-CB 3.46Å; E73-N78 PolarHBondContact OE2-ND2 3.21Å; E73-N81 HydrophobicContact CB-CB 4.33Å; E73-N81 HydrophobicContact CG-CB 4.14Å; E73-N81 PolarHBondContact OE2-ND2 3.3Å; E73-N81 VanDerWaalsContact OE2-ND2 3.15Å; E73-A82 HydrophobicContact CB-CB 4.31Å; E73-I85 HydrophobicContact CB-CD1 4.03Å; E73-I85 HydrophobicContact CG-CD1 3.53Å
74E97.1Very high97.8Very high107 Ų10783.2 Ų83.250%0.542%0.415SS..Hα-helixtrans-60.8-46.3172-71178.915700111.6E70 K76 G77 A82E70-E74 WeakPolarHBondContact O-CG 3.35Å; E70-E74 PolarHBondContact O-N 2.67Å; E74-K76 PolarHBondContact O-N 3.37Å; E74-G77 PolarHBondContact O-N 2.95Å; E74-A82 HydrophobicContact CG-CB 3.64Å
75T97.3Very high97.8Very high113 Ų11379.3 Ų79.369%0.69340%0.402SS*.Hα-helixtrans-65.8-22.5178.549.30000113.8Q71 K72Q71-T75 VanDerWaalsContact O-CG2 3.31Å; Q71-T75 WeakPolarHBondContact O-CG2 3.38Å; Q71-T75 PolarHBondContact O-N 2.97Å; Q71-T75 PolarHBondContact O-OG1 3.31Å; K72-T75 WeakPolarHBondContact CA-OG1 3.2Å; K72-T75 PolarHBondContact O-OG1 2.85Å
76K97.1Very high97.8Very high132 Ų13279 Ų7957%0.57440%0.397SS*.THydrogen-bonded Turntrans-84.3-8.3171.8-67.7171.2-164.61680113.6K72 E73 E74 N78K72-K76 VanDerWaalsContact O-CG 3.29Å; K72-K76 WeakPolarHBondContact O-CG 3.34Å; K72-K76 PolarHBondContact O-N 3.27Å; E73-K76 PolarHBondContact O-N 3.08Å; E73-K76 IonicContact OE1-NZ 3.75Å; E73-K76 PolarHBondContact OE1-NZ 3.07Å; E74-K76 PolarHBondContact O-N 3.37Å; K76-N78 VanDerWaalsContact C-N 3.31Å
77G96.5Very high97.8Very high52 Ų5282.9 Ų82.954%0.53642%0.415SS..THydrogen-bonded Turntrans75.515.9-172.600000114.2E73 E74 E79E73-G77 PolarHBondContact O-N 2.95Å; E74-G77 PolarHBondContact O-N 2.95Å; G77-E79 PolarHBondContact O-N 3.32Å
78N97.1Very high97.8Very high68 Ų6887.7 Ų87.736%0.36443%0.429SS..  trans-82.764.8179.7-70.6-20.8000111.1E73 K76 L80 N81 A82E73-N78 HydrophobicContact CB-CB 4.31Å; E73-N78 PolarHBondContact O-N 2.84Å; E73-N78 VanDerWaalsContact OE2-CB 3.28Å; E73-N78 WeakPolarHBondContact OE2-CB 3.46Å; E73-N78 PolarHBondContact OE2-ND2 3.21Å; K76-N78 VanDerWaalsContact C-N 3.31Å; N78-L80 VanDerWaalsContact C-N 3.28Å; N78-L80 PolarHBondContact O-N 3.48Å; N78-L80 VanDerWaalsContact O-N 3.16Å; N78-N81 HydrophobicContact CB-CB 4.17Å; N78-N81 PolarHBondContact O-N 3.14Å; N78-A82 PolarHBondContact O-N 2.9Å
79E96.1Very high97.8Very high164 Ų16487.4 Ų87.477%0.76642%0.421SS*.Hα-helixtrans-53.6-40.1-171.8-64.4-176.7176.200113.8G77 A82 K83G77-E79 PolarHBondContact O-N 3.32Å; E79-A82 PolarHBondContact O-N 3.49Å; E79-K83 WeakPolarHBondContact O-CB 3.44Å; E79-K83 PolarHBondContact O-N 3.47Å
80L97.7Very high97.8Very high109 Ų10988.9 Ų88.957%0.57143%0.426SS*.Hα-helixtrans-65.6-40.1179-177.763.2000112.2N78 R84N78-L80 VanDerWaalsContact C-N 3.28Å; N78-L80 PolarHBondContact O-N 3.48Å; N78-L80 VanDerWaalsContact O-N 3.16Å; L80-R84 WeakPolarHBondContact O-CG 3.4Å; L80-R84 PolarHBondContact O-N 3.32Å
81N98.1Very high97.8Very high63 Ų6394 Ų9434%0.33745%0.448SS..Hα-helixtrans-71.4-44.6177.4-71.7-16.9000110.5E73 N78 K83 R84 I85E73-N81 HydrophobicContact CB-CB 4.33Å; E73-N81 HydrophobicContact CG-CB 4.14Å; E73-N81 PolarHBondContact OE2-ND2 3.3Å; E73-N81 VanDerWaalsContact OE2-ND2 3.15Å; N78-N81 HydrophobicContact CB-CB 4.17Å; N78-N81 PolarHBondContact O-N 3.14Å; N81-K83 VanDerWaalsContact C-N 3.26Å; N81-K83 PolarHBondContact O-N 2.96Å; N81-R84 PolarHBondContact O-N 3.38Å; N81-R84 VanDerWaalsContact O-N 3.1Å; N81-I85 WeakPolarHBondContact O-CD1 3.33Å; N81-I85 VanDerWaalsContact O-CG1 3.28Å; N81-I85 WeakPolarHBondContact O-CG1 3.49Å; N81-I85 PolarHBondContact O-N 3.38Å
82A98.2Very high97.9Very high7 Ų788.2 Ų88.26%0.05842%0.421CS..Hα-helixtrans-53.6-45.8175.300000111.1E73 E74 N78 E79 R84 I85 K86E73-A82 HydrophobicContact CB-CB 4.31Å; E74-A82 HydrophobicContact CG-CB 3.64Å; N78-A82 PolarHBondContact O-N 2.9Å; E79-A82 PolarHBondContact O-N 3.49Å; A82-R84 PolarHBondContact O-N 3.09Å; A82-I85 PolarHBondContact O-N 3.36Å; A82-K86 WeakPolarHBondContact O-CB 3.3Å; A82-K86 PolarHBondContact O-N 3.48Å
83K98.2Very high97.9Very high127 Ų12783.9 Ų83.955%0.55240%0.403SS*.Hα-helixtrans-60-45.5175.5-173.5179.4177-176.70113.1E79 N81 I85 K86 E87E79-K83 WeakPolarHBondContact O-CB 3.44Å; E79-K83 PolarHBondContact O-N 3.47Å; N81-K83 VanDerWaalsContact C-N 3.26Å; N81-K83 PolarHBondContact O-N 2.96Å; K83-I85 VanDerWaalsContact C-N 3.34Å; K83-I85 PolarHBondContact O-N 2.86Å; K83-K86 WeakPolarHBondContact O-CB 3.22Å; K83-K86 PolarHBondContact O-N 3.4Å; K83-E87 VanDerWaalsContact CE-OE1 3.24Å; K83-E87 WeakPolarHBondContact CE-OE1 3.44Å; K83-E87 WeakPolarHBondContact O-CG 3.28Å; K83-E87 PolarHBondContact O-N 3.22Å
84R98.4Very high97.9Very high149 Ų14987.8 Ų87.856%0.56242%0.424SS*.Hα-helixtrans-62.3-41.2177.5-71.6170.4178.3176.3-1.6112L80 N81 A82 E87 Y88L80-R84 WeakPolarHBondContact O-CG 3.4Å; L80-R84 PolarHBondContact O-N 3.32Å; N81-R84 PolarHBondContact O-N 3.38Å; N81-R84 VanDerWaalsContact O-N 3.1Å; A82-R84 PolarHBondContact O-N 3.09Å; R84-E87 PolarHBondContact O-N 3.47Å; R84-Y88 PolarHBondContact O-N 3.28Å; R84-Y88 VanDerWaalsContact O-N 3.09Å
85I98.5Very high98Very high26 Ų2685.8 Ų85.813%0.13342%0.415CS..Hα-helixtrans-67.5-41.9178.5-62.3155.1000110L66 I69 E70 E73 N81 A82 K83 E87 Y88 R89L66-I85 HydrophobicContact CB-CG2 4.46Å; L66-I85 HydrophobicContact CD2-CG2 4.28Å; L66-I85 WeakPolarHBondContact O-CG2 3.48Å; I69-I85 HydrophobicContact CG2-CD1 3.66Å; I69-I85 HydrophobicContact CG2-CG1 4.38Å; E70-I85 HydrophobicContact CB-CB 4.31Å; E70-I85 HydrophobicContact CB-CG2 3.75Å; E73-I85 HydrophobicContact CB-CD1 4.03Å; E73-I85 HydrophobicContact CG-CD1 3.53Å; N81-I85 WeakPolarHBondContact O-CD1 3.33Å; N81-I85 VanDerWaalsContact O-CG1 3.28Å; N81-I85 WeakPolarHBondContact O-CG1 3.49Å; N81-I85 PolarHBondContact O-N 3.38Å; A82-I85 PolarHBondContact O-N 3.36Å; K83-I85 VanDerWaalsContact C-N 3.34Å; K83-I85 PolarHBondContact O-N 2.86Å; I85-E87 PolarHBondContact O-N 2.56Å; I85-Y88 PolarHBondContact O-N 3.28Å; I85-R89 WeakPolarHBondContact O-CB 3.29Å; I85-R89 PolarHBondContact O-N 2.98Å
86K98.3Very high98Very high94 Ų9480.5 Ų80.541%0.40938%0.382SS..Hα-helixtrans-57.4-48.1174.7-177.3170.8-175.9169.50112.3E70 A82 K83 Y88 R89 Q90E70-K86 WeakPolarHBondContact OE1-CB 3.44Å; E70-K86 WeakPolarHBondContact OE1-CG 3.09Å; A82-K86 WeakPolarHBondContact O-CB 3.3Å; A82-K86 PolarHBondContact O-N 3.48Å; K83-K86 WeakPolarHBondContact O-CB 3.22Å; K83-K86 PolarHBondContact O-N 3.4Å; K86-Y88 VanDerWaalsContact C-N 3.29Å; K86-Y88 PolarHBondContact O-N 3.39Å; K86-R89 PolarHBondContact O-N 3.02Å; K86-Q90 VanDerWaalsContact O-CG 3.31Å; K86-Q90 WeakPolarHBondContact O-CG 3.22Å; K86-Q90 PolarHBondContact O-N 3.34Å
87E98.4Very high98.1Very high103 Ų10374.6 Ų74.648%0.48136%0.357SS..Hα-helixtrans-59-41.3176.1-72.9169.6-173.900111.3K83 R84 I85 Q90 K91K83-E87 VanDerWaalsContact CE-OE1 3.24Å; K83-E87 WeakPolarHBondContact CE-OE1 3.44Å; K83-E87 WeakPolarHBondContact O-CG 3.28Å; K83-E87 PolarHBondContact O-N 3.22Å; R84-E87 PolarHBondContact O-N 3.47Å; I85-E87 PolarHBondContact O-N 2.56Å; E87-Q90 PolarHBondContact O-N 2.96Å; E87-K91 PolarHBondContact O-N 3.45Å
88Y98.4Very high98.2Very high134 Ų13476.6 Ų76.653%0.52536%0.356SS..Hα-helixtrans-70-40.5177-172.5-152.4000112.7L66 R84 I85 K86 Q90 K91 V92L66-Y88 HydrophobicContact CD1-CD1 3.94Å; L66-Y88 HydrophobicContact CD1-CE1 4.14Å; L66-Y88 HydrophobicContact CD1-CG 4.26Å; L66-Y88 HydrophobicContact CD2-CD1 3.56Å; L66-Y88 HydrophobicContact CD2-CE1 3.95Å; L66-Y88 HydrophobicContact CD2-CG 4.44Å; L66-Y88 HydrophobicContact CG-CD1 4.43Å; R84-Y88 PolarHBondContact O-N 3.28Å; R84-Y88 VanDerWaalsContact O-N 3.09Å; I85-Y88 PolarHBondContact O-N 3.28Å; K86-Y88 VanDerWaalsContact C-N 3.29Å; K86-Y88 PolarHBondContact O-N 3.39Å; Y88-Q90 VanDerWaalsContact C-N 3.31Å; Y88-Q90 PolarHBondContact O-N 3.49Å; Y88-K91 HydrophobicContact CD2-CB 4.47Å; Y88-K91 HydrophobicContact CD2-CD 4.45Å; Y88-K91 HydrophobicContact CE2-CD 4.5Å; Y88-K91 WeakPolarHBondContact O-CB 3.4Å; Y88-K91 PolarHBondContact O-N 3.23Å; Y88-K91 VanDerWaalsContact O-N 3.16Å; Y88-V92 HydrophobicContact CE2-CG2 4.44Å; Y88-V92 PolarHBondContact O-N 2.68Å
89R98.4Very high98.3Very high40 Ų4074.5 Ų74.515%0.15134%0.344CS..Hα-helixtrans-58.7-43.9174179.5177.950.790.7-9.5111.2L66 S67 E70 I85 K86 K91 V92 E93L66-R89 HydrophobicContact CB-CB 4.08Å; L66-R89 HydrophobicContact CB-CG 4.39Å; L66-R89 HydrophobicContact CD1-CB 4.47Å; S67-R89 WeakPolarHBondContact OG-CD 3.28Å; E70-R89 VanDerWaalsContact CD-NH2 3.33Å; E70-R89 IonicContact OE1-CZ 3.41Å; E70-R89 IonicContact OE1-NH2 4Å; E70-R89 PolarHBondContact OE1-NH2 3.21Å; E70-R89 IonicContact OE2-CZ 2.86Å; E70-R89 IonicContact OE2-NE 3.53Å; E70-R89 PolarHBondContact OE2-NE 3.37Å; E70-R89 IonicContact OE2-NH2 3.56Å; E70-R89 PolarHBondContact OE2-NH2 3.44Å; I85-R89 WeakPolarHBondContact O-CB 3.29Å; I85-R89 PolarHBondContact O-N 2.98Å; K86-R89 PolarHBondContact O-N 3.02Å; R89-K91 PolarHBondContact O-N 3.24Å; R89-V92 CarbonylContact O-C 3.57Å; R89-V92 WeakPolarHBondContact O-CA 3.38Å; R89-V92 WeakPolarHBondContact O-CB 3.49Å; R89-V92 PolarHBondContact O-N 3.44Å; R89-E93 HydrophobicContact CG-CG 4.35Å; R89-E93 IonicContact CZ-OE1 3.37Å; R89-E93 IonicContact NH1-OE1 2.81Å; R89-E93 PolarHBondContact NH1-OE1 3.25Å; R89-E93 IonicContact NH1-OE2 3Å; R89-E93 PolarHBondContact NH1-OE2 3.13Å; R89-E93 WeakPolarHBondContact O-CG 3.42Å; R89-E93 PolarHBondContact O-N 3.16Å
90Q98.3Very high98.4Very high99 Ų9966.7 Ų66.746%0.46331%0.308SS..Hα-helixtrans-60.8-33.3177.5-74.6176.1-29.100112.7K86 E87 Y88 E93 L94K86-Q90 VanDerWaalsContact O-CG 3.31Å; K86-Q90 WeakPolarHBondContact O-CG 3.22Å; K86-Q90 PolarHBondContact O-N 3.34Å; E87-Q90 PolarHBondContact O-N 2.96Å; Y88-Q90 VanDerWaalsContact C-N 3.31Å; Y88-Q90 PolarHBondContact O-N 3.49Å; Q90-E93 PolarHBondContact O-N 3.44Å; Q90-L94 PolarHBondContact O-N 2.9Å
91K98.5Very high98.5Very high122 Ų12265.7 Ų65.753%0.5330%0.303SS..Hα-helixtrans-62.6-45.3171.1-174.1-173.4172.1-172.90111.3E87 Y88 R89 E93 L94 E95E87-K91 PolarHBondContact O-N 3.45Å; Y88-K91 HydrophobicContact CD2-CB 4.47Å; Y88-K91 HydrophobicContact CD2-CD 4.45Å; Y88-K91 HydrophobicContact CE2-CD 4.5Å; Y88-K91 WeakPolarHBondContact O-CB 3.4Å; Y88-K91 PolarHBondContact O-N 3.23Å; Y88-K91 VanDerWaalsContact O-N 3.16Å; R89-K91 PolarHBondContact O-N 3.24Å; K91-E93 VanDerWaalsContact C-N 3.32Å; K91-E93 PolarHBondContact O-N 3.22Å; K91-L94 WeakPolarHBondContact O-CB 3.25Å; K91-L94 PolarHBondContact O-N 3.46Å; K91-E95 WeakPolarHBondContact CE-OE1 3.34Å; K91-E95 WeakPolarHBondContact O-CG 3.48Å; K91-E95 PolarHBondContact O-N 2.93Å
92V98.6Very high98.5Very high4 Ų464.2 Ų64.22%0.02430%0.295CS..Hα-helixtrans-65.2-36.3176.51800000111.4R59 W63 L66 Y88 R89 L94 E95 L96R59-V92 WeakPolarHBondContact O-CG1 3.33Å; W63-V92 HydrophobicContact CB-CG1 3.92Å; L66-V92 HydrophobicContact CD1-CB 4.41Å; L66-V92 HydrophobicContact CD1-CG2 3.66Å; Y88-V92 HydrophobicContact CE2-CG2 4.44Å; Y88-V92 PolarHBondContact O-N 2.68Å; R89-V92 CarbonylContact O-C 3.57Å; R89-V92 WeakPolarHBondContact O-CA 3.38Å; R89-V92 WeakPolarHBondContact O-CB 3.49Å; R89-V92 PolarHBondContact O-N 3.44Å; V92-L94 VanDerWaalsContact C-N 3.32Å; V92-L94 PolarHBondContact O-N 3.35Å; V92-E95 WeakPolarHBondContact O-CB 3.29Å; V92-E95 PolarHBondContact O-N 3.34Å; V92-L96 HydrophobicContact CG1-CD1 4.39Å; V92-L96 WeakPolarHBondContact O-CB 3.33Å; V92-L96 WeakPolarHBondContact O-CG 3.06Å; V92-L96 PolarHBondContact O-N 3.42Å
93E98.6Very high98.5Very high26 Ų2663.9 Ų63.912%0.12129%0.292CS..Hα-helixtrans-64.2-35.7174.6-70.9172.9171.600112.5W63 R89 Q90 K91 S97 F138W63-E93 PolarHBondContact NE1-OE1 3.14Å; R89-E93 HydrophobicContact CG-CG 4.35Å; R89-E93 IonicContact CZ-OE1 3.37Å; R89-E93 IonicContact NH1-OE1 2.81Å; R89-E93 PolarHBondContact NH1-OE1 3.25Å; R89-E93 IonicContact NH1-OE2 3Å; R89-E93 PolarHBondContact NH1-OE2 3.13Å; R89-E93 WeakPolarHBondContact O-CG 3.42Å; R89-E93 PolarHBondContact O-N 3.16Å; Q90-E93 PolarHBondContact O-N 3.44Å; K91-E93 VanDerWaalsContact C-N 3.32Å; K91-E93 PolarHBondContact O-N 3.22Å; E93-S97 WeakPolarHBondContact O-CB 3.35Å; E93-S97 PolarHBondContact O-N 2.97Å; E93-S97 PolarHBondContact O-OG 2.87Å; E93-F138 HydrophobicContact CB-CD2 3.71Å; E93-F138 HydrophobicContact CB-CE2 3.84Å; E93-F138 HydrophobicContact CG-CB 4.2Å; E93-F138 HydrophobicContact CG-CD2 3.62Å; E93-F138 HydrophobicContact CG-CE2 4.24Å; E93-F138 HydrophobicContact CG-CG 4.07Å; E93-F138 WeakPolarHBondContact O-CE2 3.47Å
94L98.5Very high98.5Very high104 Ų10458.1 Ų58.155%0.54527%0.268SS..Hα-helixtrans-66.4-43.9172.2-179.862.2000111.2Q90 K91 V92 S97 N98Q90-L94 PolarHBondContact O-N 2.9Å; K91-L94 WeakPolarHBondContact O-CB 3.25Å; K91-L94 PolarHBondContact O-N 3.46Å; V92-L94 VanDerWaalsContact C-N 3.32Å; V92-L94 PolarHBondContact O-N 3.35Å; L94-S97 PolarHBondContact O-N 3.01Å; L94-N98 PolarHBondContact O-N 2.88Å; L94-N98 PolarHBondContact O-ND2 3.38Å
95E98.6Very high98.5Very high66 Ų6656.5 Ų56.531%0.30826%0.261SS..Hα-helixtrans-59.9-46.1175-68170.4-162.800111.4R59 K91 V92 S97 N98 I99R59-E95 HydrophobicContact CG-CB 4.4Å; R59-E95 IonicContact NE-OE2 3.78Å; K91-E95 WeakPolarHBondContact CE-OE1 3.34Å; K91-E95 WeakPolarHBondContact O-CG 3.48Å; K91-E95 PolarHBondContact O-N 2.93Å; V92-E95 WeakPolarHBondContact O-CB 3.29Å; V92-E95 PolarHBondContact O-N 3.34Å; E95-S97 PolarHBondContact O-N 3.32Å; E95-N98 PolarHBondContact O-N 3.46Å; E95-I99 WeakPolarHBondContact O-CD1 3.4Å; E95-I99 VanDerWaalsContact O-CG1 3.29Å; E95-I99 WeakPolarHBondContact O-CG1 3.26Å; E95-I99 PolarHBondContact O-N 3.48Å
96L98.6Very high98.5Very high1 Ų155.4 Ų55.41%0.00526%0.256CS..Hα-helixtrans-58.3-47173.9-77.1172.5000111.9I56 R59 R60 W63 V92 N98 I99 C100 F138I56-L96 HydrophobicContact CD1-CD2 3.49Å; I56-L96 VanDerWaalsContact CD1-CD2 3.49Å; I56-L96 HydrophobicContact CG1-CD2 4.09Å; R59-L96 HydrophobicContact CB-CD2 3.52Å; R59-L96 HydrophobicContact CB-CG 3.98Å; R60-L96 HydrophobicContact CB-CD2 4.47Å; R60-L96 HydrophobicContact CG-CD1 4.48Å; R60-L96 HydrophobicContact CG-CD2 3.59Å; W63-L96 HydrophobicContact CB-CD1 3.79Å; W63-L96 HydrophobicContact CG-CD1 4.03Å; V92-L96 HydrophobicContact CG1-CD1 4.39Å; V92-L96 WeakPolarHBondContact O-CB 3.33Å; V92-L96 WeakPolarHBondContact O-CG 3.06Å; V92-L96 PolarHBondContact O-N 3.42Å; L96-N98 VanDerWaalsContact C-N 3.28Å; L96-N98 PolarHBondContact O-N 3.43Å; L96-I99 PolarHBondContact O-N 3.25Å; L96-C100 PolarHBondContact O-N 3.13Å; L96-C100 PolarHBondContact O-SG 3.17Å; L96-C100 VanDerWaalsContact O-SG 3.41Å; L96-F138 HydrophobicContact CB-CE1 3.72Å; L96-F138 HydrophobicContact CB-CZ 3.75Å; L96-F138 HydrophobicContact CD1-CD1 4.07Å; L96-F138 HydrophobicContact CD1-CE1 4.01Å; L96-F138 HydrophobicContact CG-CE1 4.47Å
97S98.6Very high98.5Very high9 Ų951 Ų516%0.06324%0.236CC..Hα-helixtrans-59.2-42.3178.8-60.30000111.3E93 L94 E95 C100 N101 F138E93-S97 WeakPolarHBondContact O-CB 3.35Å; E93-S97 PolarHBondContact O-N 2.97Å; E93-S97 PolarHBondContact O-OG 2.87Å; L94-S97 PolarHBondContact O-N 3.01Å; E95-S97 PolarHBondContact O-N 3.32Å; S97-C100 PolarHBondContact O-N 2.89Å; S97-N101 WeakPolarHBondContact O-CB 3.49Å; S97-N101 PolarHBondContact O-N 2.97Å; S97-N101 PolarHBondContact O-ND2 3.15Å; S97-F138 WeakPolarHBondContact OG-CE2 3.39Å; S97-F138 WeakPolarHBondContact OG-CZ 3.34Å
98N98.6Very high98.5Very high93 Ų9349.1 Ų49.150%0.49723%0.23SC..Hα-helixtrans-65.1-43.8178.3-68.2-22.2000111.9L94 E95 L96 N101 D102L94-N98 PolarHBondContact O-N 2.88Å; L94-N98 PolarHBondContact O-ND2 3.38Å; E95-N98 PolarHBondContact O-N 3.46Å; L96-N98 VanDerWaalsContact C-N 3.28Å; L96-N98 PolarHBondContact O-N 3.43Å; N98-N101 PolarHBondContact O-N 3.39Å; N98-D102 VanDerWaalsContact O-CB 3.24Å; N98-D102 WeakPolarHBondContact O-CB 3.02Å; N98-D102 PolarHBondContact O-N 3.41Å
99I98.6Very high98.5Very high25 Ų2548 Ų4813%0.12823%0.23CC..Hα-helixtrans-63.4-45.3177.9-62.8155.7000110.6Y52 V55 I56 R59 E95 L96 D102 V103 Y131Y52-I99 HydrophobicContact CD1-CG2 4.3Å; V55-I99 HydrophobicContact CG1-CD1 3.75Å; V55-I99 HydrophobicContact CG1-CG1 4.02Å; V55-I99 HydrophobicContact CG1-CG2 4.31Å; I56-I99 HydrophobicContact CB-CG2 4.07Å; I56-I99 HydrophobicContact CD1-CB 3.72Å; I56-I99 HydrophobicContact CD1-CD1 4.22Å; I56-I99 HydrophobicContact CD1-CG2 3.55Å; I56-I99 HydrophobicContact CG1-CG2 4.37Å; R59-I99 HydrophobicContact CB-CD1 4.3Å; R59-I99 HydrophobicContact CG-CD1 4.03Å; E95-I99 WeakPolarHBondContact O-CD1 3.4Å; E95-I99 VanDerWaalsContact O-CG1 3.29Å; E95-I99 WeakPolarHBondContact O-CG1 3.26Å; E95-I99 PolarHBondContact O-N 3.48Å; L96-I99 PolarHBondContact O-N 3.25Å; I99-D102 PolarHBondContact O-N 3.07Å; I99-V103 PolarHBondContact O-N 3.3Å; I99-V103 VanDerWaalsContact O-N 3.11Å; I99-Y131 HydrophobicContact CG2-CE1 4.36Å
100C98.6Very high98.5Very high0 Ų047.7 Ų47.70%023%0.23CC..Hα-helixtrans-61-50.9176.5-68.10000111L96 S97 D102 V103 M104 Y131 L135L96-C100 PolarHBondContact O-N 3.13Å; L96-C100 PolarHBondContact O-SG 3.17Å; L96-C100 VanDerWaalsContact O-SG 3.41Å; S97-C100 PolarHBondContact O-N 2.89Å; C100-D102 PolarHBondContact O-N 3.42Å; C100-V103 WeakPolarHBondContact O-CG1 3.43Å; C100-V103 PolarHBondContact O-N 3.5Å; C100-M104 VanDerWaalsContact O-CB 3.23Å; C100-M104 WeakPolarHBondContact O-CB 3.31Å; C100-M104 WeakPolarHBondContact O-CG 3.46Å; C100-M104 PolarHBondContact O-N 3.34Å; C100-Y131 HydrophobicContact CB-CD1 4.32Å; C100-Y131 PolarHBondContact SG-O 3.43Å; C100-Y131 VanDerWaalsContact SG-O 3.39Å; C100-L135 HydrophobicContact CB-CD1 3.81Å; C100-L135 HydrophobicContact CB-CD2 3.68Å; C100-L135 HydrophobicContact CB-CG 3.57Å
101N98.5Very high98.5Very high88 Ų8843.1 Ų43.147%0.47121%0.209SC..Hα-helixtrans-62-33.7179.9-69.7-23.4000112.6S97 N98 R105S97-N101 WeakPolarHBondContact O-CB 3.49Å; S97-N101 PolarHBondContact O-N 2.97Å; S97-N101 PolarHBondContact O-ND2 3.15Å; N98-N101 PolarHBondContact O-N 3.39Å; N101-R105 WeakPolarHBondContact O-CB 3.32Å; N101-R105 PolarHBondContact O-N 3Å
102D98.5Very high98.5Very high31 Ų3138.9 Ų38.917%0.16619%0.191CC..Hα-helixtrans-65.1-49.7177.4-168.255.3000112.1K31 Y52 N98 I99 C100 M104 R105 V106K31-D102 WeakPolarHBondContact CE-OD2 3.45Å; K31-D102 IonicContact NZ-OD1 2.86Å; K31-D102 PolarHBondContact NZ-OD1 3.06Å; K31-D102 IonicContact NZ-OD2 3.16Å; K31-D102 PolarHBondContact NZ-OD2 2.88Å; Y52-D102 PolarHBondContact OH-OD2 3.1Å; Y52-D102 VanDerWaalsContact OH-OD2 3.1Å; N98-D102 VanDerWaalsContact O-CB 3.24Å; N98-D102 WeakPolarHBondContact O-CB 3.02Å; N98-D102 PolarHBondContact O-N 3.41Å; I99-D102 PolarHBondContact O-N 3.07Å; C100-D102 PolarHBondContact O-N 3.42Å; D102-M104 VanDerWaalsContact C-N 3.32Å; D102-M104 PolarHBondContact O-N 3.38Å; D102-R105 PolarHBondContact O-N 2.88Å; D102-R105 IonicContact OD1-CZ 2.63Å; D102-R105 IonicContact OD1-NH2 3.95Å; D102-R105 PolarHBondContact OD1-NH2 2.98Å; D102-V106 WeakPolarHBondContact O-CG2 3.45Å; D102-V106 PolarHBondContact O-N 3.37Å; D102-V106 VanDerWaalsContact O-N 3.13Å
103V98.4Very high98.4Very high0 Ų043 Ų430%022%0.218CC..Hα-helixtrans-68.1-37.2179.381.50000111.9Y52 I99 C100 R105 V106 I107 M127 Y131Y52-V103 HydrophobicContact CD1-CB 3.83Å; Y52-V103 HydrophobicContact CD1-CG2 3.89Å; Y52-V103 HydrophobicContact CD2-CB 4.37Å; Y52-V103 HydrophobicContact CD2-CG2 3.57Å; Y52-V103 HydrophobicContact CE1-CB 3.59Å; Y52-V103 HydrophobicContact CE1-CG2 3.87Å; Y52-V103 HydrophobicContact CE2-CB 4.15Å; Y52-V103 HydrophobicContact CE2-CG2 3.54Å; Y52-V103 HydrophobicContact CG-CB 4.21Å; Y52-V103 HydrophobicContact CG-CG2 3.73Å; I99-V103 PolarHBondContact O-N 3.3Å; I99-V103 VanDerWaalsContact O-N 3.11Å; C100-V103 WeakPolarHBondContact O-CG1 3.43Å; C100-V103 PolarHBondContact O-N 3.5Å; V103-R105 VanDerWaalsContact C-N 3.32Å; V103-R105 PolarHBondContact O-N 3.37Å; V103-V106 PolarHBondContact O-N 3.25Å; V103-I107 HydrophobicContact CG2-CD1 4.14Å; V103-I107 WeakPolarHBondContact O-CB 3.23Å; V103-I107 VanDerWaalsContact O-CG1 3.26Å; V103-I107 WeakPolarHBondContact O-CG1 3.39Å; V103-I107 PolarHBondContact O-N 2.95Å; V103-M127 HydrophobicContact CG2-CE 3.53Å; V103-M127 HydrophobicContact CG2-SD 4.43Å; V103-Y131 HydrophobicContact CG1-CD1 3.37Å; V103-Y131 HydrophobicContact CG1-CD2 3.63Å; V103-Y131 HydrophobicContact CG1-CE1 3.77Å; V103-Y131 HydrophobicContact CG1-CE2 4.04Å; V103-Y131 HydrophobicContact CG1-CG 3.29Å
104M98.2Very high98.4Very high7 Ų742.8 Ų42.83%0.03422%0.22CC..Hα-helixtrans-58.9-44.9175.9-75.4-58.7-46.300111.5C100 D102 I107 D108 K128 Y132C100-M104 VanDerWaalsContact O-CB 3.23Å; C100-M104 WeakPolarHBondContact O-CB 3.31Å; C100-M104 WeakPolarHBondContact O-CG 3.46Å; C100-M104 PolarHBondContact O-N 3.34Å; D102-M104 VanDerWaalsContact C-N 3.32Å; D102-M104 PolarHBondContact O-N 3.38Å; M104-I107 PolarHBondContact O-N 2.91Å; M104-D108 WeakPolarHBondContact O-CB 3.46Å; M104-D108 PolarHBondContact O-N 3.2Å; M104-K128 HydrophobicContact CE-CB 4.5Å; M104-K128 HydrophobicContact CE-CD 3.85Å; M104-K128 HydrophobicContact CE-CG 3.23Å; M104-K128 HydrophobicContact SD-CB 4.26Å; M104-K128 HydrophobicContact SD-CG 3.49Å; M104-K128 WeakPolarHBondContact SD-CG 2.98Å; M104-Y132 HydrophobicContact CE-CD2 3.7Å; M104-Y132 HydrophobicContact CE-CE1 4.26Å; M104-Y132 HydrophobicContact CE-CE2 3Å; M104-Y132 WeakPolarHBondContact CE-OH 3.47Å; M104-Y132 HydrophobicContact SD-CD2 3.82Å; M104-Y132 HydrophobicContact SD-CE2 3.76Å; M104-Y132 HydrophobicContact SD-CG 4.35Å
105R98.5Very high98.2Very high115 Ų11538.8 Ų38.843%0.43420%0.202SC..Hα-helixtrans-61.4-46.7175.5-172.1179.165.3-121.6-13.2111.6N101 D102 V103 I107 D108 E109N101-R105 WeakPolarHBondContact O-CB 3.32Å; N101-R105 PolarHBondContact O-N 3Å; D102-R105 PolarHBondContact O-N 2.88Å; D102-R105 IonicContact OD1-CZ 2.63Å; D102-R105 IonicContact OD1-NH2 3.95Å; D102-R105 PolarHBondContact OD1-NH2 2.98Å; V103-R105 VanDerWaalsContact C-N 3.32Å; V103-R105 PolarHBondContact O-N 3.37Å; R105-I107 VanDerWaalsContact C-N 3.32Å; R105-I107 PolarHBondContact O-N 3.26Å; R105-D108 PolarHBondContact O-N 2.96Å; R105-E109 HydrophobicContact CG-CG 4.06Å; R105-E109 VanDerWaalsContact CG-OE1 3.25Å; R105-E109 WeakPolarHBondContact CG-OE1 3.49Å; R105-E109 VanDerWaalsContact CG-OE2 3.29Å; R105-E109 WeakPolarHBondContact CG-OE2 3.4Å; R105-E109 VanDerWaalsContact O-CB 3.29Å; R105-E109 WeakPolarHBondContact O-CB 3.31Å; R105-E109 WeakPolarHBondContact O-CG 3.43Å; R105-E109 PolarHBondContact O-N 2.98Å
106V98.6Very high98Very high3 Ų339.7 Ų39.72%0.01822%0.22CC..Hα-helixtrans-62.8-40.6179.5175.70000111.5K31 A34 D102 V103 H110 L111K31-V106 HydrophobicContact CD-CG2 4.38Å; K31-V106 HydrophobicContact CG-CG2 3.95Å; A34-V106 HydrophobicContact CB-CG1 3.68Å; D102-V106 WeakPolarHBondContact O-CG2 3.45Å; D102-V106 PolarHBondContact O-N 3.37Å; D102-V106 VanDerWaalsContact O-N 3.13Å; V103-V106 PolarHBondContact O-N 3.25Å; V106-H110 WeakPolarHBondContact O-CB 3.37Å; V106-H110 PolarHBondContact O-N 3.24Å; V106-H110 VanDerWaalsContact O-N 3.15Å; V106-L111 HydrophobicContact CG1-CD1 3.97Å; V106-L111 HydrophobicContact CG1-CG 4.14Å; V106-L111 PolarHBondContact O-N 3.17Å; V106-L111 VanDerWaalsContact O-N 3.15Å
107I98.6Very high97.7Very high0 Ų041.7 Ų41.70%024%0.237CC..Iπ-helixtrans-61.1-49.6176.2-73.8168000110.9V103 M104 R105 L111 I112 M127 K128V103-I107 HydrophobicContact CG2-CD1 4.14Å; V103-I107 WeakPolarHBondContact O-CB 3.23Å; V103-I107 VanDerWaalsContact O-CG1 3.26Å; V103-I107 WeakPolarHBondContact O-CG1 3.39Å; V103-I107 PolarHBondContact O-N 2.95Å; M104-I107 PolarHBondContact O-N 2.91Å; R105-I107 VanDerWaalsContact C-N 3.32Å; R105-I107 PolarHBondContact O-N 3.26Å; I107-L111 HydrophobicContact CG1-CD1 4Å; I107-L111 PolarHBondContact O-N 3.17Å; I107-I112 HydrophobicContact CG2-CD1 3.41Å; I107-I112 VanDerWaalsContact CG2-CD1 3.41Å; I107-I112 HydrophobicContact CG2-CG1 3.78Å; I107-I112 PolarHBondContact O-N 2.98Å; I107-M127 HydrophobicContact CD1-CB 4.11Å; I107-M127 HydrophobicContact CD1-CG 3.98Å; I107-M127 HydrophobicContact CD1-SD 4.2Å; I107-K128 HydrophobicContact CD1-CB 4.33Å; I107-K128 HydrophobicContact CG2-CB 4.25Å; I107-K128 HydrophobicContact CG2-CD 4.32Å; I107-K128 HydrophobicContact CG2-CG 4.35Å
108D98.4Very high97.4Very high64 Ų6442 Ų4234%0.34224%0.241SC..Iπ-helixtrans-77.1-36.8-172.2-74.5-13.8000113.4M104 R105 P113 K128M104-D108 WeakPolarHBondContact O-CB 3.46Å; M104-D108 PolarHBondContact O-N 3.2Å; R105-D108 PolarHBondContact O-N 2.96Å; D108-P113 WeakPolarHBondContact O-CD 3.45Å; D108-P113 WeakPolarHBondContact O-CG 3.32Å; D108-K128 WeakPolarHBondContact OD1-CE 3.28Å; D108-K128 IonicContact OD1-NZ 2.83Å; D108-K128 PolarHBondContact OD1-NZ 3.31Å; D108-K128 WeakPolarHBondContact OD2-CE 3.5Å; D108-K128 IonicContact OD2-NZ 2.82Å; D108-K128 PolarHBondContact OD2-NZ 3.5Å
109E98.3Very high97.3Very high111 Ų11140.1 Ų40.152%0.51923%0.23SC..Iπ-helixtrans-84.2-31.3-176.4-66.9179178.200112.9R105R105-E109 HydrophobicContact CG-CG 4.06Å; R105-E109 VanDerWaalsContact CG-OE1 3.25Å; R105-E109 WeakPolarHBondContact CG-OE1 3.49Å; R105-E109 VanDerWaalsContact CG-OE2 3.29Å; R105-E109 WeakPolarHBondContact CG-OE2 3.4Å; R105-E109 VanDerWaalsContact O-CB 3.29Å; R105-E109 WeakPolarHBondContact O-CB 3.31Å; R105-E109 WeakPolarHBondContact O-CG 3.43Å; R105-E109 PolarHBondContact O-N 2.98Å
110H98.3Very high97.3Very high33 Ų3339.2 Ų39.215%0.15323%0.225CC..Iπ-helixtrans-126.9-48.3-168.5-58.1-60.5000113.9A34 N35 D37 V106 S114A34-H110 HydrophobicContact CB-CB 4.29Å; A34-H110 WeakPolarHBondContact O-CB 3.36Å; N35-H110 PolarHBondContact OD1-CD2 3.48Å; N35-H110 PolarHBondContact OD1-NE2 2.88Å; N35-H110 VanDerWaalsContact OD1-NE2 3.16Å; D37-H110 IonicContact OD1-CE1 2.94Å; D37-H110 IonicContact OD1-CG 3.96Å; D37-H110 IonicContact OD1-ND1 3.49Å; D37-H110 PolarHBondContact OD1-ND1 2.91Å; V106-H110 WeakPolarHBondContact O-CB 3.37Å; V106-H110 PolarHBondContact O-N 3.24Å; V106-H110 VanDerWaalsContact O-N 3.15Å; H110-S114 VanDerWaalsContact O-CB 3.26Å; H110-S114 WeakPolarHBondContact O-CB 3.38Å; H110-S114 PolarHBondContact O-N 3.23Å; H110-S114 PolarHBondContact O-OG 3.49Å; H110-S114 VanDerWaalsContact O-OG 3.09Å
111L98.4Very high97.2Very high4 Ų440.8 Ų40.82%0.02124%0.235CC..Iπ-helixtrans-79.6-47.1-168.1-58.3174.1000113.8A34 L40 L48 V106 I107 S114 A115 Y124A34-L111 HydrophobicContact CB-CD2 3.71Å; A34-L111 HydrophobicContact CB-CG 4.36Å; L40-L111 HydrophobicContact CD1-CD2 3.61Å; L40-L111 HydrophobicContact CG-CD2 3.99Å; L48-L111 HydrophobicContact CD2-CD1 3.4Å; L48-L111 HydrophobicContact CD2-CD2 4.33Å; V106-L111 HydrophobicContact CG1-CD1 3.97Å; V106-L111 HydrophobicContact CG1-CG 4.14Å; V106-L111 PolarHBondContact O-N 3.17Å; V106-L111 VanDerWaalsContact O-N 3.15Å; I107-L111 HydrophobicContact CG1-CD1 4Å; I107-L111 PolarHBondContact O-N 3.17Å; L111-S114 PolarHBondContact O-N 3.47Å; L111-A115 WeakPolarHBondContact O-CB 3.42Å; L111-A115 PolarHBondContact O-N 3.38Å; L111-Y124 HydrophobicContact CB-CD1 3.98Å; L111-Y124 HydrophobicContact CB-CD2 3.84Å; L111-Y124 HydrophobicContact CB-CE1 3.98Å; L111-Y124 HydrophobicContact CB-CE2 3.82Å; L111-Y124 HydrophobicContact CB-CG 3.94Å; L111-Y124 HydrophobicContact CD1-CD1 3.91Å; L111-Y124 HydrophobicContact CD1-CE1 3.81Å; L111-Y124 HydrophobicContact CD2-CE1 4.31Å; L111-Y124 HydrophobicContact CG-CE1 4.26Å; L111-Y124 WeakPolarHBondContact O-CE2 3.39Å
112I98.1Very high97.2Very high32 Ų3236.6 Ų36.616%0.16421%0.213CC..THydrogen-bonded Turntrans-64.9-46.5176.9-71.4172.5000110.8I107 S114 A115 Y125 K128I107-I112 HydrophobicContact CG2-CD1 3.41Å; I107-I112 VanDerWaalsContact CG2-CD1 3.41Å; I107-I112 HydrophobicContact CG2-CG1 3.78Å; I107-I112 PolarHBondContact O-N 2.98Å; I112-S114 PolarHBondContact O-N 3.01Å; I112-A115 PolarHBondContact O-N 3.49Å; I112-Y125 HydrophobicContact CD1-CD1 4.04Å; I112-Y125 HydrophobicContact CD1-CD2 4.44Å; I112-Y125 HydrophobicContact CD1-CE1 3.74Å; I112-Y125 HydrophobicContact CD1-CE2 4.17Å; I112-Y125 HydrophobicContact CD1-CG 4.36Å; I112-Y125 HydrophobicContact CG1-CE2 4.49Å; I112-Y125 HydrophobicContact CG2-CE2 4.29Å; I112-K128 HydrophobicContact CD1-CD 4.38Å
113P97.8Very high97.2Very high90 Ų9036.4 Ų36.458%0.58421%0.21SC*.THydrogen-bonded Turntrans-59.5-31177-27.637.5000114.2D108D108-P113 WeakPolarHBondContact O-CD 3.45Å; D108-P113 WeakPolarHBondContact O-CG 3.32Å
114S97.1Very high97.3Very high23 Ų2336.5 Ų36.516%0.16121%0.211CC..THydrogen-bonded Turntrans-95.41.5179.7-59.70000114.3D37 E39 H110 L111 I112 A116D37-S114 WeakPolarHBondContact CA-OG 3.35Å; D37-S114 PolarHBondContact O-OG 3.35Å; E39-S114 WeakPolarHBondContact CB-O 3.33Å; H110-S114 VanDerWaalsContact O-CB 3.26Å; H110-S114 WeakPolarHBondContact O-CB 3.38Å; H110-S114 PolarHBondContact O-N 3.23Å; H110-S114 PolarHBondContact O-OG 3.49Å; H110-S114 VanDerWaalsContact O-OG 3.09Å; L111-S114 PolarHBondContact O-N 3.47Å; I112-S114 PolarHBondContact O-N 3.01Å; S114-A116 PolarHBondContact O-N 2.94Å
115A95.8Very high97.3Very high20 Ų2038.9 Ų38.917%0.16522%0.22CC..  trans-77.8115177.200000110.4L111 I112 Y124L111-A115 WeakPolarHBondContact O-CB 3.42Å; L111-A115 PolarHBondContact O-N 3.38Å; I112-A115 PolarHBondContact O-N 3.49Å; A115-Y124 HydrophobicContact CB-CD2 4.06Å; A115-Y124 HydrophobicContact CB-CE2 4.07Å
116A92.6Very high97.3Very high85 Ų8535.2 Ų35.270%0.70221%0.207SC*.  trans-102.3-33.8175.200000111.8E39 S114E39-A116 PolarHBondContact OE1-N 3.21Å; E39-A116 WeakPolarHBondContact OE2-CB 3.45Å; S114-A116 PolarHBondContact O-N 2.94Å
117A92.6Very high97.3Very high42 Ų4235.4 Ų35.435%0.34721%0.208SC..SBendtrans-80.1140175.800000112.2E39 E119 S120 T121E39-A117 WeakPolarHBondContact OE1-CB 3.49Å; E39-A117 PolarHBondContact OE1-N 3.37Å; A117-E119 PolarHBondContact O-N 3.02Å; A117-S120 WeakPolarHBondContact O-CB 3.26Å; A117-S120 PolarHBondContact O-N 3.34Å; A117-S120 VanDerWaalsContact O-N 3.09Å; A117-T121 PolarHBondContact O-N 3.18Å; A117-T121 VanDerWaalsContact O-N 3.15Å; A117-T121 PolarHBondContact O-OG1 3.22Å
118G93.8Very high97.3Very high15 Ų1536.8 Ų36.816%0.15521%0.214CC..Hα-helixtrans-54.2-40.417300000112.6S120 T121 V122 D165G118-S120 PolarHBondContact O-N 2.86Å; G118-T121 WeakPolarHBondContact O-CB 3.36Å; G118-T121 PolarHBondContact O-N 3.38Å; G118-V122 VanDerWaalsContact O-CG2 3.32Å; G118-V122 WeakPolarHBondContact O-CG2 3.42Å; G118-V122 PolarHBondContact O-N 3.03Å; G118-D165 WeakPolarHBondContact CA-OD2 3.23Å
119E96.3Very high97.3Very high55 Ų5533.8 Ų33.826%0.25720%0.198SC..Hα-helixtrans-56.9-45.9175.8-167.2-172.1126.200112.9R45 A117 V122 F123 L166 H170 I172R45-E119 IonicContact CZ-OE1 3.21Å; R45-E119 IonicContact NH1-OE1 2.7Å; R45-E119 PolarHBondContact NH1-OE1 2.8Å; R45-E119 IonicContact NH2-OE1 2.66Å; R45-E119 PolarHBondContact NH2-OE1 2.75Å; A117-E119 PolarHBondContact O-N 3.02Å; E119-V122 PolarHBondContact O-N 2.81Å; E119-F123 WeakPolarHBondContact O-CB 3.32Å; E119-F123 PolarHBondContact O-N 3.39Å; E119-L166 HydrophobicContact CB-CD2 4.17Å; E119-L166 HydrophobicContact CG-CD2 4.42Å; E119-H170 IonicContact OE2-CE1 3.92Å; E119-H170 IonicContact OE2-NE2 3.7Å; E119-I172 HydrophobicContact CG-CD1 3.43Å; E119-I172 VanDerWaalsContact CG-CD1 3.43Å
120S97.7Very high97.3Very high6 Ų629 Ų294%0.04218%0.175CC..Hα-helixtrans-62-45.1177.7-62.80000110.9E39 A117 G118 F123 Y124E39-S120 PolarHBondContact OE1-OG 3.36Å; A117-S120 WeakPolarHBondContact O-CB 3.26Å; A117-S120 PolarHBondContact O-N 3.34Å; A117-S120 VanDerWaalsContact O-N 3.09Å; G118-S120 PolarHBondContact O-N 2.86Å; S120-F123 WeakPolarHBondContact O-CB 3.41Å; S120-F123 PolarHBondContact O-N 2.84Å; S120-Y124 WeakPolarHBondContact O-CD2 3.29Å; S120-Y124 VanDerWaalsContact O-CG 3.32Å; S120-Y124 PolarHBondContact O-N 2.61Å
121T97.9Very high97.4Very high33 Ų3327.8 Ų27.820%0.20217%0.17CC..Hα-helixtrans-58.5-51.4177.8-61.60000111.5A117 G118 F123 Y124 Y125 A161A117-T121 PolarHBondContact O-N 3.18Å; A117-T121 VanDerWaalsContact O-N 3.15Å; A117-T121 PolarHBondContact O-OG1 3.22Å; G118-T121 WeakPolarHBondContact O-CB 3.36Å; G118-T121 PolarHBondContact O-N 3.38Å; T121-F123 VanDerWaalsContact C-N 3.3Å; T121-F123 PolarHBondContact O-N 3.19Å; T121-Y124 PolarHBondContact O-N 3.01Å; T121-Y125 HydrophobicContact CG2-CD2 3.69Å; T121-Y125 HydrophobicContact CG2-CE2 3.77Å; T121-Y125 WeakPolarHBondContact O-CD2 3.27Å; T121-Y125 PolarHBondContact O-N 2.9Å; T121-A161 HydrophobicContact CG2-CB 4.03Å
122V98.6Very high97.4Very high0 Ų029.5 Ų29.50%018%0.176CC..Hα-helixtrans-59.3-44.1177.8179.80000110.5G118 E119 Y124 K126 A158 A161 A162 L166 I172 L176G118-V122 VanDerWaalsContact O-CG2 3.32Å; G118-V122 WeakPolarHBondContact O-CG2 3.42Å; G118-V122 PolarHBondContact O-N 3.03Å; E119-V122 PolarHBondContact O-N 2.81Å; V122-Y124 PolarHBondContact O-N 2.94Å; V122-K126 WeakPolarHBondContact O-CB 3.31Å; V122-K126 PolarHBondContact O-N 3.35Å; V122-A158 HydrophobicContact CG1-CB 4.5Å; V122-A161 HydrophobicContact CG2-CB 3.65Å; V122-A162 HydrophobicContact CG1-CB 3.85Å; V122-A162 HydrophobicContact CG2-CB 3.83Å; V122-A162 VanDerWaalsContact CG2-N 3.32Å; V122-L166 HydrophobicContact CB-CD1 4Å; V122-L166 HydrophobicContact CG1-CD1 4.02Å; V122-L166 HydrophobicContact CG2-CD1 3.82Å; V122-L166 HydrophobicContact CG2-CG 4.4Å; V122-I172 HydrophobicContact CB-CG2 4.2Å; V122-I172 HydrophobicContact CG1-CG2 3.65Å; V122-L176 HydrophobicContact CG1-CD2 4.19Å
123F98.4Very high97.4Very high26 Ų2628.6 Ų28.611%0.11417%0.171CC..Hα-helixtrans-59.9-48.5-179.6-170.6-83.2000112.3R45 E119 S120 T121 M127 I172R45-F123 VanDerWaalsContact CD-CD1 3.49Å; R45-F123 VanDerWaalsContact CD-CG 3.47Å; R45-F123 HydrophobicContact CG-CD1 3.54Å; R45-F123 HydrophobicContact CG-CD2 4.41Å; R45-F123 HydrophobicContact CG-CE1 3.42Å; R45-F123 VanDerWaalsContact CG-CE1 3.42Å; R45-F123 HydrophobicContact CG-CE2 4.29Å; R45-F123 HydrophobicContact CG-CG 4.05Å; R45-F123 HydrophobicContact CG-CZ 3.81Å; E119-F123 WeakPolarHBondContact O-CB 3.32Å; E119-F123 PolarHBondContact O-N 3.39Å; S120-F123 WeakPolarHBondContact O-CB 3.41Å; S120-F123 PolarHBondContact O-N 2.84Å; T121-F123 VanDerWaalsContact C-N 3.3Å; T121-F123 PolarHBondContact O-N 3.19Å; F123-M127 HydrophobicContact CE1-SD 4.36Å; F123-M127 WeakPolarHBondContact O-CB 3.5Å; F123-M127 PolarHBondContact O-N 3.23Å; F123-I172 HydrophobicContact CB-CD1 4.49Å; F123-I172 HydrophobicContact CD2-CD1 3.86Å; F123-I172 HydrophobicContact CD2-CG1 4.31Å
124Y98.7Very high97.5Very high2 Ų225.7 Ų25.71%0.00815%0.148CC..Hα-helixtrans-71-41.2-177.2-60.2-43.2000112.6R45 L111 A115 S120 T121 V122 M127 K128R45-Y124 HydrophobicContact CG-CE1 3.93Å; L111-Y124 HydrophobicContact CB-CD1 3.98Å; L111-Y124 HydrophobicContact CB-CD2 3.84Å; L111-Y124 HydrophobicContact CB-CE1 3.98Å; L111-Y124 HydrophobicContact CB-CE2 3.82Å; L111-Y124 HydrophobicContact CB-CG 3.94Å; L111-Y124 HydrophobicContact CD1-CD1 3.91Å; L111-Y124 HydrophobicContact CD1-CE1 3.81Å; L111-Y124 HydrophobicContact CD2-CE1 4.31Å; L111-Y124 HydrophobicContact CG-CE1 4.26Å; L111-Y124 WeakPolarHBondContact O-CE2 3.39Å; A115-Y124 HydrophobicContact CB-CD2 4.06Å; A115-Y124 HydrophobicContact CB-CE2 4.07Å; S120-Y124 WeakPolarHBondContact O-CD2 3.29Å; S120-Y124 VanDerWaalsContact O-CG 3.32Å; S120-Y124 PolarHBondContact O-N 2.61Å; T121-Y124 PolarHBondContact O-N 3.01Å; V122-Y124 PolarHBondContact O-N 2.94Å; Y124-M127 PolarHBondContact O-N 3.26Å; Y124-K128 WeakPolarHBondContact O-CB 3.46Å; Y124-K128 PolarHBondContact O-N 2.86Å
125Y98.8Very high97.5Very high58 Ų5825.1 Ų25.123%0.22714%0.143CC..Hα-helixtrans-66.5-38.5174.9-82.8-67.8000112.4I112 T121 M127 K128 G129I112-Y125 HydrophobicContact CD1-CD1 4.04Å; I112-Y125 HydrophobicContact CD1-CD2 4.44Å; I112-Y125 HydrophobicContact CD1-CE1 3.74Å; I112-Y125 HydrophobicContact CD1-CE2 4.17Å; I112-Y125 HydrophobicContact CD1-CG 4.36Å; I112-Y125 HydrophobicContact CG1-CE2 4.49Å; I112-Y125 HydrophobicContact CG2-CE2 4.29Å; T121-Y125 HydrophobicContact CG2-CD2 3.69Å; T121-Y125 HydrophobicContact CG2-CE2 3.77Å; T121-Y125 WeakPolarHBondContact O-CD2 3.27Å; T121-Y125 PolarHBondContact O-N 2.9Å; Y125-M127 VanDerWaalsContact C-N 3.35Å; Y125-M127 PolarHBondContact O-N 3.42Å; Y125-K128 HydrophobicContact CD1-CD 4.3Å; Y125-K128 WeakPolarHBondContact O-CB 3.45Å; Y125-K128 PolarHBondContact O-N 3.11Å; Y125-G129 PolarHBondContact O-N 3.2Å
126K98.7Very high97.6Very high37 Ų3724.1 Ų24.116%0.16114%0.135CC..Hα-helixtrans-58.9-48.5171.9178.3-168.7170.7-65.90110.7V122 K128 G129 D130 A158 G175 L176 N179V122-K126 WeakPolarHBondContact O-CB 3.31Å; V122-K126 PolarHBondContact O-N 3.35Å; K126-K128 VanDerWaalsContact C-N 3.33Å; K126-K128 PolarHBondContact O-N 3.3Å; K126-G129 PolarHBondContact O-N 3.33Å; K126-D130 IonicContact NZ-OD2 2.9Å; K126-D130 PolarHBondContact NZ-OD2 3.08Å; K126-D130 PolarHBondContact O-N 3.02Å; K126-A158 HydrophobicContact CB-CB 4.39Å; K126-G175 WeakPolarHBondContact CE-O 3.24Å; K126-L176 HydrophobicContact CB-CD1 4.05Å; K126-L176 HydrophobicContact CD-CB 4.08Å; K126-L176 HydrophobicContact CG-CB 4.29Å; K126-L176 HydrophobicContact CG-CD1 3.97Å; K126-N179 PolarHBondContact NZ-ND2 3.21Å
127M98.6Very high97.9Very high7 Ų721.8 Ų21.83%0.03411%0.11CC..Hα-helixtrans-59.9-44.9177.7-168.6176.3-176.800110.6Y52 V103 I107 F123 Y124 Y125 G129 D130 Y131Y52-M127 HydrophobicContact CD2-CE 4.13Å; Y52-M127 HydrophobicContact CG-CE 4.3Å; V103-M127 HydrophobicContact CG2-CE 3.53Å; V103-M127 HydrophobicContact CG2-SD 4.43Å; I107-M127 HydrophobicContact CD1-CB 4.11Å; I107-M127 HydrophobicContact CD1-CG 3.98Å; I107-M127 HydrophobicContact CD1-SD 4.2Å; F123-M127 HydrophobicContact CE1-SD 4.36Å; F123-M127 WeakPolarHBondContact O-CB 3.5Å; F123-M127 PolarHBondContact O-N 3.23Å; Y124-M127 PolarHBondContact O-N 3.26Å; Y125-M127 VanDerWaalsContact C-N 3.35Å; Y125-M127 PolarHBondContact O-N 3.42Å; M127-G129 VanDerWaalsContact C-N 3.33Å; M127-G129 PolarHBondContact O-N 2.85Å; M127-D130 WeakPolarHBondContact O-CB 3.04Å; M127-D130 PolarHBondContact O-N 3.38Å; M127-D130 VanDerWaalsContact O-N 3.1Å; M127-Y131 HydrophobicContact CE-CE2 3.71Å; M127-Y131 HydrophobicContact CG-CD2 3.99Å; M127-Y131 HydrophobicContact CG-CE2 3.82Å; M127-Y131 VanDerWaalsContact O-CD2 3.31Å; M127-Y131 WeakPolarHBondContact O-CD2 3.41Å; M127-Y131 PolarHBondContact O-N 3.29Å; M127-Y131 VanDerWaalsContact O-N 3.07Å
128K98.7Very high98.1Very high30 Ų3020.8 Ų20.813%0.1310%0.098CC..Hα-helixtrans-53.5-48174.2-163-178.3-179.11660111.9M104 I107 D108 I112 Y124 Y125 K126 D130 Y131 Y132 A154M104-K128 HydrophobicContact CE-CB 4.5Å; M104-K128 HydrophobicContact CE-CD 3.85Å; M104-K128 HydrophobicContact CE-CG 3.23Å; M104-K128 HydrophobicContact SD-CB 4.26Å; M104-K128 HydrophobicContact SD-CG 3.49Å; M104-K128 WeakPolarHBondContact SD-CG 2.98Å; I107-K128 HydrophobicContact CD1-CB 4.33Å; I107-K128 HydrophobicContact CG2-CB 4.25Å; I107-K128 HydrophobicContact CG2-CD 4.32Å; I107-K128 HydrophobicContact CG2-CG 4.35Å; D108-K128 WeakPolarHBondContact OD1-CE 3.28Å; D108-K128 IonicContact OD1-NZ 2.83Å; D108-K128 PolarHBondContact OD1-NZ 3.31Å; D108-K128 WeakPolarHBondContact OD2-CE 3.5Å; D108-K128 IonicContact OD2-NZ 2.82Å; D108-K128 PolarHBondContact OD2-NZ 3.5Å; I112-K128 HydrophobicContact CD1-CD 4.38Å; Y124-K128 WeakPolarHBondContact O-CB 3.46Å; Y124-K128 PolarHBondContact O-N 2.86Å; Y125-K128 HydrophobicContact CD1-CD 4.3Å; Y125-K128 WeakPolarHBondContact O-CB 3.45Å; Y125-K128 PolarHBondContact O-N 3.11Å; K126-K128 VanDerWaalsContact C-N 3.33Å; K126-K128 PolarHBondContact O-N 3.3Å; K128-D130 PolarHBondContact O-N 3.35Å; K128-Y131 PolarHBondContact O-N 3.06Å; K128-Y132 HydrophobicContact CG-CD2 4.27Å; K128-Y132 HydrophobicContact CG-CE2 4.21Å; K128-Y132 WeakPolarHBondContact O-CD2 3.28Å; K128-Y132 PolarHBondContact O-N 2.97Å; K128-Y132 VanDerWaalsContact O-N 3.15Å; K128-A154 HydrophobicContact CB-CB 3.98Å; K128-A154 HydrophobicContact CD-CB 4.17Å; K128-A154 HydrophobicContact CG-CB 4.06Å
129G98.8Very high98.3Very high0 Ų022.5 Ų22.50%010%0.101CC..Hα-helixtrans-59.4-45.317500000112.5Y125 K126 M127 Y131 Y132 R133 S151 Y155Y125-G129 PolarHBondContact O-N 3.2Å; K126-G129 PolarHBondContact O-N 3.33Å; M127-G129 VanDerWaalsContact C-N 3.33Å; M127-G129 PolarHBondContact O-N 2.85Å; G129-Y131 PolarHBondContact O-N 2.63Å; G129-Y132 PolarHBondContact O-N 3.25Å; G129-R133 WeakPolarHBondContact O-CB 3.45Å; G129-R133 PolarHBondContact O-N 2.8Å; G129-S151 PolarHBondContact O-OG 2.66Å; G129-Y155 VanDerWaalsContact C-CZ 3.49Å
130D98.8Very high98.3Very high10 Ų1024 Ų245%0.05312%0.118CC..Hα-helixtrans-58.6-44.6178.7-72.1-37.6000112.8K126 M127 K128 R133 Y134 Y155 N179K126-D130 IonicContact NZ-OD2 2.9Å; K126-D130 PolarHBondContact NZ-OD2 3.08Å; K126-D130 PolarHBondContact O-N 3.02Å; M127-D130 WeakPolarHBondContact O-CB 3.04Å; M127-D130 PolarHBondContact O-N 3.38Å; M127-D130 VanDerWaalsContact O-N 3.1Å; K128-D130 PolarHBondContact O-N 3.35Å; D130-R133 WeakPolarHBondContact O-CB 3.5Å; D130-R133 PolarHBondContact O-N 2.95Å; D130-R133 IonicContact OD1-NE 3.4Å; D130-R133 IonicContact OD1-NH2 2.73Å; D130-R133 PolarHBondContact OD1-NH2 3.35Å; D130-Y134 HydrophobicContact CB-CE2 4.39Å; D130-Y134 WeakPolarHBondContact O-CD1 3.48Å; D130-Y134 WeakPolarHBondContact O-CD2 3.45Å; D130-Y134 PolarHBondContact O-N 2.7Å; D130-Y155 WeakPolarHBondContact CA-OH 3.35Å; D130-Y155 PolarHBondContact N-OH 3.5Å; D130-Y155 PolarHBondContact OD1-OH 2.91Å; D130-N179 VanDerWaalsContact OD1-CB 3.26Å; D130-N179 WeakPolarHBondContact OD1-CB 3.29Å; D130-N179 PolarHBondContact OD1-ND2 3.15Å; D130-N179 PolarHBondContact OD2-ND2 3.34Å
131Y98.8Very high98.3Very high8 Ų826.6 Ų26.63%0.03115%0.145CC..Hα-helixtrans-75.1-32.5-178.3-79.4-95.1000113.5Y52 K53 I56 I99 C100 V103 M127 K128 G129 Y134 L135Y52-Y131 WeakPolarHBondContact CB-OH 3.39Å; Y52-Y131 PolarHBondContact O-OH 3.06Å; K53-Y131 PolarHBondContact N-OH 3.36Å; I56-Y131 HydrophobicContact CB-CE1 3.85Å; I56-Y131 HydrophobicContact CD1-CD1 4.43Å; I56-Y131 HydrophobicContact CD1-CE1 4.21Å; I56-Y131 HydrophobicContact CG1-CD1 4.38Å; I56-Y131 HydrophobicContact CG1-CE1 3.9Å; I56-Y131 HydrophobicContact CG2-CE1 3.85Å; I56-Y131 WeakPolarHBondContact CG2-OH 3.44Å; I99-Y131 HydrophobicContact CG2-CE1 4.36Å; C100-Y131 HydrophobicContact CB-CD1 4.32Å; C100-Y131 PolarHBondContact SG-O 3.43Å; C100-Y131 VanDerWaalsContact SG-O 3.39Å; V103-Y131 HydrophobicContact CG1-CD1 3.37Å; V103-Y131 HydrophobicContact CG1-CD2 3.63Å; V103-Y131 HydrophobicContact CG1-CE1 3.77Å; V103-Y131 HydrophobicContact CG1-CE2 4.04Å; V103-Y131 HydrophobicContact CG1-CG 3.29Å; M127-Y131 HydrophobicContact CE-CE2 3.71Å; M127-Y131 HydrophobicContact CG-CD2 3.99Å; M127-Y131 HydrophobicContact CG-CE2 3.82Å; M127-Y131 VanDerWaalsContact O-CD2 3.31Å; M127-Y131 WeakPolarHBondContact O-CD2 3.41Å; M127-Y131 PolarHBondContact O-N 3.29Å; M127-Y131 VanDerWaalsContact O-N 3.07Å; K128-Y131 PolarHBondContact O-N 3.06Å; G129-Y131 PolarHBondContact O-N 2.63Å; Y131-Y134 HydrophobicContact CD1-CD2 4.04Å; Y131-Y134 HydrophobicContact CD1-CE2 4.49Å; Y131-Y134 HydrophobicContact CE1-CD2 4.34Å; Y131-Y134 HydrophobicContact CE1-CE2 4.48Å; Y131-Y134 HydrophobicContact CE2-CE2 4.47Å; Y131-Y134 HydrophobicContact CG-CD2 4.21Å; Y131-Y134 PolarHBondContact O-N 3Å; Y131-L135 PolarHBondContact O-N 3.28Å
132Y98.9Very high98.3Very high41 Ų4131.8 Ų31.816%0.16117%0.171CC..Hα-helixtrans-67.4-39168.8-85.1-54.3000112.5M104 K128 G129 Y134 L135 A136 Q150M104-Y132 HydrophobicContact CE-CD2 3.7Å; M104-Y132 HydrophobicContact CE-CE1 4.26Å; M104-Y132 HydrophobicContact CE-CE2 3Å; M104-Y132 WeakPolarHBondContact CE-OH 3.47Å; M104-Y132 HydrophobicContact SD-CD2 3.82Å; M104-Y132 HydrophobicContact SD-CE2 3.76Å; M104-Y132 HydrophobicContact SD-CG 4.35Å; K128-Y132 HydrophobicContact CG-CD2 4.27Å; K128-Y132 HydrophobicContact CG-CE2 4.21Å; K128-Y132 WeakPolarHBondContact O-CD2 3.28Å; K128-Y132 PolarHBondContact O-N 2.97Å; K128-Y132 VanDerWaalsContact O-N 3.15Å; G129-Y132 PolarHBondContact O-N 3.25Å; Y132-Y134 VanDerWaalsContact C-N 3.3Å; Y132-Y134 PolarHBondContact O-N 3.45Å; Y132-L135 HydrophobicContact CD1-CD1 3.89Å; Y132-L135 HydrophobicContact CE1-CD1 4.27Å; Y132-L135 WeakPolarHBondContact O-CB 3.42Å; Y132-L135 PolarHBondContact O-N 3.03Å; Y132-L135 VanDerWaalsContact O-N 3.16Å; Y132-A136 PolarHBondContact O-N 3.43Å; Y132-Q150 HydrophobicContact CD1-CB 3.8Å; Y132-Q150 HydrophobicContact CD2-CB 3.51Å; Y132-Q150 HydrophobicContact CE1-CB 3.76Å; Y132-Q150 HydrophobicContact CE1-CG 4.11Å; Y132-Q150 HydrophobicContact CE2-CB 3.39Å; Y132-Q150 HydrophobicContact CE2-CG 4.14Å; Y132-Q150 HydrophobicContact CG-CB 3.71Å
133R98.7Very high98.2Very high12 Ų1236.7 Ų36.75%0.04519%0.194CC..Hα-helixtrans-57.3-45170.9173.2169.16792.8-5111.3G129 D130 L135 A136 E137 Y155 F183 E186 I187G129-R133 WeakPolarHBondContact O-CB 3.45Å; G129-R133 PolarHBondContact O-N 2.8Å; D130-R133 WeakPolarHBondContact O-CB 3.5Å; D130-R133 PolarHBondContact O-N 2.95Å; D130-R133 IonicContact OD1-NE 3.4Å; D130-R133 IonicContact OD1-NH2 2.73Å; D130-R133 PolarHBondContact OD1-NH2 3.35Å; R133-L135 VanDerWaalsContact C-N 3.3Å; R133-L135 PolarHBondContact O-N 2.92Å; R133-A136 WeakPolarHBondContact O-CB 3.47Å; R133-A136 PolarHBondContact O-N 3.3Å; R133-E137 IonicContact NH1-OE1 2.8Å; R133-E137 PolarHBondContact O-N 2.86Å; R133-E137 VanDerWaalsContact O-N 3.15Å; R133-Y155 PolarHBondContact NE-OH 2.88Å; R133-F183 HydrophobicContact CB-CD2 4.25Å; R133-F183 HydrophobicContact CG-CD2 4.23Å; R133-E186 IonicContact NH1-OE2 3.6Å; R133-I187 HydrophobicContact CG-CD1 4.23Å; R133-I187 HydrophobicContact CG-CG1 3.78Å
134Y98.6Very high98.2Very high29 Ų2939.3 Ų39.311%0.11421%0.206CC..Hα-helixtrans-61.2-37.3176.4-57.8-22000112.6I56 R60 D130 Y131 Y132 E137 F138I56-Y134 HydrophobicContact CG1-CD2 3.93Å; I56-Y134 HydrophobicContact CG1-CE2 4.46Å; I56-Y134 HydrophobicContact CG2-CD2 4.38Å; I56-Y134 HydrophobicContact CG2-CE2 4.09Å; R60-Y134 VanDerWaalsContact CZ-CD1 3.46Å; R60-Y134 VanDerWaalsContact CZ-CE1 3.45Å; D130-Y134 HydrophobicContact CB-CE2 4.39Å; D130-Y134 WeakPolarHBondContact O-CD1 3.48Å; D130-Y134 WeakPolarHBondContact O-CD2 3.45Å; D130-Y134 PolarHBondContact O-N 2.7Å; Y131-Y134 HydrophobicContact CD1-CD2 4.04Å; Y131-Y134 HydrophobicContact CD1-CE2 4.49Å; Y131-Y134 HydrophobicContact CE1-CD2 4.34Å; Y131-Y134 HydrophobicContact CE1-CE2 4.48Å; Y131-Y134 HydrophobicContact CE2-CE2 4.47Å; Y131-Y134 HydrophobicContact CG-CD2 4.21Å; Y131-Y134 PolarHBondContact O-N 3Å; Y132-Y134 VanDerWaalsContact C-N 3.3Å; Y132-Y134 PolarHBondContact O-N 3.45Å; Y134-E137 VanDerWaalsContact CD1-OE1 3.3Å; Y134-E137 WeakPolarHBondContact CD1-OE1 3.34Å; Y134-E137 WeakPolarHBondContact O-CB 3.43Å; Y134-E137 PolarHBondContact O-N 3.25Å; Y134-F138 WeakPolarHBondContact O-CD1 3.16Å; Y134-F138 VanDerWaalsContact O-CE1 3.25Å; Y134-F138 WeakPolarHBondContact O-CE1 3.46Å
135L98.4Very high98.2Very high11 Ų1145.6 Ų45.66%0.05823%0.233CC..Hα-helixtrans-61.6-44.3171.4-73.9172.7000111.4C100 Y131 Y132 R133 E137 F138 K139 A147C100-L135 HydrophobicContact CB-CD1 3.81Å; C100-L135 HydrophobicContact CB-CD2 3.68Å; C100-L135 HydrophobicContact CB-CG 3.57Å; Y131-L135 PolarHBondContact O-N 3.28Å; Y132-L135 HydrophobicContact CD1-CD1 3.89Å; Y132-L135 HydrophobicContact CE1-CD1 4.27Å; Y132-L135 WeakPolarHBondContact O-CB 3.42Å; Y132-L135 PolarHBondContact O-N 3.03Å; Y132-L135 VanDerWaalsContact O-N 3.16Å; R133-L135 VanDerWaalsContact C-N 3.3Å; R133-L135 PolarHBondContact O-N 2.92Å; L135-E137 PolarHBondContact O-N 2.72Å; L135-F138 HydrophobicContact CD2-CE1 4.2Å; L135-F138 HydrophobicContact CD2-CZ 3.74Å; L135-F138 PolarHBondContact O-N 3.43Å; L135-K139 VanDerWaalsContact O-CB 3.27Å; L135-K139 WeakPolarHBondContact O-CB 3.39Å; L135-K139 WeakPolarHBondContact O-CG 3.49Å; L135-K139 PolarHBondContact O-N 3.39Å; L135-A147 HydrophobicContact CB-CB 3.9Å
136A98.5Very high98.2Very high0 Ų048.9 Ų48.90%025%0.25CS..Hα-helixtrans-65.6-19.5-179.200000114Y132 R133 K144 A147 I187Y132-A136 PolarHBondContact O-N 3.43Å; R133-A136 WeakPolarHBondContact O-CB 3.47Å; R133-A136 PolarHBondContact O-N 3.3Å; A136-K144 HydrophobicContact CB-CG 4.48Å; A136-K144 WeakPolarHBondContact O-CE 3.43Å; A136-A147 HydrophobicContact CB-CB 3.97Å; A136-I187 HydrophobicContact CB-CD1 4.13Å; A136-I187 HydrophobicContact CB-CG1 4.41Å; A136-I187 HydrophobicContact CB-CG2 3.81Å
137E97.9Very high98.2Very high35 Ų3547.4 Ų47.416%0.16425%0.245CC..Hα-helixtrans-62.9-38.7176.7-72.5171.9-154.300112.7R60 W63 R64 R133 Y134 L135 I187R60-E137 IonicContact CZ-OE1 2.66Å; R60-E137 IonicContact CZ-OE2 2.68Å; R60-E137 IonicContact NE-OE1 2.72Å; R60-E137 IonicContact NE-OE2 3.36Å; R60-E137 PolarHBondContact NE-OE2 2.88Å; R60-E137 VanDerWaalsContact NE-OE2 3.07Å; R60-E137 VanDerWaalsContact NH2-CD 3.3Å; R60-E137 IonicContact NH2-OE1 3.75Å; R60-E137 PolarHBondContact NH2-OE1 3.15Å; R60-E137 IonicContact NH2-OE2 2.86Å; R60-E137 PolarHBondContact NH2-OE2 3.31Å; R60-E137 VanDerWaalsContact NH2-OE2 3.08Å; W63-E137 HydrophobicContact CH2-CB 4.11Å; W63-E137 HydrophobicContact CZ3-CB 4.25Å; R64-E137 IonicContact NH2-OE2 3.99Å; R64-E137 PolarHBondContact NH2-OE2 2.99Å; R133-E137 IonicContact NH1-OE1 2.8Å; R133-E137 PolarHBondContact O-N 2.86Å; R133-E137 VanDerWaalsContact O-N 3.15Å; Y134-E137 VanDerWaalsContact CD1-OE1 3.3Å; Y134-E137 WeakPolarHBondContact CD1-OE1 3.34Å; Y134-E137 WeakPolarHBondContact O-CB 3.43Å; Y134-E137 PolarHBondContact O-N 3.25Å; L135-E137 PolarHBondContact O-N 2.72Å; E137-I187 HydrophobicContact CG-CD1 4.06Å
138F97Very high98.2Very high22 Ų2247.5 Ų47.510%0.09625%0.247CC..Hα-helixtrans-119.9-17.8-171.467.5-94.6000114.3W63 E93 L96 S97 Y134 L135W63-F138 HydrophobicContact CD2-CB 4.32Å; W63-F138 VanDerWaalsContact CE2-CB 3.46Å; W63-F138 HydrophobicContact CH2-CB 4.19Å; W63-F138 HydrophobicContact CZ2-CB 3.41Å; W63-F138 VanDerWaalsContact CZ2-CB 3.41Å; E93-F138 HydrophobicContact CB-CD2 3.71Å; E93-F138 HydrophobicContact CB-CE2 3.84Å; E93-F138 HydrophobicContact CG-CB 4.2Å; E93-F138 HydrophobicContact CG-CD2 3.62Å; E93-F138 HydrophobicContact CG-CE2 4.24Å; E93-F138 HydrophobicContact CG-CG 4.07Å; E93-F138 WeakPolarHBondContact O-CE2 3.47Å; L96-F138 HydrophobicContact CB-CE1 3.72Å; L96-F138 HydrophobicContact CB-CZ 3.75Å; L96-F138 HydrophobicContact CD1-CD1 4.07Å; L96-F138 HydrophobicContact CD1-CE1 4.01Å; L96-F138 HydrophobicContact CG-CE1 4.47Å; S97-F138 WeakPolarHBondContact OG-CE2 3.39Å; S97-F138 WeakPolarHBondContact OG-CZ 3.34Å; Y134-F138 WeakPolarHBondContact O-CD1 3.16Å; Y134-F138 VanDerWaalsContact O-CE1 3.25Å; Y134-F138 WeakPolarHBondContact O-CE1 3.46Å; L135-F138 HydrophobicContact CD2-CE1 4.2Å; L135-F138 HydrophobicContact CD2-CZ 3.74Å; L135-F138 PolarHBondContact O-N 3.43Å
139K98Very high98.2Very high51 Ų5149.8 Ų49.822%0.22226%0.261CS..  trans-67.6162.6173.2-70.4-66.8-168165.20111.3L135 E143 K144L135-K139 VanDerWaalsContact O-CB 3.27Å; L135-K139 WeakPolarHBondContact O-CB 3.39Å; L135-K139 WeakPolarHBondContact O-CG 3.49Å; L135-K139 PolarHBondContact O-N 3.39Å; K139-E143 HydrophobicContact CB-CB 4.06Å; K139-E143 HydrophobicContact CD-CB 4.04Å; K139-E143 WeakPolarHBondContact CD-OE2 3.46Å; K139-E143 HydrophobicContact CG-CB 4.31Å; K139-E143 IonicContact NZ-OE1 3.66Å; K139-E143 PolarHBondContact NZ-OE1 3.02Å; K139-E143 IonicContact NZ-OE2 3.54Å; K139-E143 PolarHBondContact NZ-OE2 3.49Å; K139-K144 HydrophobicContact CB-CB 4.28Å
140S96.2Very high98.2Very high87 Ų8752.3 Ų52.361%0.60827%0.273SS*.  trans-135.8163-178.866.50000112.1N142 E143 K144S140-N142 PolarHBondContact O-N 2.9Å; S140-E143 PolarHBondContact O-N 3.3Å; S140-K144 PolarHBondContact O-N 3.15Å
141G96.8Very high98.2Very high59 Ų5951.9 Ų51.961%0.60827%0.27SS*.Hα-helixtrans54.8-131.517800000113.2E143 K144 K145G141-E143 VanDerWaalsContact C-N 3.35Å; G141-E143 PolarHBondContact O-N 3.44Å; G141-K144 PolarHBondContact O-N 3.45Å; G141-K145 PolarHBondContact O-N 3.13Å
142N98.1Very high98.2Very high143 Ų14353 Ų5377%0.76528%0.276SS*.Hα-helixtrans-64.6-35.9-177.8-69.6-12.3000113S140 K144 K145 E146S140-N142 PolarHBondContact O-N 2.9Å; N142-K144 VanDerWaalsContact C-N 3.32Å; N142-K144 PolarHBondContact O-N 2.9Å; N142-K145 PolarHBondContact O-N 2.95Å; N142-E146 WeakPolarHBondContact O-CB 3.36Å; N142-E146 PolarHBondContact O-N 3.17Å
143E97.8Very high98.2Very high103 Ų10356.4 Ų56.448%0.48129%0.292SS..Hα-helixtrans-63.9-39.2178.6-64.4-174.8112.200111.3K139 S140 G141 A147K139-E143 HydrophobicContact CB-CB 4.06Å; K139-E143 HydrophobicContact CD-CB 4.04Å; K139-E143 WeakPolarHBondContact CD-OE2 3.46Å; K139-E143 HydrophobicContact CG-CB 4.31Å; K139-E143 IonicContact NZ-OE1 3.66Å; K139-E143 PolarHBondContact NZ-OE1 3.02Å; K139-E143 IonicContact NZ-OE2 3.54Å; K139-E143 PolarHBondContact NZ-OE2 3.49Å; S140-E143 PolarHBondContact O-N 3.3Å; G141-E143 VanDerWaalsContact C-N 3.35Å; G141-E143 PolarHBondContact O-N 3.44Å; E143-A147 WeakPolarHBondContact O-CB 3.38Å; E143-A147 PolarHBondContact O-N 3.48Å
144K98.4Very high98.2Very high81 Ų8156 Ų5635%0.35229%0.291SS..Hα-helixtrans-63-44.9174.9-178.2170.9179.4172.60111.2A136 K139 S140 G141 N142 A147 A148A136-K144 HydrophobicContact CB-CG 4.48Å; A136-K144 WeakPolarHBondContact O-CE 3.43Å; K139-K144 HydrophobicContact CB-CB 4.28Å; S140-K144 PolarHBondContact O-N 3.15Å; G141-K144 PolarHBondContact O-N 3.45Å; N142-K144 VanDerWaalsContact C-N 3.32Å; N142-K144 PolarHBondContact O-N 2.9Å; K144-A147 PolarHBondContact O-N 3.3Å; K144-A148 WeakPolarHBondContact O-CB 3.46Å; K144-A148 PolarHBondContact O-N 2.96Å
145K98.4Very high98.2Very high134 Ų13454.6 Ų54.658%0.58329%0.286SS*.Hα-helixtrans-62.1-47.3179.6-175.9179.2177-178.50111.1G141 N142 A147 A148 D149G141-K145 PolarHBondContact O-N 3.13Å; N142-K145 PolarHBondContact O-N 2.95Å; K145-A147 PolarHBondContact O-N 3.29Å; K145-A148 PolarHBondContact O-N 2.97Å; K145-D149 WeakPolarHBondContact O-CB 3.39Å; K145-D149 VanDerWaalsContact O-CG 3.26Å; K145-D149 PolarHBondContact O-N 2.99Å
146E98.5Very high98.2Very high126 Ų12659 Ų5959%0.58931%0.306SS*.Hα-helixtrans-61.4-45.4177.9-179171.7-170.200111.8N142 A148 D149 Q150N142-E146 WeakPolarHBondContact O-CB 3.36Å; N142-E146 PolarHBondContact O-N 3.17Å; E146-A148 VanDerWaalsContact C-N 3.33Å; E146-A148 PolarHBondContact O-N 3.43Å; E146-D149 PolarHBondContact O-N 2.99Å; E146-Q150 HydrophobicContact CG-CG 4.48Å; E146-Q150 WeakPolarHBondContact O-CB 3.33Å; E146-Q150 VanDerWaalsContact O-CG 3.28Å; E146-Q150 WeakPolarHBondContact O-CG 3.36Å; E146-Q150 PolarHBondContact O-N 2.82Å
147A98.7Very high98.2Very high6 Ų661.2 Ų61.25%0.0532%0.322CS..Hα-helixtrans-60.3-42.6175.500000111.9L135 A136 E143 K144 K145 Q150 S151L135-A147 HydrophobicContact CB-CB 3.9Å; A136-A147 HydrophobicContact CB-CB 3.97Å; E143-A147 WeakPolarHBondContact O-CB 3.38Å; E143-A147 PolarHBondContact O-N 3.48Å; K144-A147 PolarHBondContact O-N 3.3Å; K145-A147 PolarHBondContact O-N 3.29Å; A147-Q150 PolarHBondContact O-N 2.92Å; A147-S151 VanDerWaalsContact O-CB 3.31Å; A147-S151 WeakPolarHBondContact O-CB 3.34Å; A147-S151 PolarHBondContact O-N 3.24Å
148A98.7Very high98.3Very high10 Ų1059.6 Ų59.68%0.08331%0.314CS..Hα-helixtrans-64.6-43.8176.200000112.3K144 K145 E146 Q150 S151 M152 F183 I187 L188K144-A148 WeakPolarHBondContact O-CB 3.46Å; K144-A148 PolarHBondContact O-N 2.96Å; K145-A148 PolarHBondContact O-N 2.97Å; E146-A148 VanDerWaalsContact C-N 3.33Å; E146-A148 PolarHBondContact O-N 3.43Å; A148-Q150 VanDerWaalsContact C-N 3.33Å; A148-Q150 PolarHBondContact O-N 3.01Å; A148-S151 WeakPolarHBondContact O-CB 3.22Å; A148-S151 PolarHBondContact O-N 3.41Å; A148-M152 WeakPolarHBondContact O-CB 3.15Å; A148-M152 PolarHBondContact O-N 3.5Å; A148-F183 HydrophobicContact CB-CE2 4.36Å; A148-F183 HydrophobicContact CB-CZ 4.44Å; A148-F183 WeakPolarHBondContact O-CZ 3.45Å; A148-I187 HydrophobicContact CB-CG2 3.88Å; A148-L188 HydrophobicContact CB-CD2 4.5Å
149D98.7Very high98.4Very high78 Ų7860.1 Ų60.142%0.41732%0.319SS..Hα-helixtrans-63.1-40178.1-71-17.3000111.4K145 E146 K153K145-D149 WeakPolarHBondContact O-CB 3.39Å; K145-D149 VanDerWaalsContact O-CG 3.26Å; K145-D149 PolarHBondContact O-N 2.99Å; E146-D149 PolarHBondContact O-N 2.99Å; D149-K153 VanDerWaalsContact O-CG 3.31Å; D149-K153 WeakPolarHBondContact O-CG 3.27Å; D149-K153 PolarHBondContact O-N 3.29Å; D149-K153 VanDerWaalsContact O-N 3.1Å
150Q98.7Very high98.4Very high53 Ų5360.4 Ų60.425%0.24833%0.331CS..Hα-helixtrans-71.5-38.2176.3-67.5-65.5-19.200112.5Y132 E146 A147 A148 M152 K153 A154Y132-Q150 HydrophobicContact CD1-CB 3.8Å; Y132-Q150 HydrophobicContact CD2-CB 3.51Å; Y132-Q150 HydrophobicContact CE1-CB 3.76Å; Y132-Q150 HydrophobicContact CE1-CG 4.11Å; Y132-Q150 HydrophobicContact CE2-CB 3.39Å; Y132-Q150 HydrophobicContact CE2-CG 4.14Å; Y132-Q150 HydrophobicContact CG-CB 3.71Å; E146-Q150 HydrophobicContact CG-CG 4.48Å; E146-Q150 WeakPolarHBondContact O-CB 3.33Å; E146-Q150 VanDerWaalsContact O-CG 3.28Å; E146-Q150 WeakPolarHBondContact O-CG 3.36Å; E146-Q150 PolarHBondContact O-N 2.82Å; A147-Q150 PolarHBondContact O-N 2.92Å; A148-Q150 VanDerWaalsContact C-N 3.33Å; A148-Q150 PolarHBondContact O-N 3.01Å; Q150-M152 VanDerWaalsContact C-N 3.32Å; Q150-M152 PolarHBondContact O-N 3.4Å; Q150-K153 PolarHBondContact O-N 3.31Å; Q150-A154 WeakPolarHBondContact O-CB 3.34Å; Q150-A154 PolarHBondContact O-N 3.33Å
151S98.8Very high98.4Very high0 Ų057 Ų570%031%0.308CS..Hα-helixtrans-58.7-46172.5-173.30000110.9G129 A147 A148 A154 Y155 F183G129-S151 PolarHBondContact O-OG 2.66Å; A147-S151 VanDerWaalsContact O-CB 3.31Å; A147-S151 WeakPolarHBondContact O-CB 3.34Å; A147-S151 PolarHBondContact O-N 3.24Å; A148-S151 WeakPolarHBondContact O-CB 3.22Å; A148-S151 PolarHBondContact O-N 3.41Å; S151-A154 PolarHBondContact O-N 3.43Å; S151-Y155 WeakPolarHBondContact O-CD2 3.39Å; S151-Y155 PolarHBondContact O-N 2.73Å; S151-Y155 WeakPolarHBondContact OG-CE2 3.39Å; S151-F183 WeakPolarHBondContact OG-CD2 3.13Å; S151-F183 WeakPolarHBondContact OG-CE2 3.28Å
152M98.8Very high98.5Very high32 Ų3254.3 Ų54.316%0.15828%0.28CS..Hα-helixtrans-58.1-54.6177.4-178.665.391.400111A148 Q150 A154 Y155 E156 F180 F183 Y184 L188A148-M152 WeakPolarHBondContact O-CB 3.15Å; A148-M152 PolarHBondContact O-N 3.5Å; Q150-M152 VanDerWaalsContact C-N 3.32Å; Q150-M152 PolarHBondContact O-N 3.4Å; M152-A154 VanDerWaalsContact C-N 3.26Å; M152-A154 PolarHBondContact O-N 3.2Å; M152-Y155 PolarHBondContact O-N 2.92Å; M152-Y155 VanDerWaalsContact O-N 3.14Å; M152-E156 HydrophobicContact CG-CG 4.29Å; M152-E156 WeakPolarHBondContact O-CG 3.26Å; M152-E156 PolarHBondContact O-N 3.3Å; M152-E156 HydrophobicContact SD-CG 4.19Å; M152-F180 HydrophobicContact SD-CE2 3.59Å; M152-F180 VanDerWaalsContact SD-CE2 3.59Å; M152-F180 HydrophobicContact SD-CZ 3.53Å; M152-F180 VanDerWaalsContact SD-CZ 3.53Å; M152-F183 HydrophobicContact CB-CE1 4.12Å; M152-F183 HydrophobicContact CB-CZ 4.18Å; M152-F183 HydrophobicContact CE-CE1 3.82Å; M152-F183 HydrophobicContact SD-CE1 3.99Å; M152-Y184 HydrophobicContact CE-CE1 3.69Å; M152-L188 HydrophobicContact CE-CD1 3.39Å
153K98.8Very high98.5Very high112 Ų11253.1 Ų53.149%0.48727%0.27SS..Hα-helixtrans-56-41.6-179.9-72.4169.9-175.9174.20112.6D149 Q150 S157D149-K153 VanDerWaalsContact O-CG 3.31Å; D149-K153 WeakPolarHBondContact O-CG 3.27Å; D149-K153 PolarHBondContact O-N 3.29Å; D149-K153 VanDerWaalsContact O-N 3.1Å; Q150-K153 PolarHBondContact O-N 3.31Å; K153-S157 WeakPolarHBondContact O-CB 3.5Å; K153-S157 PolarHBondContact O-N 2.94Å; K153-S157 PolarHBondContact O-OG 2.84Å
154A98.8Very high98.4Very high4 Ų451.9 Ų51.93%0.03328%0.277CS..Hα-helixtrans-66.5-44.5179.200000111.7K128 Q150 S151 M152 S157 A158K128-A154 HydrophobicContact CB-CB 3.98Å; K128-A154 HydrophobicContact CD-CB 4.17Å; K128-A154 HydrophobicContact CG-CB 4.06Å; Q150-A154 WeakPolarHBondContact O-CB 3.34Å; Q150-A154 PolarHBondContact O-N 3.33Å; S151-A154 PolarHBondContact O-N 3.43Å; M152-A154 VanDerWaalsContact C-N 3.26Å; M152-A154 PolarHBondContact O-N 3.2Å; A154-S157 PolarHBondContact O-N 3.06Å; A154-A158 WeakPolarHBondContact O-CB 3.32Å; A154-A158 PolarHBondContact O-N 2.8Å
155Y98.9Very high98.3Very high0 Ų052.8 Ų52.80%029%0.286CS..Hα-helixtrans-65.9-41.4175.7-72.8-50.6000112.6G129 D130 R133 S151 M152 S157 A158 T159 L176 N179 F180 F183G129-Y155 VanDerWaalsContact C-CZ 3.49Å; D130-Y155 WeakPolarHBondContact CA-OH 3.35Å; D130-Y155 PolarHBondContact N-OH 3.5Å; D130-Y155 PolarHBondContact OD1-OH 2.91Å; R133-Y155 PolarHBondContact NE-OH 2.88Å; S151-Y155 WeakPolarHBondContact O-CD2 3.39Å; S151-Y155 PolarHBondContact O-N 2.73Å; S151-Y155 WeakPolarHBondContact OG-CE2 3.39Å; M152-Y155 PolarHBondContact O-N 2.92Å; M152-Y155 VanDerWaalsContact O-N 3.14Å; Y155-S157 VanDerWaalsContact C-N 3.32Å; Y155-S157 PolarHBondContact O-N 3.44Å; Y155-A158 WeakPolarHBondContact O-CB 3.33Å; Y155-A158 PolarHBondContact O-N 3.3Å; Y155-T159 WeakPolarHBondContact O-CB 3.25Å; Y155-T159 PolarHBondContact O-N 3.03Å; Y155-T159 PolarHBondContact O-OG1 3.22Å; Y155-T159 VanDerWaalsContact O-OG1 3.04Å; Y155-L176 HydrophobicContact CD1-CD1 3.64Å; Y155-L176 HydrophobicContact CE1-CD1 4.32Å; Y155-N179 HydrophobicContact CE1-CB 4.27Å; Y155-F180 HydrophobicContact CD1-CB 4.08Å; Y155-F180 HydrophobicContact CD1-CD2 4.49Å; Y155-F180 HydrophobicContact CD1-CG 4.31Å; Y155-F180 HydrophobicContact CD2-CB 4.36Å; Y155-F180 AromaticContact CD2-CD2 3.44Å; Y155-F180 HydrophobicContact CD2-CD2 3.44Å; Y155-F180 VanDerWaalsContact CD2-CD2 3.44Å; Y155-F180 AromaticContact CD2-CE2 3.88Å; Y155-F180 HydrophobicContact CD2-CE2 3.88Å; Y155-F180 HydrophobicContact CD2-CG 4.06Å; Y155-F180 HydrophobicContact CE1-CB 4.48Å; Y155-F180 HydrophobicContact CE2-CD2 4.24Å; Y155-F180 HydrophobicContact CG-CB 4.02Å; Y155-F180 HydrophobicContact CG-CD1 4.36Å; Y155-F180 AromaticContact CG-CD2 3.6Å; Y155-F180 HydrophobicContact CG-CD2 3.6Å; Y155-F180 HydrophobicContact CG-CE2 4.06Å; Y155-F180 AromaticContact CG-CG 3.77Å; Y155-F180 HydrophobicContact CG-CG 3.77Å; Y155-F183 HydrophobicContact CD2-CB 4.19Å; Y155-F183 HydrophobicContact CD2-CD1 4.22Å; Y155-F183 HydrophobicContact CD2-CG 4.13Å; Y155-F183 HydrophobicContact CE2-CB 3.66Å; Y155-F183 HydrophobicContact CE2-CD1 4.42Å; Y155-F183 HydrophobicContact CE2-CD2 4.28Å; Y155-F183 AromaticContact CE2-CG 3.88Å; Y155-F183 HydrophobicContact CE2-CG 3.88Å
156E98.7Very high98.2Very high102 Ų10247.1 Ų47.148%0.47726%0.262SS..Hα-helixtrans-60.2-42174.4-71.3174.6158.200111.8M152 T159 A160 F180M152-E156 HydrophobicContact CG-CG 4.29Å; M152-E156 WeakPolarHBondContact O-CG 3.26Å; M152-E156 PolarHBondContact O-N 3.3Å; M152-E156 HydrophobicContact SD-CG 4.19Å; E156-T159 PolarHBondContact O-N 3.21Å; E156-A160 PolarHBondContact O-N 3.29Å; E156-F180 HydrophobicContact CG-CZ 4.27Å
157S98.4Very high98.1Very high48 Ų4844.1 Ų44.134%0.33625%0.253SS..Hα-helixtrans-63.7-41.4175.5-55.40000111.8K153 A154 Y155 A161K153-S157 WeakPolarHBondContact O-CB 3.5Å; K153-S157 PolarHBondContact O-N 2.94Å; K153-S157 PolarHBondContact O-OG 2.84Å; A154-S157 PolarHBondContact O-N 3.06Å; Y155-S157 VanDerWaalsContact C-N 3.32Å; Y155-S157 PolarHBondContact O-N 3.44Å; S157-A161 PolarHBondContact O-N 2.73Å
158A98.7Very high98.1Very high0 Ų044.7 Ų44.70%026%0.256CS..Hα-helixtrans-64.4-41.1175.100000111.7V122 K126 A154 Y155 A161 A162 L176V122-A158 HydrophobicContact CG1-CB 4.5Å; K126-A158 HydrophobicContact CB-CB 4.39Å; A154-A158 WeakPolarHBondContact O-CB 3.32Å; A154-A158 PolarHBondContact O-N 2.8Å; Y155-A158 WeakPolarHBondContact O-CB 3.33Å; Y155-A158 PolarHBondContact O-N 3.3Å; A158-A161 PolarHBondContact O-N 3.32Å; A158-A162 VanDerWaalsContact O-CB 3.25Å; A158-A162 WeakPolarHBondContact O-CB 3.12Å; A158-A162 PolarHBondContact O-N 2.89Å; A158-L176 VanDerWaalsContact C-CD2 3.45Å; A158-L176 HydrophobicContact CB-CD1 3.64Å; A158-L176 HydrophobicContact CB-CD2 3.65Å; A158-L176 HydrophobicContact CB-CG 4.3Å
159T98.6Very high98Very high33 Ų3344.3 Ų44.320%0.20225%0.253CS..Hα-helixtrans-64.6-47.8179.9-63.80000110.7Y155 E156 A161 A162 E163Y155-T159 WeakPolarHBondContact O-CB 3.25Å; Y155-T159 PolarHBondContact O-N 3.03Å; Y155-T159 PolarHBondContact O-OG1 3.22Å; Y155-T159 VanDerWaalsContact O-OG1 3.04Å; E156-T159 PolarHBondContact O-N 3.21Å; T159-A161 VanDerWaalsContact C-N 3.33Å; T159-A161 PolarHBondContact O-N 3.41Å; T159-A162 PolarHBondContact O-N 3.26Å; T159-A162 VanDerWaalsContact O-N 3.11Å; T159-E163 HydrophobicContact CG2-CG 4.35Å; T159-E163 WeakPolarHBondContact O-CG 3.29Å; T159-E163 PolarHBondContact O-N 2.9Å
160A98.1Very high97.8Very high57 Ų5742.5 Ų42.547%0.47124%0.242SC..Hα-helixtrans-59.4-43178.100000112.2E156 A164E156-A160 PolarHBondContact O-N 3.29Å; A160-A164 PolarHBondContact O-N 3.29Å
161A97.8Very high97.7Very high16 Ų1641.3 Ų41.313%0.13224%0.239CC..Hα-helixtrans-67.1-38.2175.200000112.2T121 V122 S157 A158 T159 A164 D165T121-A161 HydrophobicContact CG2-CB 4.03Å; V122-A161 HydrophobicContact CG2-CB 3.65Å; S157-A161 PolarHBondContact O-N 2.73Å; A158-A161 PolarHBondContact O-N 3.32Å; T159-A161 VanDerWaalsContact C-N 3.33Å; T159-A161 PolarHBondContact O-N 3.41Å; A161-A164 PolarHBondContact O-N 2.98Å; A161-D165 WeakPolarHBondContact O-CB 3.39Å; A161-D165 PolarHBondContact O-N 2.82Å
162A98.4Very high97.7Very high2 Ų242.4 Ų42.42%0.01725%0.245CC..Hα-helixtrans-68.3-38.2179.800000112.2V122 A158 T159 A164 L166 R173 L176V122-A162 HydrophobicContact CG1-CB 3.85Å; V122-A162 HydrophobicContact CG2-CB 3.83Å; V122-A162 VanDerWaalsContact CG2-N 3.32Å; A158-A162 VanDerWaalsContact O-CB 3.25Å; A158-A162 WeakPolarHBondContact O-CB 3.12Å; A158-A162 PolarHBondContact O-N 2.89Å; T159-A162 PolarHBondContact O-N 3.26Å; T159-A162 VanDerWaalsContact O-N 3.11Å; A162-A164 VanDerWaalsContact C-N 3.29Å; A162-A164 PolarHBondContact O-N 3.4Å; A162-L166 HydrophobicContact CB-CD1 4.36Å; A162-L166 WeakPolarHBondContact O-CA 3.38Å; A162-L166 WeakPolarHBondContact O-CB 3.38Å; A162-L166 PolarHBondContact O-N 3.1Å; A162-R173 HydrophobicContact CB-CB 4.28Å; A162-R173 HydrophobicContact CB-CG 4.04Å; A162-L176 HydrophobicContact CB-CD2 4.09Å
163E97.4Very high97.6Very high118 Ų11842.8 Ų42.855%0.55124%0.244SC*.Hα-helixtrans-66.6-32.2175.8-73.1173.8173.600112.4T159T159-E163 HydrophobicContact CG2-CG 4.35Å; T159-E163 WeakPolarHBondContact O-CG 3.29Å; T159-E163 PolarHBondContact O-N 2.9Å
164A96.5Very high97.6Very high77 Ų7737.5 Ų37.564%0.63622%0.221SC*.Hα-helixtrans-77-43.3177.900000112.9A160 A161 A162A160-A164 PolarHBondContact O-N 3.29Å; A161-A164 PolarHBondContact O-N 2.98Å; A162-A164 VanDerWaalsContact C-N 3.29Å; A162-A164 PolarHBondContact O-N 3.4Å
165D96.5Very high97.6Very high101 Ų10137.8 Ų37.854%0.5423%0.225SC..Hα-helixtrans-114.3-16.1-163.4-63.3-36000114.7G118 A161G118-D165 WeakPolarHBondContact CA-OD2 3.23Å; A161-D165 WeakPolarHBondContact O-CB 3.39Å; A161-D165 PolarHBondContact O-N 2.82Å
166L96.7Very high97.6Very high15 Ų1538 Ų388%0.07923%0.226CC..SBendtrans-122.8133.4-172.5-56.3-179000112.5E119 V122 A162 H170 I172 R173E119-L166 HydrophobicContact CB-CD2 4.17Å; E119-L166 HydrophobicContact CG-CD2 4.42Å; V122-L166 HydrophobicContact CB-CD1 4Å; V122-L166 HydrophobicContact CG1-CD1 4.02Å; V122-L166 HydrophobicContact CG2-CD1 3.82Å; V122-L166 HydrophobicContact CG2-CG 4.4Å; A162-L166 HydrophobicContact CB-CD1 4.36Å; A162-L166 WeakPolarHBondContact O-CA 3.38Å; A162-L166 WeakPolarHBondContact O-CB 3.38Å; A162-L166 PolarHBondContact O-N 3.1Å; L166-H170 HydrophobicContact CB-CB 4.01Å; L166-I172 HydrophobicContact CD1-CB 4.36Å; L166-I172 HydrophobicContact CD1-CG2 4.32Å; L166-R173 HydrophobicContact CB-CB 4.29Å; L166-R173 HydrophobicContact CD1-CB 4.36Å; L166-R173 PolarHBondContact O-NH1 3.2Å
167P96.1Very high97.6Very high62 Ų6233.5 Ų33.540%0.40321%0.207SC..  trans-64.2154.1174.227.5-33.6000111T169 H170P167-T169 PolarHBondContact O-N 2.82Å; P167-H170 HydrophobicContact CG-CB 4.06Å; P167-H170 WeakPolarHBondContact O-CB 3.36Å; P167-H170 PolarHBondContact O-N 3.37Å
168P97.2Very high97.6Very high18 Ų1832.2 Ų32.212%0.11720%0.196CC..THydrogen-bonded Turntrans-54.4-28.8179.3-25.934.3000114.4H170 E204P168-H170 VanDerWaalsContact C-N 3.32Å; P168-E204 HydrophobicContact CB-CB 3.87Å; P168-E204 HydrophobicContact CG-CB 4.41Å
169T96.7Very high97.6Very high3 Ų333.6 Ų33.62%0.01820%0.203CC..THydrogen-bonded Turntrans-81.9-4.3178.6510000114P167 A205 E208 L212 S220P167-T169 PolarHBondContact O-N 2.82Å; T169-A205 HydrophobicContact CG2-CB 4.4Å; T169-A205 WeakPolarHBondContact CG2-O 3.23Å; T169-E208 HydrophobicContact CG2-CB 3.74Å; T169-L212 HydrophobicContact CG2-CD1 4.42Å; T169-L212 HydrophobicContact CG2-CG 4.4Å; T169-L212 WeakPolarHBondContact OG1-CD2 3.39Å; T169-S220 WeakPolarHBondContact O-CB 3.48Å; T169-S220 PolarHBondContact O-OG 2.93Å
170H96.2Very high97.6Very high40 Ų4032.5 Ų32.519%0.18520%0.195CC..  trans-67.6129.7-177.4-164.3-86.7000111.5E119 L166 P167 P168 I172 R173 L174E119-H170 IonicContact OE2-CE1 3.92Å; E119-H170 IonicContact OE2-NE2 3.7Å; L166-H170 HydrophobicContact CB-CB 4.01Å; P167-H170 HydrophobicContact CG-CB 4.06Å; P167-H170 WeakPolarHBondContact O-CB 3.36Å; P167-H170 PolarHBondContact O-N 3.37Å; P168-H170 VanDerWaalsContact C-N 3.32Å; H170-I172 VanDerWaalsContact C-N 3.27Å; H170-I172 PolarHBondContact ND1-N 2.95Å; H170-I172 PolarHBondContact O-N 2.94Å; H170-I172 VanDerWaalsContact O-N 3.14Å; H170-R173 HydrophobicContact CB-CB 4.22Å; H170-R173 PolarHBondContact O-N 3.48Å; H170-L174 PolarHBondContact O-N 3.38Å
171P96.4Very high97.6Very high28 Ų2829.8 Ų29.818%0.18217%0.173CC..Hα-helixtrans-55-38.1-176.9-2833.3000114.3G175 D219 S220 I223P171-G175 PolarHBondContact O-N 2.8Å; P171-D219 HydrophobicContact CB-CB 4.23Å; P171-D219 HydrophobicContact CG-CB 3.97Å; P171-S220 WeakPolarHBondContact CG-OG 3.49Å; P171-I223 HydrophobicContact CB-CD1 4.02Å; P171-I223 VanDerWaalsContact O-CD1 3.23Å; P171-I223 WeakPolarHBondContact O-CD1 3.48Å
172I97.3Very high97.7Very high22 Ų2229.9 Ų29.911%0.11317%0.172CC..Hα-helixtrans-67.7-38.9178.1-65.8173.7000111.9E119 V122 F123 L166 H170 G175 L176E119-I172 HydrophobicContact CG-CD1 3.43Å; E119-I172 VanDerWaalsContact CG-CD1 3.43Å; V122-I172 HydrophobicContact CB-CG2 4.2Å; V122-I172 HydrophobicContact CG1-CG2 3.65Å; F123-I172 HydrophobicContact CB-CD1 4.49Å; F123-I172 HydrophobicContact CD2-CD1 3.86Å; F123-I172 HydrophobicContact CD2-CG1 4.31Å; L166-I172 HydrophobicContact CD1-CB 4.36Å; L166-I172 HydrophobicContact CD1-CG2 4.32Å; H170-I172 VanDerWaalsContact C-N 3.27Å; H170-I172 PolarHBondContact ND1-N 2.95Å; H170-I172 PolarHBondContact O-N 2.94Å; H170-I172 VanDerWaalsContact O-N 3.14Å; I172-G175 PolarHBondContact O-N 2.86Å; I172-L176 WeakPolarHBondContact O-CB 3.48Å; I172-L176 PolarHBondContact O-N 2.94Å
173R98.1Very high97.7Very high40 Ų4029.8 Ų29.815%0.15117%0.171CC..Hα-helixtrans-68.5-44.2177.8177.6171.3168.7171.3-3.6110.9A162 L166 H170 G175 L176 A177 E204A162-R173 HydrophobicContact CB-CB 4.28Å; A162-R173 HydrophobicContact CB-CG 4.04Å; L166-R173 HydrophobicContact CB-CB 4.29Å; L166-R173 HydrophobicContact CD1-CB 4.36Å; L166-R173 PolarHBondContact O-NH1 3.2Å; H170-R173 HydrophobicContact CB-CB 4.22Å; H170-R173 PolarHBondContact O-N 3.48Å; R173-G175 PolarHBondContact O-N 3Å; R173-L176 WeakPolarHBondContact O-CB 3.36Å; R173-L176 PolarHBondContact O-N 3.08Å; R173-A177 PolarHBondContact O-N 3.38Å; R173-E204 IonicContact CZ-OE2 3.92Å; R173-E204 IonicContact NH2-OE2 2.88Å; R173-E204 PolarHBondContact NH2-OE2 2.99Å
174L98.5Very high97.7Very high1 Ų125.6 Ų25.61%0.00515%0.151CC..Hα-helixtrans-60-45.2172.6-75171.1000111.9H170 L176 A177 L178 A205 I223 M224 L227H170-L174 PolarHBondContact O-N 3.38Å; L174-L176 VanDerWaalsContact C-N 3.28Å; L174-L176 PolarHBondContact O-N 2.84Å; L174-A177 PolarHBondContact O-N 3.12Å; L174-L178 PolarHBondContact O-N 3.34Å; L174-A205 HydrophobicContact CD1-CB 4.44Å; L174-A205 HydrophobicContact CD2-CB 3.7Å; L174-A205 HydrophobicContact CG-CB 4.48Å; L174-I223 HydrophobicContact CB-CB 4.17Å; L174-I223 HydrophobicContact CB-CD1 4.42Å; L174-I223 HydrophobicContact CB-CG2 3.66Å; L174-M224 HydrophobicContact CD1-CG 3.95Å; L174-M224 HydrophobicContact CD1-SD 4.38Å; L174-M224 HydrophobicContact CD2-CG 4.03Å; L174-L227 HydrophobicContact CD2-CD1 4.01Å
175G98.4Very high97.8Very high10 Ų1024.7 Ų24.710%0.10313%0.131CC..Hα-helixtrans-65.1-31.7177.900000113K126 P171 I172 R173 N179K126-G175 WeakPolarHBondContact CE-O 3.24Å; P171-G175 PolarHBondContact O-N 2.8Å; I172-G175 PolarHBondContact O-N 2.86Å; R173-G175 PolarHBondContact O-N 3Å; G175-N179 WeakPolarHBondContact O-CB 3.31Å; G175-N179 PolarHBondContact O-N 2.86Å; G175-N179 VanDerWaalsContact O-N 3.1Å
176L98.8Very high97.9Very high4 Ų424.8 Ų24.82%0.02113%0.128CC..Hα-helixtrans-64-50.9170.8169.463.7000110.9V122 K126 Y155 A158 A162 I172 R173 L174 L178 N179 F180V122-L176 HydrophobicContact CG1-CD2 4.19Å; K126-L176 HydrophobicContact CB-CD1 4.05Å; K126-L176 HydrophobicContact CD-CB 4.08Å; K126-L176 HydrophobicContact CG-CB 4.29Å; K126-L176 HydrophobicContact CG-CD1 3.97Å; Y155-L176 HydrophobicContact CD1-CD1 3.64Å; Y155-L176 HydrophobicContact CE1-CD1 4.32Å; A158-L176 VanDerWaalsContact C-CD2 3.45Å; A158-L176 HydrophobicContact CB-CD1 3.64Å; A158-L176 HydrophobicContact CB-CD2 3.65Å; A158-L176 HydrophobicContact CB-CG 4.3Å; A162-L176 HydrophobicContact CB-CD2 4.09Å; I172-L176 WeakPolarHBondContact O-CB 3.48Å; I172-L176 PolarHBondContact O-N 2.94Å; R173-L176 WeakPolarHBondContact O-CB 3.36Å; R173-L176 PolarHBondContact O-N 3.08Å; L174-L176 VanDerWaalsContact C-N 3.28Å; L174-L176 PolarHBondContact O-N 2.84Å; L176-L178 VanDerWaalsContact C-N 3.29Å; L176-L178 PolarHBondContact O-N 3.41Å; L176-N179 PolarHBondContact O-N 3.18Å; L176-F180 VanDerWaalsContact O-CB 3.28Å; L176-F180 WeakPolarHBondContact O-CB 3.22Å; L176-F180 PolarHBondContact O-N 3.41Å
177A98.8Very high98Very high9 Ų924.9 Ų24.97%0.07413%0.129CC..Hα-helixtrans-59.6-40.7178.100000112.1R173 L174 S181 A201R173-A177 PolarHBondContact O-N 3.38Å; L174-A177 PolarHBondContact O-N 3.12Å; A177-S181 VanDerWaalsContact O-CB 3.29Å; A177-S181 WeakPolarHBondContact O-CB 3.45Å; A177-S181 PolarHBondContact O-N 3.41Å; A177-S181 PolarHBondContact O-OG 3.47Å; A177-A201 HydrophobicContact CB-CB 3.37Å
178L98.7Very high98Very high20 Ų2024.7 Ų24.711%0.10512%0.124CC..Hα-helixtrans-57.9-51.8174.7179.168.1000111.1L174 L176 S181 V182 I223 L226 L227 N230L174-L178 PolarHBondContact O-N 3.34Å; L176-L178 VanDerWaalsContact C-N 3.29Å; L176-L178 PolarHBondContact O-N 3.41Å; L178-S181 PolarHBondContact O-OG 3.39Å; L178-V182 VanDerWaalsContact O-CG2 3.31Å; L178-V182 WeakPolarHBondContact O-CG2 3.31Å; L178-V182 PolarHBondContact O-N 3.2Å; L178-I223 HydrophobicContact CB-CG2 4.32Å; L178-I223 HydrophobicContact CD2-CG2 4.27Å; L178-L226 HydrophobicContact CD1-CB 3.95Å; L178-L226 HydrophobicContact CD2-CB 3.97Å; L178-L226 HydrophobicContact CD2-CD1 3.88Å; L178-L227 HydrophobicContact CB-CD2 3.94Å; L178-L227 HydrophobicContact CB-CG 4.25Å; L178-L227 HydrophobicContact CD1-CD2 3.96Å; L178-L227 HydrophobicContact CD1-CG 4.12Å; L178-N230 VanDerWaalsContact CD1-ND2 3.27Å; L178-N230 WeakPolarHBondContact CD1-ND2 3.31Å
179N98.6Very high98Very high29 Ų2930.4 Ų30.416%0.15515%0.153CC..Hα-helixtrans-72.6-35.2-175.9-777.8000113.2K126 D130 Y155 G175 L176 V182 F183K126-N179 PolarHBondContact NZ-ND2 3.21Å; D130-N179 VanDerWaalsContact OD1-CB 3.26Å; D130-N179 WeakPolarHBondContact OD1-CB 3.29Å; D130-N179 PolarHBondContact OD1-ND2 3.15Å; D130-N179 PolarHBondContact OD2-ND2 3.34Å; Y155-N179 HydrophobicContact CE1-CB 4.27Å; G175-N179 WeakPolarHBondContact O-CB 3.31Å; G175-N179 PolarHBondContact O-N 2.86Å; G175-N179 VanDerWaalsContact O-N 3.1Å; L176-N179 PolarHBondContact O-N 3.18Å; N179-V182 PolarHBondContact O-N 2.97Å; N179-F183 PolarHBondContact O-N 2.92Å
180F98.8Very high98.1Very high10 Ų1031.6 Ų31.64%0.04416%0.162CC..Hα-helixtrans-72.5-34.1178.7-168.7-168.4000111.7M152 Y155 E156 L176 F183 Y184 L197M152-F180 HydrophobicContact SD-CE2 3.59Å; M152-F180 VanDerWaalsContact SD-CE2 3.59Å; M152-F180 HydrophobicContact SD-CZ 3.53Å; M152-F180 VanDerWaalsContact SD-CZ 3.53Å; Y155-F180 HydrophobicContact CD1-CB 4.08Å; Y155-F180 HydrophobicContact CD1-CD2 4.49Å; Y155-F180 HydrophobicContact CD1-CG 4.31Å; Y155-F180 HydrophobicContact CD2-CB 4.36Å; Y155-F180 AromaticContact CD2-CD2 3.44Å; Y155-F180 HydrophobicContact CD2-CD2 3.44Å; Y155-F180 VanDerWaalsContact CD2-CD2 3.44Å; Y155-F180 AromaticContact CD2-CE2 3.88Å; Y155-F180 HydrophobicContact CD2-CE2 3.88Å; Y155-F180 HydrophobicContact CD2-CG 4.06Å; Y155-F180 HydrophobicContact CE1-CB 4.48Å; Y155-F180 HydrophobicContact CE2-CD2 4.24Å; Y155-F180 HydrophobicContact CG-CB 4.02Å; Y155-F180 HydrophobicContact CG-CD1 4.36Å; Y155-F180 AromaticContact CG-CD2 3.6Å; Y155-F180 HydrophobicContact CG-CD2 3.6Å; Y155-F180 HydrophobicContact CG-CE2 4.06Å; Y155-F180 AromaticContact CG-CG 3.77Å; Y155-F180 HydrophobicContact CG-CG 3.77Å; E156-F180 HydrophobicContact CG-CZ 4.27Å; L176-F180 VanDerWaalsContact O-CB 3.28Å; L176-F180 WeakPolarHBondContact O-CB 3.22Å; L176-F180 PolarHBondContact O-N 3.41Å; F180-F183 HydrophobicContact CD2-CB 4.25Å; F180-F183 AromaticContact CD2-CD1 3.77Å; F180-F183 HydrophobicContact CD2-CD1 3.77Å; F180-F183 HydrophobicContact CD2-CG 4.41Å; F180-F183 AromaticContact CE2-CD1 3.68Å; F180-F183 HydrophobicContact CE2-CD1 3.68Å; F180-F183 HydrophobicContact CE2-CE1 4.13Å; F180-F183 VanDerWaalsContact O-CB 3.32Å; F180-F183 WeakPolarHBondContact O-CB 3.39Å; F180-F183 PolarHBondContact O-N 3.45Å; F180-Y184 HydrophobicContact CD1-CE2 4.3Å; F180-Y184 AromaticContact CD2-CD2 3.93Å; F180-Y184 HydrophobicContact CD2-CD2 3.93Å; F180-Y184 AromaticContact CD2-CE2 3.67Å; F180-Y184 HydrophobicContact CD2-CE2 3.67Å; F180-Y184 HydrophobicContact CE1-CE2 4.03Å; F180-Y184 HydrophobicContact CE2-CD2 4Å; F180-Y184 AromaticContact CE2-CE2 3.34Å; F180-Y184 HydrophobicContact CE2-CE2 3.34Å; F180-Y184 AromaticContact CE2-CZ 3.76Å; F180-Y184 HydrophobicContact CG-CD2 4.45Å; F180-Y184 HydrophobicContact CG-CE2 4.15Å; F180-Y184 AromaticContact CZ-CE2 3.56Å; F180-Y184 HydrophobicContact CZ-CE2 3.56Å; F180-Y184 AromaticContact CZ-CZ 3.83Å; F180-Y184 VanDerWaalsContact O-CD2 3.27Å; F180-Y184 WeakPolarHBondContact O-CD2 3.26Å; F180-Y184 PolarHBondContact O-N 3.22Å; F180-L197 HydrophobicContact CB-CD2 3.77Å; F180-L197 HydrophobicContact CD1-CD2 3.61Å; F180-L197 HydrophobicContact CE1-CD2 4.4Å; F180-L197 HydrophobicContact CG-CD2 3.7Å
181S98.7Very high98.1Very high0 Ų030.3 Ų30.30%016%0.157CC..Hα-helixtrans-65.2-40171.362.80000111.9A177 L178 F183 Y184 Y185 A194A177-S181 VanDerWaalsContact O-CB 3.29Å; A177-S181 WeakPolarHBondContact O-CB 3.45Å; A177-S181 PolarHBondContact O-N 3.41Å; A177-S181 PolarHBondContact O-OG 3.47Å; L178-S181 PolarHBondContact O-OG 3.39Å; S181-F183 VanDerWaalsContact C-N 3.29Å; S181-F183 PolarHBondContact O-N 2.99Å; S181-Y184 PolarHBondContact O-N 3.38Å; S181-Y185 PolarHBondContact O-N 3.11Å; S181-A194 WeakPolarHBondContact CB-O 3.45Å; S181-A194 VanDerWaalsContact O-CB 3.25Å; S181-A194 WeakPolarHBondContact O-CB 3.38Å
182V98.5Very high98.2Very high19 Ų1933.6 Ų33.612%0.11517%0.17CC..Hα-helixtrans-59.4-39.7171.6174.90000111.5L178 N179 Y185 E186 W234L178-V182 VanDerWaalsContact O-CG2 3.31Å; L178-V182 WeakPolarHBondContact O-CG2 3.31Å; L178-V182 PolarHBondContact O-N 3.2Å; N179-V182 PolarHBondContact O-N 2.97Å; V182-Y185 PolarHBondContact O-N 2.87Å; V182-E186 HydrophobicContact CG1-CG 3.88Å; V182-E186 VanDerWaalsContact CG1-OE2 3.28Å; V182-E186 WeakPolarHBondContact CG1-OE2 3.48Å; V182-E186 WeakPolarHBondContact O-CB 3.44Å; V182-E186 PolarHBondContact O-N 2.92Å; V182-W234 HydrophobicContact CB-CH2 4.33Å; V182-W234 HydrophobicContact CG2-CH2 3.7Å; V182-W234 HydrophobicContact CG2-CZ2 3.91Å
183F98.8Very high98.2Very high0 Ų039.6 Ų39.60%019%0.191CC..Hα-helixtrans-59.5-48.6173.8170.8-106.2000112.6R133 A148 S151 M152 Y155 N179 F180 S181 Y185 I187 L188R133-F183 HydrophobicContact CB-CD2 4.25Å; R133-F183 HydrophobicContact CG-CD2 4.23Å; A148-F183 HydrophobicContact CB-CE2 4.36Å; A148-F183 HydrophobicContact CB-CZ 4.44Å; A148-F183 WeakPolarHBondContact O-CZ 3.45Å; S151-F183 WeakPolarHBondContact OG-CD2 3.13Å; S151-F183 WeakPolarHBondContact OG-CE2 3.28Å; M152-F183 HydrophobicContact CB-CE1 4.12Å; M152-F183 HydrophobicContact CB-CZ 4.18Å; M152-F183 HydrophobicContact CE-CE1 3.82Å; M152-F183 HydrophobicContact SD-CE1 3.99Å; Y155-F183 HydrophobicContact CD2-CB 4.19Å; Y155-F183 HydrophobicContact CD2-CD1 4.22Å; Y155-F183 HydrophobicContact CD2-CG 4.13Å; Y155-F183 HydrophobicContact CE2-CB 3.66Å; Y155-F183 HydrophobicContact CE2-CD1 4.42Å; Y155-F183 HydrophobicContact CE2-CD2 4.28Å; Y155-F183 AromaticContact CE2-CG 3.88Å; Y155-F183 HydrophobicContact CE2-CG 3.88Å; N179-F183 PolarHBondContact O-N 2.92Å; F180-F183 HydrophobicContact CD2-CB 4.25Å; F180-F183 AromaticContact CD2-CD1 3.77Å; F180-F183 HydrophobicContact CD2-CD1 3.77Å; F180-F183 HydrophobicContact CD2-CG 4.41Å; F180-F183 AromaticContact CE2-CD1 3.68Å; F180-F183 HydrophobicContact CE2-CD1 3.68Å; F180-F183 HydrophobicContact CE2-CE1 4.13Å; F180-F183 VanDerWaalsContact O-CB 3.32Å; F180-F183 WeakPolarHBondContact O-CB 3.39Å; F180-F183 PolarHBondContact O-N 3.45Å; S181-F183 VanDerWaalsContact C-N 3.29Å; S181-F183 PolarHBondContact O-N 2.99Å; F183-Y185 VanDerWaalsContact C-N 3.26Å; F183-Y185 PolarHBondContact O-N 2.88Å; F183-I187 HydrophobicContact CD2-CB 3.74Å; F183-I187 HydrophobicContact CD2-CG1 3.76Å; F183-I187 HydrophobicContact CD2-CG2 4.19Å; F183-I187 HydrophobicContact CE2-CB 3.79Å; F183-I187 HydrophobicContact CE2-CG1 4.16Å; F183-I187 HydrophobicContact CE2-CG2 3.73Å; F183-I187 WeakPolarHBondContact O-CB 3.33Å; F183-I187 PolarHBondContact O-N 2.9Å; F183-L188 HydrophobicContact CD1-CD1 4.09Å; F183-L188 HydrophobicContact CD1-CG 4.34Å; F183-L188 HydrophobicContact CE1-CD1 3.38Å; F183-L188 HydrophobicContact CE1-CD2 4.37Å; F183-L188 HydrophobicContact CE1-CG 3.74Å; F183-L188 HydrophobicContact CE2-CG 4.43Å; F183-L188 HydrophobicContact CZ-CD1 3.84Å; F183-L188 HydrophobicContact CZ-CD2 3.96Å; F183-L188 HydrophobicContact CZ-CG 3.77Å; F183-L188 PolarHBondContact O-N 3.3Å
184Y98.6Very high98.2Very high30 Ų3037.7 Ų37.712%0.11818%0.184CC..Hα-helixtrans-57.9-41.8177.2-83.9-66.6000111.9M152 F180 S181 L188 N189 S190 R193 L197M152-Y184 HydrophobicContact CE-CE1 3.69Å; F180-Y184 HydrophobicContact CD1-CE2 4.3Å; F180-Y184 AromaticContact CD2-CD2 3.93Å; F180-Y184 HydrophobicContact CD2-CD2 3.93Å; F180-Y184 AromaticContact CD2-CE2 3.67Å; F180-Y184 HydrophobicContact CD2-CE2 3.67Å; F180-Y184 HydrophobicContact CE1-CE2 4.03Å; F180-Y184 HydrophobicContact CE2-CD2 4Å; F180-Y184 AromaticContact CE2-CE2 3.34Å; F180-Y184 HydrophobicContact CE2-CE2 3.34Å; F180-Y184 AromaticContact CE2-CZ 3.76Å; F180-Y184 HydrophobicContact CG-CD2 4.45Å; F180-Y184 HydrophobicContact CG-CE2 4.15Å; F180-Y184 AromaticContact CZ-CE2 3.56Å; F180-Y184 HydrophobicContact CZ-CE2 3.56Å; F180-Y184 AromaticContact CZ-CZ 3.83Å; F180-Y184 VanDerWaalsContact O-CD2 3.27Å; F180-Y184 WeakPolarHBondContact O-CD2 3.26Å; F180-Y184 PolarHBondContact O-N 3.22Å; S181-Y184 PolarHBondContact O-N 3.38Å; Y184-L188 HydrophobicContact CD1-CD1 3.7Å; Y184-L188 HydrophobicContact CE1-CD1 3.84Å; Y184-L188 CarbonylContact O-C 3.45Å; Y184-N189 PolarHBondContact O-N 2.6Å; Y184-S190 PolarHBondContact O-N 3.24Å; Y184-R193 HydrophobicContact CD1-CB 3.74Å; Y184-R193 HydrophobicContact CE1-CB 4.14Å; Y184-R193 HydrophobicContact CG-CB 4.01Å; Y184-L197 HydrophobicContact CD2-CD2 4.05Å; Y184-L197 HydrophobicContact CE2-CD2 4.01Å
185Y98.4Very high98.2Very high58 Ų5838.2 Ų38.223%0.22719%0.188CC..Hα-helixtrans-71.1-61179.4-176.1-98.7000111.9S181 V182 F183 N189 P191 W234 D237S181-Y185 PolarHBondContact O-N 3.11Å; V182-Y185 PolarHBondContact O-N 2.87Å; F183-Y185 VanDerWaalsContact C-N 3.26Å; F183-Y185 PolarHBondContact O-N 2.88Å; Y185-N189 VanDerWaalsContact O-CA 3.32Å; Y185-N189 WeakPolarHBondContact O-CA 3.5Å; Y185-N189 PolarHBondContact O-N 3.1Å; Y185-P191 HydrophobicContact CD2-CB 4.01Å; Y185-P191 HydrophobicContact CE2-CB 4.21Å; Y185-W234 AromaticContact CD1-CD1 3.83Å; Y185-W234 HydrophobicContact CD1-CD2 4.47Å; Y185-W234 AromaticContact CD1-CE2 3.79Å; Y185-W234 HydrophobicContact CD1-CG 4.48Å; Y185-W234 HydrophobicContact CD1-CZ2 4.25Å; Y185-W234 AromaticContact CD1-NE1 3.34Å; Y185-W234 VanDerWaalsContact CD1-NE1 3.34Å; Y185-W234 HydrophobicContact CD2-CB 3.96Å; Y185-W234 AromaticContact CD2-CD1 3.44Å; Y185-W234 VanDerWaalsContact CD2-CD1 3.44Å; Y185-W234 AromaticContact CD2-CD2 3.86Å; Y185-W234 HydrophobicContact CD2-CD2 3.86Å; Y185-W234 AromaticContact CD2-CG 3.49Å; Y185-W234 HydrophobicContact CD2-CG 3.49Å; Y185-W234 VanDerWaalsContact CD2-CG 3.49Å; Y185-W234 AromaticContact CD2-NE1 3.76Å; Y185-W234 AromaticContact CE1-CD1 3.6Å; Y185-W234 AromaticContact CE1-NE1 3.38Å; Y185-W234 HydrophobicContact CE2-CB 3.9Å; Y185-W234 AromaticContact CE2-CD1 3.19Å; Y185-W234 HydrophobicContact CE2-CD2 4.37Å; Y185-W234 AromaticContact CE2-CG 3.57Å; Y185-W234 HydrophobicContact CE2-CG 3.57Å; Y185-W234 AromaticContact CE2-NE1 3.8Å; Y185-W234 AromaticContact CG-CD1 3.76Å; Y185-W234 AromaticContact CG-CD2 3.92Å; Y185-W234 HydrophobicContact CG-CD2 3.92Å; Y185-W234 AromaticContact CG-CE2 3.64Å; Y185-W234 AromaticContact CG-CG 3.98Å; Y185-W234 HydrophobicContact CG-CG 3.98Å; Y185-W234 HydrophobicContact CG-CZ2 4.18Å; Y185-W234 AromaticContact CG-NE1 3.54Å; Y185-W234 AromaticContact CZ-CD1 3.27Å; Y185-W234 AromaticContact CZ-NE1 3.61Å; Y185-D237 WeakPolarHBondContact CE2-OD2 3.41Å; Y185-D237 PolarHBondContact OH-OD2 2.7Å
186E97.3Very high98.1Very high102 Ų10244 Ų4448%0.47721%0.212SC..Hα-helixtrans-76.6-34-168.8-63.9-175.6158.800113.8R133 V182R133-E186 IonicContact NH1-OE2 3.6Å; V182-E186 HydrophobicContact CG1-CG 3.88Å; V182-E186 VanDerWaalsContact CG1-OE2 3.28Å; V182-E186 WeakPolarHBondContact CG1-OE2 3.48Å; V182-E186 WeakPolarHBondContact O-CB 3.44Å; V182-E186 PolarHBondContact O-N 2.92Å
187I98.4Very high98.1Very high18 Ų1845.3 Ų45.39%0.09222%0.219CC..THydrogen-bonded Turntrans-102-44.9-173.1-54.4-53.5000111.9R133 A136 E137 A148 F183R133-I187 HydrophobicContact CG-CD1 4.23Å; R133-I187 HydrophobicContact CG-CG1 3.78Å; A136-I187 HydrophobicContact CB-CD1 4.13Å; A136-I187 HydrophobicContact CB-CG1 4.41Å; A136-I187 HydrophobicContact CB-CG2 3.81Å; E137-I187 HydrophobicContact CG-CD1 4.06Å; A148-I187 HydrophobicContact CB-CG2 3.88Å; F183-I187 HydrophobicContact CD2-CB 3.74Å; F183-I187 HydrophobicContact CD2-CG1 3.76Å; F183-I187 HydrophobicContact CD2-CG2 4.19Å; F183-I187 HydrophobicContact CE2-CB 3.79Å; F183-I187 HydrophobicContact CE2-CG1 4.16Å; F183-I187 HydrophobicContact CE2-CG2 3.73Å; F183-I187 WeakPolarHBondContact O-CB 3.33Å; F183-I187 PolarHBondContact O-N 2.9Å
188L98Very high98.1Very high57 Ų5744.9 Ų44.930%0.29822%0.215SC..THydrogen-bonded Turntrans-91.7-3.5-178.4-59.6-174.3000113.6A148 M152 F183 Y184 S190A148-L188 HydrophobicContact CB-CD2 4.5Å; M152-L188 HydrophobicContact CE-CD1 3.39Å; F183-L188 HydrophobicContact CD1-CD1 4.09Å; F183-L188 HydrophobicContact CD1-CG 4.34Å; F183-L188 HydrophobicContact CE1-CD1 3.38Å; F183-L188 HydrophobicContact CE1-CD2 4.37Å; F183-L188 HydrophobicContact CE1-CG 3.74Å; F183-L188 HydrophobicContact CE2-CG 4.43Å; F183-L188 HydrophobicContact CZ-CD1 3.84Å; F183-L188 HydrophobicContact CZ-CD2 3.96Å; F183-L188 HydrophobicContact CZ-CG 3.77Å; F183-L188 PolarHBondContact O-N 3.3Å; Y184-L188 HydrophobicContact CD1-CD1 3.7Å; Y184-L188 HydrophobicContact CE1-CD1 3.84Å; Y184-L188 CarbonylContact O-C 3.45Å; L188-S190 PolarHBondContact O-N 3.22Å; L188-S190 PolarHBondContact O-OG 3.33Å
189N97Very high98Very high138 Ų13849.7 Ų49.774%0.73824%0.235SC*.  trans48.944.6179.8-166.270.7000111.7Y184 Y185 P191Y184-N189 PolarHBondContact O-N 2.6Å; Y185-N189 VanDerWaalsContact O-CA 3.32Å; Y185-N189 WeakPolarHBondContact O-CA 3.5Å; Y185-N189 PolarHBondContact O-N 3.1Å; N189-P191 WeakPolarHBondContact O-CD 3.39Å
190S97.5Very high98Very high28 Ų2852 Ų5220%0.19625%0.245CC..  trans-123.671.2-174.1-63.90000109.8Y184 L188 E192 R193 A194Y184-S190 PolarHBondContact O-N 3.24Å; L188-S190 PolarHBondContact O-N 3.22Å; L188-S190 PolarHBondContact O-OG 3.33Å; S190-E192 PolarHBondContact O-N 2.87Å; S190-R193 PolarHBondContact O-N 3.09Å; S190-A194 PolarHBondContact O-N 3.04Å
191P97.1Very high98Very high14 Ų1452 Ų529%0.09125%0.248CC..Hα-helixtrans-60-33.5-176.324.3-32.9000112.7Y185 N189 R193 A194 C195 I238Y185-P191 HydrophobicContact CD2-CB 4.01Å; Y185-P191 HydrophobicContact CE2-CB 4.21Å; N189-P191 WeakPolarHBondContact O-CD 3.39Å; P191-R193 PolarHBondContact O-N 3.28Å; P191-A194 PolarHBondContact O-N 3.04Å; P191-C195 WeakPolarHBondContact O-CB 3.48Å; P191-C195 PolarHBondContact O-N 3.38Å; P191-C195 PolarHBondContact O-SG 3.14Å; P191-C195 VanDerWaalsContact O-SG 3.38Å; P191-I238 HydrophobicContact CB-CG1 4.15Å; P191-I238 HydrophobicContact CG-CG1 4.42Å
192E97.1Very high97.9Very high96 Ų9653.9 Ų53.945%0.44926%0.256SS..Hα-helixtrans-63.3-43.5178.6-56.474.6-161.700111.1S190 H196 I238S190-E192 PolarHBondContact O-N 2.87Å; E192-H196 VanDerWaalsContact O-CB 3.28Å; E192-H196 WeakPolarHBondContact O-CB 3.49Å; E192-H196 PolarHBondContact O-N 3.25Å; E192-I238 HydrophobicContact CG-CD1 4.41Å; E192-I238 HydrophobicContact CG-CG1 4.34Å; E192-I238 HydrophobicContact CG-CG2 4.15Å
193R97.6Very high97.9Very high148 Ų14856.8 Ų56.856%0.55827%0.271SS*.Hα-helixtrans-69.5-39.7176.9-70-172.3176.4-173.9-0.7111.8Y184 S190 P191 H196 L197Y184-R193 HydrophobicContact CD1-CB 3.74Å; Y184-R193 HydrophobicContact CE1-CB 4.14Å; Y184-R193 HydrophobicContact CG-CB 4.01Å; S190-R193 PolarHBondContact O-N 3.09Å; P191-R193 PolarHBondContact O-N 3.28Å; R193-H196 PolarHBondContact O-N 3.26Å; R193-L197 WeakPolarHBondContact O-CB 3.41Å; R193-L197 PolarHBondContact O-N 3.43Å
194A98.1Very high97.8Very high0 Ų059.5 Ų59.50%028%0.283CS..Hα-helixtrans-59.6-49.5175.800000111.1S181 S190 P191 L197 A198 W234S181-A194 WeakPolarHBondContact CB-O 3.45Å; S181-A194 VanDerWaalsContact O-CB 3.25Å; S181-A194 WeakPolarHBondContact O-CB 3.38Å; S190-A194 PolarHBondContact O-N 3.04Å; P191-A194 PolarHBondContact O-N 3.04Å; A194-L197 PolarHBondContact O-N 2.96Å; A194-A198 WeakPolarHBondContact O-CB 3.04Å; A194-A198 PolarHBondContact O-N 3.22Å; A194-W234 HydrophobicContact CB-CE3 3.88Å; A194-W234 HydrophobicContact CB-CZ3 3.99Å
195C98Very high97.7Very high12 Ų1258 Ų588%0.08128%0.278CS..Hα-helixtrans-64.9-42.4177.8-72.30000112.3P191 L197 A198 K199 L231 I238P191-C195 WeakPolarHBondContact O-CB 3.48Å; P191-C195 PolarHBondContact O-N 3.38Å; P191-C195 PolarHBondContact O-SG 3.14Å; P191-C195 VanDerWaalsContact O-SG 3.38Å; C195-L197 PolarHBondContact O-N 2.83Å; C195-A198 PolarHBondContact O-N 3.33Å; C195-K199 WeakPolarHBondContact O-CB 3.43Å; C195-K199 PolarHBondContact O-N 2.86Å; C195-L231 HydrophobicContact CB-CD2 3.99Å; C195-L231 VanDerWaalsContact O-CD2 3.29Å; C195-L231 WeakPolarHBondContact O-CD2 3.33Å; C195-I238 HydrophobicContact CB-CD1 4.22Å
196H97.9Very high97.6Very high131 Ų13159.2 Ų59.261%0.60629%0.287SS*.Hα-helixtrans-57.9-49.9177.3-178.570.1000111.6E192 R193 K199 Q200E192-H196 VanDerWaalsContact O-CB 3.28Å; E192-H196 WeakPolarHBondContact O-CB 3.49Å; E192-H196 PolarHBondContact O-N 3.25Å; R193-H196 PolarHBondContact O-N 3.26Å; H196-K199 PolarHBondContact O-N 2.75Å; H196-Q200 WeakPolarHBondContact O-CB 3.5Å; H196-Q200 PolarHBondContact O-N 2.97Å
197L98.3Very high97.4Very high33 Ų3358.8 Ų58.817%0.17330%0.295CS..Hα-helixtrans-64.2-46.9179.9179.862.6000112.2F180 Y184 R193 A194 C195 K199 Q200 A201F180-L197 HydrophobicContact CB-CD2 3.77Å; F180-L197 HydrophobicContact CD1-CD2 3.61Å; F180-L197 HydrophobicContact CE1-CD2 4.4Å; F180-L197 HydrophobicContact CG-CD2 3.7Å; Y184-L197 HydrophobicContact CD2-CD2 4.05Å; Y184-L197 HydrophobicContact CE2-CD2 4.01Å; R193-L197 WeakPolarHBondContact O-CB 3.41Å; R193-L197 PolarHBondContact O-N 3.43Å; A194-L197 PolarHBondContact O-N 2.96Å; C195-L197 PolarHBondContact O-N 2.83Å; L197-K199 VanDerWaalsContact C-N 3.33Å; L197-K199 PolarHBondContact O-N 2.65Å; L197-Q200 PolarHBondContact O-N 3.15Å; L197-A201 PolarHBondContact O-N 3.2Å; L197-A201 VanDerWaalsContact O-N 3.09Å
198A98.2Very high97.2Very high0 Ų061.8 Ų61.80%031%0.309CS..Hα-helixtrans-64.1-39.7-179.800000112A194 C195 F202 L227 L231A194-A198 WeakPolarHBondContact O-CB 3.04Å; A194-A198 PolarHBondContact O-N 3.22Å; C195-A198 PolarHBondContact O-N 3.33Å; A198-F202 WeakPolarHBondContact O-CB 3.46Å; A198-F202 PolarHBondContact O-N 2.91Å; A198-F202 VanDerWaalsContact O-N 3.08Å; A198-L227 HydrophobicContact CB-CD2 3.81Å; A198-L231 HydrophobicContact CB-CD1 4.42Å; A198-L231 HydrophobicContact CB-CD2 3.81Å; A198-L231 HydrophobicContact CB-CG 3.93Å
199K97.8Very high96.9Very high120 Ų12060.3 Ų60.352%0.52230%0.301SS..Hα-helixtrans-67.4-46.5177.5-176.2177.1-179.9-177.90111.6C195 H196 L197 A201 F202 D203 L231C195-K199 WeakPolarHBondContact O-CB 3.43Å; C195-K199 PolarHBondContact O-N 2.86Å; H196-K199 PolarHBondContact O-N 2.75Å; L197-K199 VanDerWaalsContact C-N 3.33Å; L197-K199 PolarHBondContact O-N 2.65Å; K199-A201 PolarHBondContact O-N 3.38Å; K199-F202 PolarHBondContact O-N 2.95Å; K199-D203 WeakPolarHBondContact CE-OD2 3.36Å; K199-D203 WeakPolarHBondContact CG-OD2 3.38Å; K199-D203 WeakPolarHBondContact O-CB 3.42Å; K199-D203 VanDerWaalsContact O-CG 3.31Å; K199-D203 PolarHBondContact O-N 2.96Å; K199-L231 HydrophobicContact CB-CD1 4.18Å; K199-L231 HydrophobicContact CB-CD2 4.03Å
200Q98.2Very high96.6Very high77 Ų7761.2 Ų61.236%0.3631%0.306SS..Hα-helixtrans-56.5-50177.4-179.2-175.7-22.500111.1H196 L197 F202 D203 E204H196-Q200 WeakPolarHBondContact O-CB 3.5Å; H196-Q200 PolarHBondContact O-N 2.97Å; L197-Q200 PolarHBondContact O-N 3.15Å; Q200-F202 VanDerWaalsContact C-N 3.31Å; Q200-F202 PolarHBondContact O-N 3.47Å; Q200-D203 PolarHBondContact O-N 3.26Å; Q200-E204 HydrophobicContact CG-CG 4.38Å; Q200-E204 VanDerWaalsContact CG-OE1 3.28Å; Q200-E204 WeakPolarHBondContact CG-OE1 3.33Å; Q200-E204 PolarHBondContact NE2-OE1 3.36Å; Q200-E204 WeakPolarHBondContact O-CB 3.3Å; Q200-E204 VanDerWaalsContact O-CG 3.31Å; Q200-E204 WeakPolarHBondContact O-CG 3.44Å; Q200-E204 PolarHBondContact O-N 3.49Å
201A98.1Very high96.2Very high12 Ų1265.1 Ų65.110%0.09933%0.328CS..Hα-helixtrans-62.4-38179.400000112.8A177 L197 K199 A205 L227A177-A201 HydrophobicContact CB-CB 3.37Å; L197-A201 PolarHBondContact O-N 3.2Å; L197-A201 VanDerWaalsContact O-N 3.09Å; K199-A201 PolarHBondContact O-N 3.38Å; A201-A205 VanDerWaalsContact O-CB 3.3Å; A201-A205 WeakPolarHBondContact O-CB 3.28Å; A201-A205 PolarHBondContact O-N 2.97Å; A201-A205 VanDerWaalsContact O-N 3.11Å; A201-L227 HydrophobicContact CB-CD1 4.41Å
202F97.7Very high95.8Very high39 Ų3966.4 Ų66.417%0.17133%0.334CS..Hα-helixtrans-66.2-47.1176.7-174.8-97.1000111.9A198 K199 Q200 A205 I206 M224 L227 R228A198-F202 WeakPolarHBondContact O-CB 3.46Å; A198-F202 PolarHBondContact O-N 2.91Å; A198-F202 VanDerWaalsContact O-N 3.08Å; K199-F202 PolarHBondContact O-N 2.95Å; Q200-F202 VanDerWaalsContact C-N 3.31Å; Q200-F202 PolarHBondContact O-N 3.47Å; F202-A205 PolarHBondContact O-N 3.04Å; F202-I206 HydrophobicContact CD1-CD1 3.54Å; F202-I206 HydrophobicContact CD1-CG1 4.34Å; F202-I206 HydrophobicContact CE1-CD1 3.07Å; F202-I206 HydrophobicContact CE1-CG1 4.16Å; F202-I206 HydrophobicContact CE2-CD1 4.36Å; F202-I206 HydrophobicContact CG-CD1 4.37Å; F202-I206 HydrophobicContact CZ-CD1 3.54Å; F202-I206 HydrophobicContact CZ-CG1 4.39Å; F202-I206 WeakPolarHBondContact O-CB 3.14Å; F202-I206 WeakPolarHBondContact O-CG1 3.29Å; F202-I206 PolarHBondContact O-N 2.84Å; F202-M224 HydrophobicContact CD2-CB 3.99Å; F202-M224 HydrophobicContact CD2-CE 4.29Å; F202-M224 HydrophobicContact CD2-CG 4.46Å; F202-M224 WeakPolarHBondContact CD2-O 3.32Å; F202-M224 HydrophobicContact CE2-CB 3.98Å; F202-M224 HydrophobicContact CE2-CE 4.31Å; F202-M224 WeakPolarHBondContact CE2-O 3.43Å; F202-L227 HydrophobicContact CD2-CB 4.47Å; F202-R228 HydrophobicContact CE2-CB 3.97Å; F202-R228 HydrophobicContact CZ-CB 4.32Å; F202-R228 HydrophobicContact CZ-CG 4.44Å
203D97.6Very high95.4Very high80 Ų8066.4 Ų66.443%0.42834%0.337SS..Hα-helixtrans-66.3-42.7-179-69.3-16.3000111.5K199 Q200 I206 S207K199-D203 WeakPolarHBondContact CE-OD2 3.36Å; K199-D203 WeakPolarHBondContact CG-OD2 3.38Å; K199-D203 WeakPolarHBondContact O-CB 3.42Å; K199-D203 VanDerWaalsContact O-CG 3.31Å; K199-D203 PolarHBondContact O-N 2.96Å; Q200-D203 PolarHBondContact O-N 3.26Å; D203-I206 PolarHBondContact O-N 3.49Å; D203-S207 PolarHBondContact O-N 3.04Å
204E96.9Very high95Very high56 Ų5667.8 Ų67.826%0.26235%0.35SS..Hα-helixtrans-60.4-48.5174.8-72.5175.9-170.900111.1P168 R173 Q200 I206 S207P168-E204 HydrophobicContact CB-CB 3.87Å; P168-E204 HydrophobicContact CG-CB 4.41Å; R173-E204 IonicContact CZ-OE2 3.92Å; R173-E204 IonicContact NH2-OE2 2.88Å; R173-E204 PolarHBondContact NH2-OE2 2.99Å; Q200-E204 HydrophobicContact CG-CG 4.38Å; Q200-E204 VanDerWaalsContact CG-OE1 3.28Å; Q200-E204 WeakPolarHBondContact CG-OE1 3.33Å; Q200-E204 PolarHBondContact NE2-OE1 3.36Å; Q200-E204 WeakPolarHBondContact O-CB 3.3Å; Q200-E204 VanDerWaalsContact O-CG 3.31Å; Q200-E204 WeakPolarHBondContact O-CG 3.44Å; Q200-E204 PolarHBondContact O-N 3.49Å; E204-I206 PolarHBondContact O-N 3.47Å; E204-S207 PolarHBondContact O-N 3.43Å; E204-S207 PolarHBondContact O-OG 2.7Å
205A96.8Very high94.4Very high0 Ų075.1 Ų75.10%038%0.384CS..Hα-helixtrans-66.9-37.1-179.500000113T169 L174 A201 F202 S207 E208 L209 M224T169-A205 HydrophobicContact CG2-CB 4.4Å; T169-A205 WeakPolarHBondContact CG2-O 3.23Å; L174-A205 HydrophobicContact CD1-CB 4.44Å; L174-A205 HydrophobicContact CD2-CB 3.7Å; L174-A205 HydrophobicContact CG-CB 4.48Å; A201-A205 VanDerWaalsContact O-CB 3.3Å; A201-A205 WeakPolarHBondContact O-CB 3.28Å; A201-A205 PolarHBondContact O-N 2.97Å; A201-A205 VanDerWaalsContact O-N 3.11Å; F202-A205 PolarHBondContact O-N 3.04Å; A205-S207 PolarHBondContact O-N 3.42Å; A205-E208 PolarHBondContact O-N 3.06Å; A205-L209 WeakPolarHBondContact O-CB 3.46Å; A205-L209 PolarHBondContact O-N 3.23Å; A205-M224 HydrophobicContact CB-CE 3.91Å; A205-M224 HydrophobicContact CB-CG 4.39Å; A205-M224 HydrophobicContact CB-SD 3.9Å
206I95.6Very high93.9Very high83 Ų8376 Ų7643%0.42639%0.391SS..Hα-helixtrans-56.7-41.8174.1-81.2-179.7000111F202 D203 E204 E208 L209 M224F202-I206 HydrophobicContact CD1-CD1 3.54Å; F202-I206 HydrophobicContact CD1-CG1 4.34Å; F202-I206 HydrophobicContact CE1-CD1 3.07Å; F202-I206 HydrophobicContact CE1-CG1 4.16Å; F202-I206 HydrophobicContact CE2-CD1 4.36Å; F202-I206 HydrophobicContact CG-CD1 4.37Å; F202-I206 HydrophobicContact CZ-CD1 3.54Å; F202-I206 HydrophobicContact CZ-CG1 4.39Å; F202-I206 WeakPolarHBondContact O-CB 3.14Å; F202-I206 WeakPolarHBondContact O-CG1 3.29Å; F202-I206 PolarHBondContact O-N 2.84Å; D203-I206 PolarHBondContact O-N 3.49Å; E204-I206 PolarHBondContact O-N 3.47Å; I206-E208 PolarHBondContact O-N 3.09Å; I206-L209 PolarHBondContact O-N 3.47Å; I206-M224 HydrophobicContact CB-CE 4.36Å; I206-M224 HydrophobicContact CD1-CE 4.44Å; I206-M224 HydrophobicContact CG1-CE 3.42Å; I206-M224 VanDerWaalsContact CG1-CE 3.42Å
207S94.2Very high93.6Very high92 Ų9275 Ų7564%0.64338%0.383SS*.Hα-helixtrans-65.9-20.1-174.373.70000114.1D203 E204 A205D203-S207 PolarHBondContact O-N 3.04Å; E204-S207 PolarHBondContact O-N 3.43Å; E204-S207 PolarHBondContact O-OG 2.7Å; A205-S207 PolarHBondContact O-N 3.42Å
208E94.2Very high93.4Very high82 Ų8280.7 Ų80.738%0.38341%0.406SS..Hα-helixtrans-118.60.7-177.7-66.7-176.5-154.200113.3T169 A205 I206 D210 T211T169-E208 HydrophobicContact CG2-CB 3.74Å; A205-E208 PolarHBondContact O-N 3.06Å; I206-E208 PolarHBondContact O-N 3.09Å; E208-D210 VanDerWaalsContact C-N 3.28Å; E208-D210 PolarHBondContact O-N 3.46Å; E208-T211 WeakPolarHBondContact O-CB 3.24Å; E208-T211 PolarHBondContact O-N 3.47Å; E208-T211 VanDerWaalsContact O-N 3.11Å; E208-T211 PolarHBondContact O-OG1 3.46Å
209L91.7Very high93.2Very high25 Ų2584.4 Ų84.413%0.13143%0.426CS..G310 helixtrans-60.3-35.5-169.3-168.566.2000113.4A205 I206 T211 L212 Y217 T221 M224A205-L209 WeakPolarHBondContact O-CB 3.46Å; A205-L209 PolarHBondContact O-N 3.23Å; I206-L209 PolarHBondContact O-N 3.47Å; L209-T211 PolarHBondContact O-N 2.94Å; L209-L212 HydrophobicContact CD1-CD1 3.77Å; L209-L212 PolarHBondContact O-N 2.9Å; L209-Y217 HydrophobicContact CD1-CD2 4.37Å; L209-Y217 HydrophobicContact CD1-CE2 4.42Å; L209-Y217 HydrophobicContact CD2-CE2 4.07Å; L209-Y217 HydrophobicContact CG-CD2 4.21Å; L209-Y217 HydrophobicContact CG-CE2 3.86Å; L209-T221 HydrophobicContact CD1-CG2 4.22Å; L209-T221 HydrophobicContact CD2-CG2 4.05Å; L209-M224 HydrophobicContact CD1-SD 3.78Å; L209-M224 HydrophobicContact CD2-CE 4.3Å; L209-M224 HydrophobicContact CD2-SD 4.35Å
210D90.4Very high93.1Very high158 Ų15878.7 Ų78.785%0.84540%0.401SS*.G310 helixtrans-65.9-9.2-178.5-68.2-23.7000113.5E208E208-D210 VanDerWaalsContact C-N 3.28Å; E208-D210 PolarHBondContact O-N 3.46Å
211T88.5Confident93Very high109 Ų10977.1 Ų77.167%0.66940%0.397SS*.G310 helixtrans-91.1-8-179.469.40000113.9E208 L209E208-T211 WeakPolarHBondContact O-CB 3.24Å; E208-T211 PolarHBondContact O-N 3.47Å; E208-T211 VanDerWaalsContact O-N 3.11Å; E208-T211 PolarHBondContact O-OG1 3.46Å; L209-T211 PolarHBondContact O-N 2.94Å
212L89.1Confident92.9Very high41 Ų4181.7 Ų81.722%0.21542%0.419CS..  trans-76.1151.4-173.9-69.8-176.2000113.5T169 L209 Y217T169-L212 HydrophobicContact CG2-CD1 4.42Å; T169-L212 HydrophobicContact CG2-CG 4.4Å; T169-L212 WeakPolarHBondContact OG1-CD2 3.39Å; L209-L212 HydrophobicContact CD1-CD1 3.77Å; L209-L212 PolarHBondContact O-N 2.9Å; L212-Y217 HydrophobicContact CB-CD2 4.44Å
213N88.7Confident92.9Very high96 Ų9681.2 Ų81.251%0.51342%0.418SS..  trans-73.6164.81636642.2000111.2E215 S216 Y217N213-E215 PolarHBondContact O-N 2.89Å; N213-E215 PolarHBondContact OD1-N 3.26Å; N213-S216 PolarHBondContact O-N 3Å; N213-S216 VanDerWaalsContact OD1-CB 3.25Å; N213-S216 WeakPolarHBondContact OD1-CB 3.46Å; N213-S216 PolarHBondContact OD1-N 3.21Å; N213-S216 PolarHBondContact OD1-OG 3.11Å; N213-Y217 WeakPolarHBondContact O-CB 3.25Å; N213-Y217 PolarHBondContact O-N 3.43Å
214E88.2Confident92.9Very high177 Ų17777.8 Ų77.883%0.82740%0.4SS*.Hα-helixtrans-59.4-40.3-173.6-171176.3-178.800114K218E214-K218 PolarHBondContact O-N 2.87Å
215E85.9Confident93Very high154 Ų15478.1 Ų78.172%0.7240%0.401SS*.Hα-helixtrans-66.7-51.1-179.8-176.6175.9-169.800111.5N213 Y217 K218 D219N213-E215 PolarHBondContact O-N 2.89Å; N213-E215 PolarHBondContact OD1-N 3.26Å; E215-Y217 VanDerWaalsContact C-N 3.27Å; E215-Y217 PolarHBondContact O-N 3.14Å; E215-K218 PolarHBondContact O-N 3.45Å; E215-D219 PolarHBondContact O-N 2.85Å
216S88.9Confident93Very high32 Ų3281.9 Ų81.922%0.22442%0.421CS..Hα-helixtrans-64.5-36.5178.5-53.60000111N213 K218 D219 S220N213-S216 PolarHBondContact O-N 3Å; N213-S216 VanDerWaalsContact OD1-CB 3.25Å; N213-S216 WeakPolarHBondContact OD1-CB 3.46Å; N213-S216 PolarHBondContact OD1-N 3.21Å; N213-S216 PolarHBondContact OD1-OG 3.11Å; S216-K218 VanDerWaalsContact C-N 3.34Å; S216-K218 PolarHBondContact O-N 3.08Å; S216-D219 PolarHBondContact O-N 3.42Å; S216-S220 VanDerWaalsContact O-CB 3.24Å; S216-S220 WeakPolarHBondContact O-CB 3.44Å; S216-S220 PolarHBondContact O-N 3.02Å; S216-S220 PolarHBondContact O-OG 3.38Å
217Y91.5Very high93.2Very high108 Ų10877.9 Ų77.942%0.42440%0.4SS..Hα-helixtrans-58.7-45178.1-174.9-88.6000111.8L209 L212 N213 E215 T221L209-Y217 HydrophobicContact CD1-CD2 4.37Å; L209-Y217 HydrophobicContact CD1-CE2 4.42Å; L209-Y217 HydrophobicContact CD2-CE2 4.07Å; L209-Y217 HydrophobicContact CG-CD2 4.21Å; L209-Y217 HydrophobicContact CG-CE2 3.86Å; L212-Y217 HydrophobicContact CB-CD2 4.44Å; N213-Y217 WeakPolarHBondContact O-CB 3.25Å; N213-Y217 PolarHBondContact O-N 3.43Å; E215-Y217 VanDerWaalsContact C-N 3.27Å; E215-Y217 PolarHBondContact O-N 3.14Å; Y217-T221 HydrophobicContact CD1-CG2 4.07Å; Y217-T221 HydrophobicContact CD2-CG2 4.44Å; Y217-T221 HydrophobicContact CE1-CG2 3.77Å; Y217-T221 HydrophobicContact CE2-CG2 4.18Å; Y217-T221 HydrophobicContact CG-CG2 4.38Å; Y217-T221 VanDerWaalsContact O-CB 3.31Å; Y217-T221 WeakPolarHBondContact O-CB 3.39Å; Y217-T221 WeakPolarHBondContact O-CG2 3.35Å; Y217-T221 PolarHBondContact O-N 3.43Å; Y217-T221 PolarHBondContact O-OG1 2.88Å
218K93.2Very high93.3Very high154 Ų15479.1 Ų79.167%0.6739%0.391SS*.Hα-helixtrans-63.2-47.6179.7-177.3-177172.8-171.20112.2E214 E215 S216 T221 L222E214-K218 PolarHBondContact O-N 2.87Å; E215-K218 PolarHBondContact O-N 3.45Å; S216-K218 VanDerWaalsContact C-N 3.34Å; S216-K218 PolarHBondContact O-N 3.08Å; K218-T221 PolarHBondContact O-OG1 2.86Å; K218-T221 VanDerWaalsContact O-OG1 3.11Å; K218-L222 PolarHBondContact O-N 3.41Å
219D93.7Very high93.5Very high78 Ų7878.6 Ų78.642%0.41739%0.391SS..Hα-helixtrans-69.8-42.7-177.5-75.2-9.1000111.6P171 E215 S216 L222 I223P171-D219 HydrophobicContact CB-CB 4.23Å; P171-D219 HydrophobicContact CG-CB 3.97Å; E215-D219 PolarHBondContact O-N 2.85Å; S216-D219 PolarHBondContact O-N 3.42Å; D219-L222 PolarHBondContact O-N 3.42Å; D219-I223 WeakPolarHBondContact O-CG1 3.46Å; D219-I223 PolarHBondContact O-N 3.41Å
220S95.6Very high93.7Very high0 Ų079 Ų790%039%0.393CS..Hα-helixtrans-65.5-43.9178.8-63.50000112.2T169 P171 S216 L222 I223 M224T169-S220 WeakPolarHBondContact O-CB 3.48Å; T169-S220 PolarHBondContact O-OG 2.93Å; P171-S220 WeakPolarHBondContact CG-OG 3.49Å; S216-S220 VanDerWaalsContact O-CB 3.24Å; S216-S220 WeakPolarHBondContact O-CB 3.44Å; S216-S220 PolarHBondContact O-N 3.02Å; S216-S220 PolarHBondContact O-OG 3.38Å; S220-L222 VanDerWaalsContact C-N 3.33Å; S220-L222 PolarHBondContact O-N 3.33Å; S220-I223 PolarHBondContact O-N 3.18Å; S220-M224 WeakPolarHBondContact O-CB 3.49Å; S220-M224 VanDerWaalsContact O-CG 3.24Å; S220-M224 WeakPolarHBondContact O-CG 3.2Å; S220-M224 PolarHBondContact O-N 2.59Å
221T96.1Very high93.9Very high44 Ų4472.7 Ų72.727%0.2736%0.359SS..Hα-helixtrans-64.9-35.4178.351.80000112.7L209 Y217 K218 M224 Q225L209-T221 HydrophobicContact CD1-CG2 4.22Å; L209-T221 HydrophobicContact CD2-CG2 4.05Å; Y217-T221 HydrophobicContact CD1-CG2 4.07Å; Y217-T221 HydrophobicContact CD2-CG2 4.44Å; Y217-T221 HydrophobicContact CE1-CG2 3.77Å; Y217-T221 HydrophobicContact CE2-CG2 4.18Å; Y217-T221 HydrophobicContact CG-CG2 4.38Å; Y217-T221 VanDerWaalsContact O-CB 3.31Å; Y217-T221 WeakPolarHBondContact O-CB 3.39Å; Y217-T221 WeakPolarHBondContact O-CG2 3.35Å; Y217-T221 PolarHBondContact O-N 3.43Å; Y217-T221 PolarHBondContact O-OG1 2.88Å; K218-T221 PolarHBondContact O-OG1 2.86Å; K218-T221 VanDerWaalsContact O-OG1 3.11Å; T221-M224 PolarHBondContact O-N 3.29Å; T221-Q225 WeakPolarHBondContact O-CB 3.17Å; T221-Q225 PolarHBondContact O-N 3.03Å
222L96.7Very high94.3Very high108 Ų10872.5 Ų72.557%0.56536%0.358SS*.Hα-helixtrans-61.6-43173.1178.962.4000111.7K218 D219 S220 Q225 L226K218-L222 PolarHBondContact O-N 3.41Å; D219-L222 PolarHBondContact O-N 3.42Å; S220-L222 VanDerWaalsContact C-N 3.33Å; S220-L222 PolarHBondContact O-N 3.33Å; L222-Q225 WeakPolarHBondContact O-CB 3.38Å; L222-Q225 PolarHBondContact O-N 3.19Å; L222-L226 WeakPolarHBondContact O-CG 3.45Å; L222-L226 PolarHBondContact O-N 3.38Å
223I97.7Very high94.5Very high29 Ų2975.5 Ų75.515%0.14937%0.373CS..Hα-helixtrans-71.6-40.4179.2-60.1167.5000111.1P171 L174 L178 D219 S220 Q225 L226 L227P171-I223 HydrophobicContact CB-CD1 4.02Å; P171-I223 VanDerWaalsContact O-CD1 3.23Å; P171-I223 WeakPolarHBondContact O-CD1 3.48Å; L174-I223 HydrophobicContact CB-CB 4.17Å; L174-I223 HydrophobicContact CB-CD1 4.42Å; L174-I223 HydrophobicContact CB-CG2 3.66Å; L178-I223 HydrophobicContact CB-CG2 4.32Å; L178-I223 HydrophobicContact CD2-CG2 4.27Å; D219-I223 WeakPolarHBondContact O-CG1 3.46Å; D219-I223 PolarHBondContact O-N 3.41Å; S220-I223 PolarHBondContact O-N 3.18Å; I223-Q225 VanDerWaalsContact C-N 3.26Å; I223-Q225 PolarHBondContact O-N 3.44Å; I223-L226 WeakPolarHBondContact O-CB 3.42Å; I223-L226 PolarHBondContact O-N 2.98Å; I223-L226 VanDerWaalsContact O-N 3.12Å; I223-L227 PolarHBondContact O-N 3.09Å
224M97.7Very high94.9Very high8 Ų871.3 Ų71.34%0.03935%0.35CS..Hα-helixtrans-60.5-37174.6-70.5171.573.400112L174 F202 A205 I206 L209 S220 T221 L227 R228L174-M224 HydrophobicContact CD1-CG 3.95Å; L174-M224 HydrophobicContact CD1-SD 4.38Å; L174-M224 HydrophobicContact CD2-CG 4.03Å; F202-M224 HydrophobicContact CD2-CB 3.99Å; F202-M224 HydrophobicContact CD2-CE 4.29Å; F202-M224 HydrophobicContact CD2-CG 4.46Å; F202-M224 WeakPolarHBondContact CD2-O 3.32Å; F202-M224 HydrophobicContact CE2-CB 3.98Å; F202-M224 HydrophobicContact CE2-CE 4.31Å; F202-M224 WeakPolarHBondContact CE2-O 3.43Å; A205-M224 HydrophobicContact CB-CE 3.91Å; A205-M224 HydrophobicContact CB-CG 4.39Å; A205-M224 HydrophobicContact CB-SD 3.9Å; I206-M224 HydrophobicContact CB-CE 4.36Å; I206-M224 HydrophobicContact CD1-CE 4.44Å; I206-M224 HydrophobicContact CG1-CE 3.42Å; I206-M224 VanDerWaalsContact CG1-CE 3.42Å; L209-M224 HydrophobicContact CD1-SD 3.78Å; L209-M224 HydrophobicContact CD2-CE 4.3Å; L209-M224 HydrophobicContact CD2-SD 4.35Å; S220-M224 WeakPolarHBondContact O-CB 3.49Å; S220-M224 VanDerWaalsContact O-CG 3.24Å; S220-M224 WeakPolarHBondContact O-CG 3.2Å; S220-M224 PolarHBondContact O-N 2.59Å; T221-M224 PolarHBondContact O-N 3.29Å; M224-L227 WeakPolarHBondContact O-CB 3.49Å; M224-L227 PolarHBondContact O-N 3.39Å; M224-R228 PolarHBondContact O-N 3.38Å
225Q97.9Very high95.1Very high63 Ų6366.6 Ų66.629%0.29433%0.334SS..Hα-helixtrans-60.5-45.5173.1177.654.443.600111.5T221 L222 I223 L227 R228 D229T221-Q225 WeakPolarHBondContact O-CB 3.17Å; T221-Q225 PolarHBondContact O-N 3.03Å; L222-Q225 WeakPolarHBondContact O-CB 3.38Å; L222-Q225 PolarHBondContact O-N 3.19Å; I223-Q225 VanDerWaalsContact C-N 3.26Å; I223-Q225 PolarHBondContact O-N 3.44Å; Q225-L227 PolarHBondContact O-N 3.11Å; Q225-R228 WeakPolarHBondContact O-CB 3.25Å; Q225-R228 PolarHBondContact O-N 2.89Å; Q225-D229 PolarHBondContact NE2-OD1 2.88Å; Q225-D229 PolarHBondContact NE2-OD2 3.5Å; Q225-D229 PolarHBondContact O-N 3.46Å
226L98.2Very high95.3Very high78 Ų7863.6 Ų63.641%0.40833%0.33SS..Hα-helixtrans-63.5-40.1176.2-64.7172.2000112.5L178 L222 I223 D229 N230L178-L226 HydrophobicContact CD1-CB 3.95Å; L178-L226 HydrophobicContact CD2-CB 3.97Å; L178-L226 HydrophobicContact CD2-CD1 3.88Å; L222-L226 WeakPolarHBondContact O-CG 3.45Å; L222-L226 PolarHBondContact O-N 3.38Å; I223-L226 WeakPolarHBondContact O-CB 3.42Å; I223-L226 PolarHBondContact O-N 2.98Å; I223-L226 VanDerWaalsContact O-N 3.12Å; L226-D229 PolarHBondContact O-N 3.27Å; L226-N230 PolarHBondContact O-N 2.96Å
227L98.1Very high95.2Very high0 Ų066 Ų660%034%0.34CS..Hα-helixtrans-58.8-46.5173.9-78167.8000111.3L174 L178 A198 A201 F202 I223 M224 Q225 D229 N230 L231L174-L227 HydrophobicContact CD2-CD1 4.01Å; L178-L227 HydrophobicContact CB-CD2 3.94Å; L178-L227 HydrophobicContact CB-CG 4.25Å; L178-L227 HydrophobicContact CD1-CD2 3.96Å; L178-L227 HydrophobicContact CD1-CG 4.12Å; A198-L227 HydrophobicContact CB-CD2 3.81Å; A201-L227 HydrophobicContact CB-CD1 4.41Å; F202-L227 HydrophobicContact CD2-CB 4.47Å; I223-L227 PolarHBondContact O-N 3.09Å; M224-L227 WeakPolarHBondContact O-CB 3.49Å; M224-L227 PolarHBondContact O-N 3.39Å; Q225-L227 PolarHBondContact O-N 3.11Å; L227-D229 VanDerWaalsContact C-N 3.35Å; L227-D229 PolarHBondContact O-N 2.87Å; L227-N230 PolarHBondContact O-N 3.33Å; L227-L231 WeakPolarHBondContact O-CG 3.2Å; L227-L231 PolarHBondContact O-N 2.99Å
228R97.3Very high94.9Very high118 Ų11863.2 Ų63.245%0.44533%0.332SS..Hα-helixtrans-62.2-40.9177.7-171.1-172.374.3-169.44.8112.6F202 M224 Q225 L231 T232F202-R228 HydrophobicContact CE2-CB 3.97Å; F202-R228 HydrophobicContact CZ-CB 4.32Å; F202-R228 HydrophobicContact CZ-CG 4.44Å; M224-R228 PolarHBondContact O-N 3.38Å; Q225-R228 WeakPolarHBondContact O-CB 3.25Å; Q225-R228 PolarHBondContact O-N 2.89Å; R228-L231 PolarHBondContact O-N 2.82Å; R228-T232 PolarHBondContact O-N 2.86Å; R228-T232 PolarHBondContact O-OG1 3.33Å
229D97.4Very high94.1Very high71 Ų7160.3 Ų60.338%0.3833%0.329SS..Hα-helixtrans-66.9-41.3-179.8-65.3-14.6000110.6Q225 L226 L227 T232 L233Q225-D229 PolarHBondContact NE2-OD1 2.88Å; Q225-D229 PolarHBondContact NE2-OD2 3.5Å; Q225-D229 PolarHBondContact O-N 3.46Å; L226-D229 PolarHBondContact O-N 3.27Å; L227-D229 VanDerWaalsContact C-N 3.35Å; L227-D229 PolarHBondContact O-N 2.87Å; D229-T232 WeakPolarHBondContact O-CB 3.28Å; D229-T232 PolarHBondContact O-N 2.88Å; D229-L233 PolarHBondContact O-N 3.49Å; D229-L233 VanDerWaalsContact O-N 3.08Å
230N96.2Very high93.1Very high34 Ų3465.8 Ų65.818%0.18235%0.352CS..Hα-helixtrans-61.7-44.1172.4-78-3.8000112.6L178 L226 L227 T232 L233 W234L178-N230 VanDerWaalsContact CD1-ND2 3.27Å; L178-N230 WeakPolarHBondContact CD1-ND2 3.31Å; L226-N230 PolarHBondContact O-N 2.96Å; L227-N230 PolarHBondContact O-N 3.33Å; N230-T232 VanDerWaalsContact C-N 3.26Å; N230-T232 PolarHBondContact O-N 2.94Å; N230-L233 PolarHBondContact O-N 3.47Å; N230-L233 VanDerWaalsContact O-N 3.15Å; N230-W234 HydrophobicContact CB-CD2 4.15Å; N230-W234 HydrophobicContact CB-CE3 3.93Å; N230-W234 HydrophobicContact CB-CH2 3.62Å; N230-W234 HydrophobicContact CB-CZ2 3.83Å; N230-W234 HydrophobicContact CB-CZ3 3.65Å; N230-W234 VanDerWaalsContact ND2-CH2 3.29Å; N230-W234 WeakPolarHBondContact ND2-CH2 3.39Å; N230-W234 WeakPolarHBondContact O-CB 3.48Å; N230-W234 VanDerWaalsContact O-CG 3.25Å; N230-W234 PolarHBondContact O-N 3.02Å
231L96.3Very high91.3Very high25 Ų2573 Ų7313%0.13139%0.39CS..Hα-helixtrans-57.3-42.1176-76.3169.1000111.8C195 A198 K199 L227 R228 L233 T235C195-L231 HydrophobicContact CB-CD2 3.99Å; C195-L231 VanDerWaalsContact O-CD2 3.29Å; C195-L231 WeakPolarHBondContact O-CD2 3.33Å; A198-L231 HydrophobicContact CB-CD1 4.42Å; A198-L231 HydrophobicContact CB-CD2 3.81Å; A198-L231 HydrophobicContact CB-CG 3.93Å; K199-L231 HydrophobicContact CB-CD1 4.18Å; K199-L231 HydrophobicContact CB-CD2 4.03Å; L227-L231 WeakPolarHBondContact O-CG 3.2Å; L227-L231 PolarHBondContact O-N 2.99Å; R228-L231 PolarHBondContact O-N 2.82Å; L231-L233 VanDerWaalsContact C-N 3.34Å; L231-T235 VanDerWaalsContact O-CB 3.28Å; L231-T235 WeakPolarHBondContact O-CB 3.44Å; L231-T235 PolarHBondContact O-N 2.9Å; L231-T235 PolarHBondContact O-OG1 3.06Å
232T95.2Very high88.8Confident104 Ų10474.1 Ų74.164%0.63841%0.411SS*.Hα-helixtrans-64.1-41.6178.2-58.90000111.2R228 D229 N230R228-T232 PolarHBondContact O-N 2.86Å; R228-T232 PolarHBondContact O-OG1 3.33Å; D229-T232 WeakPolarHBondContact O-CB 3.28Å; D229-T232 PolarHBondContact O-N 2.88Å; N230-T232 VanDerWaalsContact C-N 3.26Å; N230-T232 PolarHBondContact O-N 2.94Å
233L94Very high86.1Confident104 Ų10478.1 Ų78.155%0.54543%0.427SS..Hα-helixtrans-69-42.6179.8-17864000112.6D229 N230 L231 S236D229-L233 PolarHBondContact O-N 3.49Å; D229-L233 VanDerWaalsContact O-N 3.08Å; N230-L233 PolarHBondContact O-N 3.47Å; N230-L233 VanDerWaalsContact O-N 3.15Å; L231-L233 VanDerWaalsContact C-N 3.34Å; L233-S236 PolarHBondContact O-OG 3.34Å
234W96.2Very high83.2Confident8 Ų883.5 Ų83.53%0.0346%0.456CS..Hα-helixtrans-88.2-22.6-170.9-57.2-27.2000113.7V182 Y185 A194 N230 S236 D237V182-W234 HydrophobicContact CB-CH2 4.33Å; V182-W234 HydrophobicContact CG2-CH2 3.7Å; V182-W234 HydrophobicContact CG2-CZ2 3.91Å; Y185-W234 AromaticContact CD1-CD1 3.83Å; Y185-W234 HydrophobicContact CD1-CD2 4.47Å; Y185-W234 AromaticContact CD1-CE2 3.79Å; Y185-W234 HydrophobicContact CD1-CG 4.48Å; Y185-W234 HydrophobicContact CD1-CZ2 4.25Å; Y185-W234 AromaticContact CD1-NE1 3.34Å; Y185-W234 VanDerWaalsContact CD1-NE1 3.34Å; Y185-W234 HydrophobicContact CD2-CB 3.96Å; Y185-W234 AromaticContact CD2-CD1 3.44Å; Y185-W234 VanDerWaalsContact CD2-CD1 3.44Å; Y185-W234 AromaticContact CD2-CD2 3.86Å; Y185-W234 HydrophobicContact CD2-CD2 3.86Å; Y185-W234 AromaticContact CD2-CG 3.49Å; Y185-W234 HydrophobicContact CD2-CG 3.49Å; Y185-W234 VanDerWaalsContact CD2-CG 3.49Å; Y185-W234 AromaticContact CD2-NE1 3.76Å; Y185-W234 AromaticContact CE1-CD1 3.6Å; Y185-W234 AromaticContact CE1-NE1 3.38Å; Y185-W234 HydrophobicContact CE2-CB 3.9Å; Y185-W234 AromaticContact CE2-CD1 3.19Å; Y185-W234 HydrophobicContact CE2-CD2 4.37Å; Y185-W234 AromaticContact CE2-CG 3.57Å; Y185-W234 HydrophobicContact CE2-CG 3.57Å; Y185-W234 AromaticContact CE2-NE1 3.8Å; Y185-W234 AromaticContact CG-CD1 3.76Å; Y185-W234 AromaticContact CG-CD2 3.92Å; Y185-W234 HydrophobicContact CG-CD2 3.92Å; Y185-W234 AromaticContact CG-CE2 3.64Å; Y185-W234 AromaticContact CG-CG 3.98Å; Y185-W234 HydrophobicContact CG-CG 3.98Å; Y185-W234 HydrophobicContact CG-CZ2 4.18Å; Y185-W234 AromaticContact CG-NE1 3.54Å; Y185-W234 AromaticContact CZ-CD1 3.27Å; Y185-W234 AromaticContact CZ-NE1 3.61Å; A194-W234 HydrophobicContact CB-CE3 3.88Å; A194-W234 HydrophobicContact CB-CZ3 3.99Å; N230-W234 HydrophobicContact CB-CD2 4.15Å; N230-W234 HydrophobicContact CB-CE3 3.93Å; N230-W234 HydrophobicContact CB-CH2 3.62Å; N230-W234 HydrophobicContact CB-CZ2 3.83Å; N230-W234 HydrophobicContact CB-CZ3 3.65Å; N230-W234 VanDerWaalsContact ND2-CH2 3.29Å; N230-W234 WeakPolarHBondContact ND2-CH2 3.39Å; N230-W234 WeakPolarHBondContact O-CB 3.48Å; N230-W234 VanDerWaalsContact O-CG 3.25Å; N230-W234 PolarHBondContact O-N 3.02Å; W234-S236 PolarHBondContact O-N 3.29Å; W234-D237 PolarHBondContact O-N 2.7Å; W234-D237 VanDerWaalsContact O-N 3.11Å
235T92.9Very high80.3Confident79 Ų7987.7 Ų87.749%0.48549%0.492SS..Hα-helixtrans-63.9-29.4178-59.50000111.8L231 D237 I238L231-T235 VanDerWaalsContact O-CB 3.28Å; L231-T235 WeakPolarHBondContact O-CB 3.44Å; L231-T235 PolarHBondContact O-N 2.9Å; L231-T235 PolarHBondContact O-OG1 3.06Å; T235-D237 PolarHBondContact O-N 3.24Å; T235-I238 PolarHBondContact O-N 3.26Å
236S90Very high77.1Confident91 Ų9193.3 Ų93.364%0.63652%0.518SS*.THydrogen-bonded Turntrans-68.6-17.8176.158.10000114.3L233 W234L233-S236 PolarHBondContact O-OG 3.34Å; W234-S236 PolarHBondContact O-N 3.29Å
237D87.6Confident74.1Confident81 Ų8198.8 Ų98.843%0.43354%0.538SS..THydrogen-bonded Turntrans-89.9-11.9-180-64.4-16.6000112.4Y185 W234 T235 P239Y185-D237 WeakPolarHBondContact CE2-OD2 3.41Å; Y185-D237 PolarHBondContact OH-OD2 2.7Å; W234-D237 PolarHBondContact O-N 2.7Å; W234-D237 VanDerWaalsContact O-N 3.11Å; T235-D237 PolarHBondContact O-N 3.24Å; D237-P239 WeakPolarHBondContact O-CD 3.45Å
238I84.4Confident71.1Confident51 Ų51104.8 Ų104.826%0.26258%0.575SS.*SBendtrans-78.2119.8174.1-57.2174.1000106.7P191 E192 C195 T235 E240P191-I238 HydrophobicContact CB-CG1 4.15Å; P191-I238 HydrophobicContact CG-CG1 4.42Å; E192-I238 HydrophobicContact CG-CD1 4.41Å; E192-I238 HydrophobicContact CG-CG1 4.34Å; E192-I238 HydrophobicContact CG-CG2 4.15Å; C195-I238 HydrophobicContact CB-CD1 4.22Å; T235-I238 PolarHBondContact O-N 3.26Å; I238-E240 PolarHBondContact O-N 3.26Å
239P77.6Confident68Low92 Ų92106.2 Ų106.260%0.59759%0.591SS**  trans-55.7126.8174.1-21.332.3000109.5D237 D241D237-P239 WeakPolarHBondContact O-CD 3.45Å; P239-D241 VanDerWaalsContact C-N 3.31Å; P239-D241 PolarHBondContact O-N 3.07Å
240E71.6Confident64.9Low194 Ų194106.5 Ų106.591%0.90761%0.611SS**  trans-61.199.3164.8-72.3-179171.700106.7I238 G242I238-E240 PolarHBondContact O-N 3.26Å; E240-G242 PolarHBondContact O-N 2.68Å
241D58.9Low62.1Low150 Ų150111.6 Ų111.680%0.80264%0.643SS**  trans-56.4111.3168.1-88.5-29.5000106.7P239 E243P239-D241 VanDerWaalsContact C-N 3.31Å; P239-D241 PolarHBondContact O-N 3.07Å; D241-E243 PolarHBondContact O-N 3.11Å
242G43.4Very low59Low68 Ų68114.7 Ų114.770%0.70167%0.673SS**  trans-56.592.7-167.800000114E240 D244E240-G242 PolarHBondContact O-N 2.68Å; G242-D244 PolarHBondContact O-N 3.2Å; G242-D244 VanDerWaalsContact O-N 3.08Å
243E39.9Very low56.1Low192 Ų192119.7 Ų119.790%0.89769%0.686SS**THydrogen-bonded Turntrans-7964.8159.9-72.9-166.2160.100110.1D241D241-E243 PolarHBondContact O-N 3.11Å
244D36.9Very low53.2Low143 Ų143123.4 Ų123.477%0.76571%0.705SS**THydrogen-bonded Turntrans-148.826.4160.2-109-21.6000113.1G242G242-D244 PolarHBondContact O-N 3.2Å; G242-D244 VanDerWaalsContact O-N 3.08Å
245A35.9Very low50.2Low95 Ų95126.7 Ų126.779%0.78574%0.742SS**SBendtrans-10129.5169.500000113
246Q31.4Very low47.3Very low181 Ų181126.7 Ų126.785%0.84676%0.757SS**  trans-139.858.4166-71.6-169.11.500112.6
247K34.8Very low44.7Very low193 Ų193126.3 Ų126.384%0.83977%0.768SS**  trans-114.481.7146-79-172.8-176.3168.40110.1N249K247-N249 PolarHBondContact O-N 3.39Å
248V34.7Very low42.2Very low126 Ų126130.9 Ų130.976%0.76479%0.786SS**  trans-18.6117.5158-179.60000114.2
249N32.7Very low39.5Very low148 Ų148135.7 Ų135.779%0.79181%0.813SS**  trans27.296.1140.2-67.1-17.6000117.9K247K247-N249 PolarHBondContact O-N 3.39Å
250G33.5Very low37.4Very low77 Ų77135.8 Ų135.879%0.79482%0.821SS**  trans-129.755156.700000110.7A252G250-A252 VanDerWaalsContact C-N 3.31Å; G250-A252 PolarHBondContact O-N 3.18Å
251T35.6Very low35.8Very low141 Ų141139.7 Ų139.787%0.86584%0.839SS**  trans-63.591170.729.50000110.1
252A31.7Very low34.7Very low91 Ų91139.2 Ų139.275%0.75284%0.841SS**  trans-104.398.5158.300000108.1G250G250-A252 VanDerWaalsContact C-N 3.31Å; G250-A252 PolarHBondContact O-N 3.18Å
253K35.2Very low34.2Very low209 Ų209142.9 Ų142.991%0.90985%0.849SS**  trans-138101155.5-88-164.1176.1179.80109.9G255K253-G255 PolarHBondContact O-N 3.28Å
254L32.3Very low33.9Very low181 Ų181140.2 Ų140.295%0.94885%0.846SS**  trans-48.4114.9158-68.1149.8000109.2
255G33.1Very low33.7Very low78 Ų78140 Ų14080%0.80485%0.851SS**  trans-85.1111.4164.600000108.6K253K253-G255 PolarHBondContact O-N 3.28Å
256G31.7Very low33.6Very low78 Ų78142.8 Ų142.880%0.80486%0.855SS**  trans-63.9132.1167.500000110
257G34.8Very low33.7Very low83 Ų83140.3 Ų140.386%0.85686%0.855SS**  trans-84.1111.3163.700000108.3
258E36.1Very low33.7Very low177 Ų177136.5 Ų136.583%0.82786%0.856SS**  trans-84.2131.7161.4-75.4175.4154.200108.7
259D28Very low33.6Very low153 Ų153137.3 Ų137.382%0.81886%0.864SS**  trans43.1118.4133.7-56.2-26.6000120
260A34.3Very low33.7Very low93 Ų93136.4 Ų136.477%0.76987%0.87SS**  -171.8122.3122.100000111
261E37.7Very low33.7Very low276 Ų276141.8 Ų141.8100%1.2988%0.876SS**  trans62.40153.7-62.5-176.9158.300120.2

Retrieved 261 of 261 residues in 442.9 ms (Link to these results)

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