A0A087YG08_POEFO Loading...

Transmembrane ascorbate-dependent reductase CYB561

Transmembrane reductase that uses ascorbate as an electron donor in the cytoplasm and transfers electrons across membranes to reduce monodehydro-L-ascorbate radical in the lumen of secretory vesicles. It is therefore involved the regeneration and homeostasis within secretory vesicles of ascorbate which in turn provides reducing equivalents needed to support the activity of intravesicular enzymes.

AlphaFold DB , UniProt , Accession A0A087YG08, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 252 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
1M35.2Very low49.7Very low240 Ų240130.1 Ų130.1100%1.18272%0.717SS**  092.70-133.6166.4-178.100104.4D3M1-D3 PolarHBondContact O-N 3.06Å
2D42.3Very low53.1Low150 Ų150125.8 Ų125.880%0.80270%0.697SS**  trans-70.9112.7-171.4-58.2-58.4000109.2L4D2-L4 VanDerWaalsContact C-N 3.28Å; D2-L4 PolarHBondContact O-N 3.32Å
3D39.9Very low56.1Low147 Ų147118.7 Ų118.779%0.78666%0.655SS**  trans-82.381.9172.1-161.67.1000108.7M1 S5M1-D3 PolarHBondContact O-N 3.06Å; D3-S5 PolarHBondContact O-N 3Å
4L45Very low58.7Low161 Ų161114.4 Ų114.484%0.84364%0.642SS**  trans-71.767.6166.3-80.6158.4000109.3D2D2-L4 VanDerWaalsContact C-N 3.28Å; D2-L4 PolarHBondContact O-N 3.32Å
5S37Very low61.2Low87 Ų87109.8 Ų109.861%0.60863%0.631SS**  trans-74.3130.4159.451.90000108.2D3 R7D3-S5 PolarHBondContact O-N 3Å; S5-R7 PolarHBondContact O-N 2.95Å
6P37.8Very low63.5Low94 Ų94105.6 Ų105.661%0.6161%0.605SS**  trans-66.4137.8-172.925.7-32.5000110.3H8P6-H8 WeakPolarHBondContact CB-ND1 3.42Å; P6-H8 WeakPolarHBondContact CG-ND1 3.43Å; P6-H8 PolarHBondContact O-N 2.68Å
7R51.2Low65.4Low235 Ų235100.5 Ų100.589%0.88758%0.577SS**  trans-54.540.7174.4-72.3170.4134177.3-3.9115.4S5 G9 G10S5-R7 PolarHBondContact O-N 2.95Å; R7-G9 VanDerWaalsContact C-N 3.29Å; R7-G9 PolarHBondContact O-N 3.35Å; R7-G10 PolarHBondContact O-N 3.15Å
8H43.4Very low67.2Low137 Ų13796.8 Ų96.863%0.63456%0.564SS**Hα-helixtrans-61.7-35.2-176.4-87.971.9000112.3P6 G10 V12P6-H8 WeakPolarHBondContact CB-ND1 3.42Å; P6-H8 WeakPolarHBondContact CG-ND1 3.43Å; P6-H8 PolarHBondContact O-N 2.68Å; H8-G10 VanDerWaalsContact C-N 3.32Å; H8-G10 PolarHBondContact O-N 3.02Å; H8-V12 WeakPolarHBondContact O-CG2 3.38Å; H8-V12 PolarHBondContact O-N 3.44Å
9G58.3Low68.8Low39 Ų3993.8 Ų93.840%0.40255%0.552SS.*Hα-helixtrans-63.4-33.9176.200000113.8R7 F13R7-G9 VanDerWaalsContact C-N 3.29Å; R7-G9 PolarHBondContact O-N 3.35Å; G9-F13 WeakPolarHBondContact O-CB 2.94Å; G9-F13 PolarHBondContact O-N 3.17Å
10G73.7Confident70.3Confident45 Ų4589.2 Ų89.246%0.46453%0.525SS..Hα-helixtrans-71.1-41-177.700000113.5R7 H8 A14R7-G10 PolarHBondContact O-N 3.15Å; H8-G10 VanDerWaalsContact C-N 3.32Å; H8-G10 PolarHBondContact O-N 3.02Å; G10-A14 WeakPolarHBondContact O-CB 3.49Å; G10-A14 PolarHBondContact O-N 3.39Å
11S82.5Confident71.6Confident96 Ų9688 Ų8867%0.67151%0.514SS*.Hα-helixtrans-71.4-39.5179.2-169.80000112.1G15S11-G15 PolarHBondContact O-N 3.32Å
12V90.8Very high74.6Confident79 Ų7981 Ų8148%0.47949%0.485SS..Hα-helixtrans-67.9-45.6177175.10000110.3H8 A14 G15 L16H8-V12 WeakPolarHBondContact O-CG2 3.38Å; H8-V12 PolarHBondContact O-N 3.44Å; V12-A14 PolarHBondContact O-N 2.85Å; V12-G15 PolarHBondContact O-N 2.98Å; V12-L16 HydrophobicContact CG1-CD1 3.98Å; V12-L16 HydrophobicContact CG1-CG 4.35Å; V12-L16 VanDerWaalsContact O-CG 3.32Å; V12-L16 WeakPolarHBondContact O-CG 3.26Å; V12-L16 PolarHBondContact O-N 3.28Å
13F91.9Very high77.3Confident33 Ų3375.8 Ų75.815%0.14546%0.456CS..Hα-helixtrans-56.7-49.8175.5175.5-111.2000112.1G9 G15 L16 V17 R74 V75 L219 Y225G9-F13 WeakPolarHBondContact O-CB 2.94Å; G9-F13 PolarHBondContact O-N 3.17Å; F13-G15 VanDerWaalsContact C-N 3.31Å; F13-G15 PolarHBondContact O-N 3.03Å; F13-L16 PolarHBondContact O-N 2.95Å; F13-V17 HydrophobicContact CD1-CG2 4.46Å; F13-V17 HydrophobicContact CD2-CG2 4.12Å; F13-V17 HydrophobicContact CE1-CG2 4.06Å; F13-V17 HydrophobicContact CE2-CG2 3.68Å; F13-V17 HydrophobicContact CG-CG2 4.5Å; F13-V17 HydrophobicContact CZ-CG2 3.65Å; F13-V17 WeakPolarHBondContact O-CG2 3.38Å; F13-V17 PolarHBondContact O-N 3.37Å; F13-R74 HydrophobicContact CE2-CB 4.24Å; F13-R74 HydrophobicContact CZ-CB 3.88Å; F13-V75 HydrophobicContact CZ-CG2 4.46Å; F13-L219 HydrophobicContact CD2-CD2 3.93Å; F13-L219 HydrophobicContact CE2-CD2 4Å; F13-Y225 HydrophobicContact CB-CD1 4.02Å; F13-Y225 HydrophobicContact CB-CE1 3.7Å; F13-Y225 AromaticContact CD2-CD1 3.63Å; F13-Y225 HydrophobicContact CD2-CD1 3.63Å; F13-Y225 AromaticContact CD2-CD2 3.56Å; F13-Y225 HydrophobicContact CD2-CD2 3.56Å; F13-Y225 AromaticContact CD2-CE1 3.95Å; F13-Y225 HydrophobicContact CD2-CE1 3.95Å; F13-Y225 AromaticContact CD2-CE2 3.88Å; F13-Y225 HydrophobicContact CD2-CE2 3.88Å; F13-Y225 AromaticContact CD2-CG 3.42Å; F13-Y225 HydrophobicContact CD2-CG 3.42Å; F13-Y225 VanDerWaalsContact CD2-CG 3.42Å; F13-Y225 HydrophobicContact CE2-CD1 4.38Å; F13-Y225 AromaticContact CE2-CD2 3.98Å; F13-Y225 HydrophobicContact CE2-CD2 3.98Å; F13-Y225 AromaticContact CE2-CG 3.82Å; F13-Y225 HydrophobicContact CE2-CG 3.82Å; F13-Y225 AromaticContact CG-CD1 3.99Å; F13-Y225 HydrophobicContact CG-CD1 3.99Å; F13-Y225 HydrophobicContact CG-CE1 4.16Å; F13-Y225 HydrophobicContact CG-CG 4.24Å
14A93.3Very high80Confident58 Ų5868.8 Ų68.848%0.47942%0.419SS..Hα-helixtrans-60.5-40.7178.200000112.2G10 V12 V17 G18G10-A14 WeakPolarHBondContact O-CB 3.49Å; G10-A14 PolarHBondContact O-N 3.39Å; V12-A14 PolarHBondContact O-N 2.85Å; A14-V17 PolarHBondContact O-N 3.01Å; A14-G18 PolarHBondContact O-N 3.38Å
15G96.3Very high82.6Confident46 Ų4665.9 Ų65.947%0.47440%0.404SS..Hα-helixtrans-62.4-42.8175.100000112.9S11 V12 F13 G18 A19S11-G15 PolarHBondContact O-N 3.32Å; V12-G15 PolarHBondContact O-N 2.98Å; F13-G15 VanDerWaalsContact C-N 3.31Å; F13-G15 PolarHBondContact O-N 3.03Å; G15-G18 PolarHBondContact O-N 3.02Å; G15-A19 WeakPolarHBondContact O-CB 3.32Å; G15-A19 PolarHBondContact O-N 3.09Å
16L96.9Very high85.5Confident42 Ų4264.6 Ų64.622%0.2239%0.392CS..Hα-helixtrans-68.5-39.4177.6-68.5172.8000112.5V12 F13 A19 S20 L215 Y218 L219V12-L16 HydrophobicContact CG1-CD1 3.98Å; V12-L16 HydrophobicContact CG1-CG 4.35Å; V12-L16 VanDerWaalsContact O-CG 3.32Å; V12-L16 WeakPolarHBondContact O-CG 3.26Å; V12-L16 PolarHBondContact O-N 3.28Å; F13-L16 PolarHBondContact O-N 2.95Å; L16-A19 PolarHBondContact O-N 3Å; L16-S20 PolarHBondContact O-N 3.32Å; L16-L215 HydrophobicContact CB-CD1 4.27Å; L16-L215 HydrophobicContact CD2-CD1 3.88Å; L16-Y218 HydrophobicContact CD1-CD1 4.24Å; L16-Y218 HydrophobicContact CD1-CE1 3.74Å; L16-L219 HydrophobicContact CB-CD2 3.79Å; L16-L219 HydrophobicContact CB-CG 4.46Å; L16-L219 HydrophobicContact CD1-CD2 4.25Å
17V96.6Very high88.4Confident19 Ų1960.1 Ų60.112%0.11536%0.364CS..Hα-helixtrans-64-45.1172.5172.10000110.1F13 A14 A19 S20 Q21 V75 L219F13-V17 HydrophobicContact CD1-CG2 4.46Å; F13-V17 HydrophobicContact CD2-CG2 4.12Å; F13-V17 HydrophobicContact CE1-CG2 4.06Å; F13-V17 HydrophobicContact CE2-CG2 3.68Å; F13-V17 HydrophobicContact CG-CG2 4.5Å; F13-V17 HydrophobicContact CZ-CG2 3.65Å; F13-V17 WeakPolarHBondContact O-CG2 3.38Å; F13-V17 PolarHBondContact O-N 3.37Å; A14-V17 PolarHBondContact O-N 3.01Å; V17-A19 VanDerWaalsContact C-N 3.29Å; V17-A19 PolarHBondContact O-N 2.94Å; V17-S20 PolarHBondContact O-N 3.43Å; V17-S20 VanDerWaalsContact O-N 3.12Å; V17-S20 PolarHBondContact O-OG 3.14Å; V17-Q21 WeakPolarHBondContact O-CG 3.14Å; V17-Q21 PolarHBondContact O-N 3.36Å; V17-V75 HydrophobicContact CG1-CG2 3.98Å; V17-V75 HydrophobicContact CG2-CG2 4.26Å; V17-L219 HydrophobicContact CG2-CD1 4.39Å; V17-L219 HydrophobicContact CG2-CD2 4.35Å
18G97.5Very high90.7Very high34 Ų3450 Ų5035%0.35133%0.328SS..Hα-helixtrans-57.5-43174.500000112.2A14 G15 S20 Q21 V22A14-G18 PolarHBondContact O-N 3.38Å; G15-G18 PolarHBondContact O-N 3.02Å; G18-S20 PolarHBondContact O-N 2.96Å; G18-Q21 PolarHBondContact O-N 3.41Å; G18-V22 WeakPolarHBondContact O-CG2 3.28Å; G18-V22 PolarHBondContact O-N 2.92Å
19A97.9Very high93.3Very high41 Ų4147.3 Ų47.334%0.33932%0.321SS..Hα-helixtrans-62.8-39.5175.100000112.5G15 L16 V17 Q21 V22 L23 L215G15-A19 WeakPolarHBondContact O-CB 3.32Å; G15-A19 PolarHBondContact O-N 3.09Å; L16-A19 PolarHBondContact O-N 3Å; V17-A19 VanDerWaalsContact C-N 3.29Å; V17-A19 PolarHBondContact O-N 2.94Å; A19-Q21 VanDerWaalsContact C-N 3.35Å; A19-V22 PolarHBondContact O-N 2.96Å; A19-L23 WeakPolarHBondContact O-CB 3.15Å; A19-L23 WeakPolarHBondContact O-CG 3.33Å; A19-L23 PolarHBondContact O-N 2.79Å; A19-L215 HydrophobicContact CB-CD2 4.09Å
20S97.8Very high95.2Very high0 Ų047.2 Ų47.20%031%0.311CS..Hα-helixtrans-65-40.517777.10000111.4L16 V17 G18 L23 G24 Y212L16-S20 PolarHBondContact O-N 3.32Å; V17-S20 PolarHBondContact O-N 3.43Å; V17-S20 VanDerWaalsContact O-N 3.12Å; V17-S20 PolarHBondContact O-OG 3.14Å; G18-S20 PolarHBondContact O-N 2.96Å; S20-L23 PolarHBondContact O-N 3.38Å; S20-G24 PolarHBondContact O-N 3.42Å; S20-Y212 WeakPolarHBondContact O-CD2 3.24Å; S20-Y212 VanDerWaalsContact O-CE2 3.24Å; S20-Y212 WeakPolarHBondContact O-CE2 3.43Å
21Q98.1Very high96.4Very high66 Ų6645.1 Ų45.131%0.30829%0.289SS..Hα-helixtrans-61.2-45.3175.2-64.3-52.2-5100112.1V17 G18 A19 L25 D68V17-Q21 WeakPolarHBondContact O-CG 3.14Å; V17-Q21 PolarHBondContact O-N 3.36Å; G18-Q21 PolarHBondContact O-N 3.41Å; A19-Q21 VanDerWaalsContact C-N 3.35Å; Q21-L25 VanDerWaalsContact O-CB 3.24Å; Q21-L25 WeakPolarHBondContact O-CB 3.48Å; Q21-L25 PolarHBondContact O-N 2.95Å; Q21-D68 PolarHBondContact NE2-OD1 3.41Å; Q21-D68 PolarHBondContact OE1-OD1 2.75Å
22V98.3Very high97.2Very high92 Ų9241.6 Ų41.656%0.55827%0.267SS*.Hα-helixtrans-63.1-48.3177.4172.50000111.1G18 A19 G24 L25 V26G18-V22 WeakPolarHBondContact O-CG2 3.28Å; G18-V22 PolarHBondContact O-N 2.92Å; A19-V22 PolarHBondContact O-N 2.96Å; V22-G24 PolarHBondContact O-N 3.39Å; V22-L25 PolarHBondContact O-N 3.48Å; V22-V26 HydrophobicContact CG1-CG2 4.25Å; V22-V26 WeakPolarHBondContact O-CB 3.28Å; V22-V26 WeakPolarHBondContact O-CG2 3.43Å; V22-V26 PolarHBondContact O-N 3.46Å
23L98.1Very high97.6Very high40 Ų4040.6 Ų40.621%0.20926%0.261CS..Hα-helixtrans-61-45.1179.4-74.1171.9000112.2A19 S20 S27 L208 F211 Y212 L215A19-L23 WeakPolarHBondContact O-CB 3.15Å; A19-L23 WeakPolarHBondContact O-CG 3.33Å; A19-L23 PolarHBondContact O-N 2.79Å; S20-L23 PolarHBondContact O-N 3.38Å; L23-S27 WeakPolarHBondContact O-CB 3.48Å; L23-S27 PolarHBondContact O-N 2.88Å; L23-S27 PolarHBondContact O-OG 2.98Å; L23-L208 HydrophobicContact CD2-CD2 3.64Å; L23-F211 HydrophobicContact CD1-CB 4.49Å; L23-Y212 HydrophobicContact CB-CD2 4.13Å; L23-L215 HydrophobicContact CD1-CD2 3.91Å
24G98.1Very high97.9Very high1 Ų139.1 Ų39.11%0.0126%0.255CS..Hα-helixtrans-63.2-49178.200000112.2S20 V22 V26 S27 V28S20-G24 PolarHBondContact O-N 3.42Å; V22-G24 PolarHBondContact O-N 3.39Å; G24-V26 PolarHBondContact O-N 3.13Å; G24-S27 WeakPolarHBondContact O-CB 3.35Å; G24-S27 PolarHBondContact O-N 3.38Å; G24-S27 VanDerWaalsContact O-N 3.15Å; G24-V28 PolarHBondContact O-N 2.95Å
25L98.3Very high98.1Very high99 Ų9936.4 Ų36.452%0.51823%0.232SC..Hα-helixtrans-63.3-44.1179.2-175.862.2000112Q21 V22 S27 V28 V29Q21-L25 VanDerWaalsContact O-CB 3.24Å; Q21-L25 WeakPolarHBondContact O-CB 3.48Å; Q21-L25 PolarHBondContact O-N 2.95Å; V22-L25 PolarHBondContact O-N 3.48Å; L25-S27 VanDerWaalsContact C-N 3.26Å; L25-S27 PolarHBondContact O-N 3.2Å; L25-V28 PolarHBondContact O-N 3.15Å; L25-V29 WeakPolarHBondContact O-CG2 3.41Å; L25-V29 PolarHBondContact O-N 3.01Å
26V98.6Very high98.2Very high60 Ų6035.4 Ų35.436%0.36422%0.222SC..Hα-helixtrans-60-39.6175.1170.90000110.5V22 G24 V28 V29 L30 L208V22-V26 HydrophobicContact CG1-CG2 4.25Å; V22-V26 WeakPolarHBondContact O-CB 3.28Å; V22-V26 WeakPolarHBondContact O-CG2 3.43Å; V22-V26 PolarHBondContact O-N 3.46Å; G24-V26 PolarHBondContact O-N 3.13Å; V26-V28 PolarHBondContact O-N 3.16Å; V26-V29 PolarHBondContact O-N 3.28Å; V26-L30 HydrophobicContact CG1-CD1 3.91Å; V26-L30 HydrophobicContact CG1-CG 4.08Å; V26-L30 WeakPolarHBondContact O-CB 3.34Å; V26-L30 VanDerWaalsContact O-CG 3.3Å; V26-L30 WeakPolarHBondContact O-CG 3.43Å; V26-L30 PolarHBondContact O-N 3.37Å; V26-L208 HydrophobicContact CG1-CD1 3.91Å
27S98.8Very high98.2Very high1 Ų140.2 Ų40.21%0.00724%0.243CC..Hα-helixtrans-63.1-42.3177.2-58.10000112.4L23 G24 L25 T31 L205L23-S27 WeakPolarHBondContact O-CB 3.48Å; L23-S27 PolarHBondContact O-N 2.88Å; L23-S27 PolarHBondContact O-OG 2.98Å; G24-S27 WeakPolarHBondContact O-CB 3.35Å; G24-S27 PolarHBondContact O-N 3.38Å; G24-S27 VanDerWaalsContact O-N 3.15Å; L25-S27 VanDerWaalsContact C-N 3.26Å; L25-S27 PolarHBondContact O-N 3.2Å; S27-T31 WeakPolarHBondContact O-CB 3.4Å; S27-T31 PolarHBondContact O-N 3.07Å; S27-T31 PolarHBondContact O-OG1 3.23Å; S27-L205 VanDerWaalsContact O-CD1 3.29Å; S27-L205 WeakPolarHBondContact O-CD1 3.32Å
28V98.8Very high98.3Very high22 Ų2243.4 Ų43.413%0.13325%0.254CS..Hα-helixtrans-62.4-47.2174175.90000110.6G24 L25 V26 L30 T31 G32 L56 V59 L60 F64G24-V28 PolarHBondContact O-N 2.95Å; L25-V28 PolarHBondContact O-N 3.15Å; V26-V28 PolarHBondContact O-N 3.16Å; V28-L30 PolarHBondContact O-N 3.47Å; V28-T31 WeakPolarHBondContact O-CB 3.38Å; V28-T31 PolarHBondContact O-N 2.93Å; V28-G32 PolarHBondContact O-N 3.39Å; V28-L56 HydrophobicContact CG1-CD1 4.25Å; V28-V59 HydrophobicContact CG2-CG1 4.07Å; V28-L60 HydrophobicContact CG1-CD1 4.37Å; V28-L60 HydrophobicContact CG2-CD1 4.25Å; V28-F64 HydrophobicContact CG2-CB 3.9Å; V28-F64 HydrophobicContact CG2-CD1 4.14Å; V28-F64 HydrophobicContact CG2-CG 4.11Å
29V98.6Very high98.3Very high81 Ų8143.9 Ų43.949%0.49125%0.245SC..Hα-helixtrans-61.7-46179.3170.80000111.3L25 V26 T31 G32 V33L25-V29 WeakPolarHBondContact O-CG2 3.41Å; L25-V29 PolarHBondContact O-N 3.01Å; V26-V29 PolarHBondContact O-N 3.28Å; V29-T31 VanDerWaalsContact C-N 3.31Å; V29-T31 PolarHBondContact O-N 3.24Å; V29-G32 CarbonylContact O-C 3.54Å; V29-G32 WeakPolarHBondContact O-CA 3.32Å; V29-G32 PolarHBondContact O-N 2.86Å; V29-G32 VanDerWaalsContact O-N 3.13Å; V29-V33 HydrophobicContact CG1-CG2 4.34Å; V29-V33 WeakPolarHBondContact O-CG2 3.45Å; V29-V33 PolarHBondContact O-N 3.46Å
30L98.7Very high98.2Very high37 Ų3744.4 Ų44.419%0.19425%0.254CS..Hα-helixtrans-63.5-37.4177.9-72.4-179.4000111.9V26 V28 G32 V33 W34 L201 L205 L208V26-L30 HydrophobicContact CG1-CD1 3.91Å; V26-L30 HydrophobicContact CG1-CG 4.08Å; V26-L30 WeakPolarHBondContact O-CB 3.34Å; V26-L30 VanDerWaalsContact O-CG 3.3Å; V26-L30 WeakPolarHBondContact O-CG 3.43Å; V26-L30 PolarHBondContact O-N 3.37Å; V28-L30 PolarHBondContact O-N 3.47Å; L30-G32 VanDerWaalsContact C-N 3.33Å; L30-V33 PolarHBondContact O-N 2.89Å; L30-W34 VanDerWaalsContact O-CB 3.26Å; L30-W34 WeakPolarHBondContact O-CB 3.27Å; L30-W34 PolarHBondContact O-N 3.3Å; L30-L201 HydrophobicContact CD2-CD1 4.12Å; L30-L201 HydrophobicContact CD2-CG 4.44Å; L30-L205 HydrophobicContact CB-CD1 4.34Å; L30-L208 HydrophobicContact CD1-CD1 3.39Å
31T98.8Very high98.1Very high1 Ų145.1 Ų45.11%0.00626%0.262CS..Hα-helixtrans-63.3-42.5173.2-520000110.9S27 V28 V29 W34 M35 P55 L56 V59 L205S27-T31 WeakPolarHBondContact O-CB 3.4Å; S27-T31 PolarHBondContact O-N 3.07Å; S27-T31 PolarHBondContact O-OG1 3.23Å; V28-T31 WeakPolarHBondContact O-CB 3.38Å; V28-T31 PolarHBondContact O-N 2.93Å; V29-T31 VanDerWaalsContact C-N 3.31Å; V29-T31 PolarHBondContact O-N 3.24Å; T31-W34 PolarHBondContact O-N 2.9Å; T31-M35 WeakPolarHBondContact O-CB 3.36Å; T31-M35 WeakPolarHBondContact O-CG 3.45Å; T31-M35 PolarHBondContact O-N 3.3Å; T31-P55 HydrophobicContact CG2-CB 4.12Å; T31-L56 HydrophobicContact CG2-CB 4.31Å; T31-L56 HydrophobicContact CG2-CD1 4.43Å; T31-V59 HydrophobicContact CG2-CB 4.47Å; T31-V59 HydrophobicContact CG2-CG2 4.25Å; T31-L205 VanDerWaalsContact OG1-CD2 3.29Å; T31-L205 WeakPolarHBondContact OG1-CD2 3.34Å
32G98.5Very high98.2Very high21 Ų2146 Ų4622%0.21627%0.265CS..Hα-helixtrans-62.9-42.3174.600000113.2V28 V29 L30 G36V28-G32 PolarHBondContact O-N 3.39Å; V29-G32 CarbonylContact O-C 3.54Å; V29-G32 WeakPolarHBondContact O-CA 3.32Å; V29-G32 PolarHBondContact O-N 2.86Å; V29-G32 VanDerWaalsContact O-N 3.13Å; L30-G32 VanDerWaalsContact C-N 3.33Å; G32-G36 VanDerWaalsContact O-CA 3.3Å; G32-G36 WeakPolarHBondContact O-CA 3.16Å; G32-G36 PolarHBondContact O-N 3.3Å
33V98.6Very high98.1Very high58 Ų5843.1 Ų43.135%0.35225%0.251SS..Hα-helixtrans-65.8-43.3174.3170.50000110.6V29 L30 H37 Y38 L201V29-V33 HydrophobicContact CG1-CG2 4.34Å; V29-V33 WeakPolarHBondContact O-CG2 3.45Å; V29-V33 PolarHBondContact O-N 3.46Å; L30-V33 PolarHBondContact O-N 2.89Å; V33-H37 HydrophobicContact CG1-CB 4.38Å; V33-H37 WeakPolarHBondContact O-CA 3.37Å; V33-H37 VanDerWaalsContact O-CB 3.24Å; V33-H37 WeakPolarHBondContact O-CB 3.43Å; V33-H37 PolarHBondContact O-N 3.5Å; V33-Y38 HydrophobicContact CG1-CE2 4.47Å; V33-L201 HydrophobicContact CG1-CD1 4.19Å
34W98.7Very high98.1Very high3 Ų347.8 Ų47.81%0.01127%0.266CS..Iπ-helixtrans-58.1-54.3178.3-173.820.5000110.9L30 T31 Y38 R39 I180 K183 L184 E198 L201 A202 L205L30-W34 VanDerWaalsContact O-CB 3.26Å; L30-W34 WeakPolarHBondContact O-CB 3.27Å; L30-W34 PolarHBondContact O-N 3.3Å; T31-W34 PolarHBondContact O-N 2.9Å; W34-Y38 WeakPolarHBondContact O-CA 3.37Å; W34-Y38 VanDerWaalsContact O-CB 3.3Å; W34-Y38 WeakPolarHBondContact O-CB 3.31Å; W34-Y38 PolarHBondContact O-N 2.75Å; W34-Y38 VanDerWaalsContact O-N 3.14Å; W34-R39 PolarHBondContact O-N 3.31Å; W34-R39 VanDerWaalsContact O-N 3.15Å; W34-I180 HydrophobicContact CH2-CB 4.4Å; W34-I180 HydrophobicContact CH2-CG1 4.35Å; W34-I180 HydrophobicContact CH2-CG2 4.11Å; W34-I180 HydrophobicContact CZ3-CB 4.47Å; W34-I180 HydrophobicContact CZ3-CG1 3.94Å; W34-I180 HydrophobicContact CZ3-CG2 4.32Å; W34-K183 HydrophobicContact CH2-CB 4.06Å; W34-K183 HydrophobicContact CH2-CG 3.97Å; W34-K183 HydrophobicContact CZ2-CB 4.38Å; W34-K183 HydrophobicContact CZ2-CG 3.95Å; W34-L184 HydrophobicContact CH2-CG 4.47Å; W34-L184 HydrophobicContact CZ2-CD2 3.76Å; W34-L184 HydrophobicContact CZ2-CG 4.07Å; W34-E198 PolarHBondContact NE1-OE1 2.95Å; W34-L201 HydrophobicContact CB-CD2 3.57Å; W34-L201 HydrophobicContact CG-CD2 4Å; W34-A202 HydrophobicContact CD2-CB 4.01Å; W34-A202 HydrophobicContact CE3-CB 4.24Å; W34-A202 HydrophobicContact CH2-CB 4.08Å; W34-A202 HydrophobicContact CZ2-CB 3.82Å; W34-A202 HydrophobicContact CZ3-CB 4.29Å; W34-L205 HydrophobicContact CE3-CD2 4.05Å; W34-L205 HydrophobicContact CZ3-CD2 4.46Å
35M98.6Very high98.1Very high0 Ų052.7 Ų52.70%029%0.292CS..Iπ-helixtrans-73.5-38-178-69-55.1102.300113.2T31 R39 G40 G41 F42 N52 P55T31-M35 WeakPolarHBondContact O-CB 3.36Å; T31-M35 WeakPolarHBondContact O-CG 3.45Å; T31-M35 PolarHBondContact O-N 3.3Å; M35-R39 HydrophobicContact CE-CG 3.65Å; M35-R39 CarbonylContact O-C 3.53Å; M35-R39 VanDerWaalsContact O-C 3.32Å; M35-R39 WeakPolarHBondContact O-CA 3.37Å; M35-R39 WeakPolarHBondContact O-CB 3.44Å; M35-R39 PolarHBondContact O-N 3.28Å; M35-R39 HydrophobicContact SD-CB 4.34Å; M35-R39 HydrophobicContact SD-CG 4.01Å; M35-G40 PolarHBondContact O-N 3.17Å; M35-G41 PolarHBondContact O-N 2.6Å; M35-G41 VanDerWaalsContact O-N 3.15Å; M35-F42 HydrophobicContact CB-CE1 3.58Å; M35-F42 HydrophobicContact CB-CZ 3.52Å; M35-F42 HydrophobicContact CG-CE1 4.36Å; M35-N52 HydrophobicContact CB-CB 3.99Å; M35-N52 HydrophobicContact CG-CB 4.2Å; M35-N52 WeakPolarHBondContact CG-O 3.33Å; M35-N52 HydrophobicContact SD-CB 3.94Å; M35-N52 PolarHBondContact SD-OD1 3.39Å; M35-N52 VanDerWaalsContact SD-OD1 3.34Å; M35-P55 HydrophobicContact CE-CG 4.35Å; M35-P55 HydrophobicContact CG-CG 3.68Å; M35-P55 HydrophobicContact SD-CG 3.51Å; M35-P55 VanDerWaalsContact SD-CG 3.51Å
36G97.9Very high97.9Very high26 Ų2648.8 Ų48.827%0.26828%0.275SS..Iπ-helixtrans-74.5-52-177.400000113.2G32 G40 G41G32-G36 VanDerWaalsContact O-CA 3.3Å; G32-G36 WeakPolarHBondContact O-CA 3.16Å; G32-G36 PolarHBondContact O-N 3.3Å; G36-G40 CarbonylContact O-C 3.58Å; G36-G41 PolarHBondContact O-N 3.44Å; G36-G41 VanDerWaalsContact O-N 3.09Å
37H97.5Very high97.9Very high143 Ų14347.6 Ų47.666%0.66227%0.27SS*.Iπ-helixtrans-86.4-49.2-175.3178.5-92.5000112.3V33V33-H37 HydrophobicContact CG1-CB 4.38Å; V33-H37 WeakPolarHBondContact O-CA 3.37Å; V33-H37 VanDerWaalsContact O-CB 3.24Å; V33-H37 WeakPolarHBondContact O-CB 3.43Å; V33-H37 PolarHBondContact O-N 3.5Å
38Y97.6Very high97.8Very high85 Ų8549.9 Ų49.933%0.33329%0.289SS..Iπ-helixtrans-84.2-29.9-175.6-67.7-91.8000113.5V33 W34 P197 E198 L201V33-Y38 HydrophobicContact CG1-CE2 4.47Å; W34-Y38 WeakPolarHBondContact O-CA 3.37Å; W34-Y38 VanDerWaalsContact O-CB 3.3Å; W34-Y38 WeakPolarHBondContact O-CB 3.31Å; W34-Y38 PolarHBondContact O-N 2.75Å; W34-Y38 VanDerWaalsContact O-N 3.14Å; Y38-P197 HydrophobicContact CE1-CB 4.47Å; Y38-E198 HydrophobicContact CD1-CB 3.53Å; Y38-E198 HydrophobicContact CD1-CG 3.78Å; Y38-E198 HydrophobicContact CE1-CB 3.81Å; Y38-E198 HydrophobicContact CE1-CG 4.43Å; Y38-E198 HydrophobicContact CG-CB 4.09Å; Y38-E198 HydrophobicContact CG-CG 3.83Å; Y38-L201 HydrophobicContact CE2-CD1 4.19Å
39R97.4Very high97.7Very high44 Ų4452 Ų5217%0.16630%0.297CS..SBendtrans-103.310.8178.2-55.1-60.8-176.6-167.5-9.6114.5W34 M35 G41 H49 N52 E198W34-R39 PolarHBondContact O-N 3.31Å; W34-R39 VanDerWaalsContact O-N 3.15Å; M35-R39 HydrophobicContact CE-CG 3.65Å; M35-R39 CarbonylContact O-C 3.53Å; M35-R39 VanDerWaalsContact O-C 3.32Å; M35-R39 WeakPolarHBondContact O-CA 3.37Å; M35-R39 WeakPolarHBondContact O-CB 3.44Å; M35-R39 PolarHBondContact O-N 3.28Å; M35-R39 HydrophobicContact SD-CB 4.34Å; M35-R39 HydrophobicContact SD-CG 4.01Å; R39-G41 PolarHBondContact O-N 3.11Å; R39-H49 PolarHBondContact O-CE1 3.12Å; R39-H49 PolarHBondContact O-ND1 2.97Å; R39-N52 VanDerWaalsContact CB-ND2 3.28Å; R39-N52 WeakPolarHBondContact CB-ND2 3.4Å; R39-N52 WeakPolarHBondContact CB-OD1 3.18Å; R39-N52 PolarHBondContact O-ND2 2.92Å; R39-E198 VanDerWaalsContact CZ-CD 3.47Å; R39-E198 IonicContact CZ-OE1 3.79Å; R39-E198 IonicContact CZ-OE2 3.73Å; R39-E198 IonicContact NE-OE1 3.94Å; R39-E198 PolarHBondContact NE-OE1 3.23Å; R39-E198 IonicContact NH1-OE1 3.87Å; R39-E198 IonicContact NH1-OE2 2.73Å; R39-E198 IonicContact NH2-OE1 2.75Å; R39-E198 PolarHBondContact NH2-OE1 3.35Å; R39-E198 IonicContact NH2-OE2 2.59Å; R39-E198 PolarHBondContact NH2-OE2 3.4Å; R39-E198 VanDerWaalsContact NH2-OE2 3.14Å
40G96Very high97.7Very high52 Ų5248.3 Ų48.354%0.53628%0.275SS..  trans77.115.7167.300000115.7M35 G36 H49M35-G40 PolarHBondContact O-N 3.17Å; G36-G40 CarbonylContact O-C 3.58Å; G40-H49 VanDerWaalsContact C-CE1 3.42Å; G40-H49 PolarHBondContact O-CE1 2.94Å; G40-H49 PolarHBondContact O-ND1 3.37Å
41G97.2Very high97.7Very high16 Ų1648 Ų4817%0.16527%0.272CS..  trans108.8-166.7169.700000115M35 G36 R39 H49 N52M35-G41 PolarHBondContact O-N 2.6Å; M35-G41 VanDerWaalsContact O-N 3.15Å; G36-G41 PolarHBondContact O-N 3.44Å; G36-G41 VanDerWaalsContact O-N 3.09Å; R39-G41 PolarHBondContact O-N 3.11Å; G41-H49 PolarHBondContact O-ND1 2.86Å; G41-N52 WeakPolarHBondContact O-CB 3.39Å; G41-N52 PolarHBondContact O-ND2 3.07Å
42F98.3Very high97.7Very high84 Ų8448.1 Ų48.137%0.36827%0.272SS..  trans-126.6141-173.5-55.1-86.7000110.4M35 H49 N52 L53 L56M35-F42 HydrophobicContact CB-CE1 3.58Å; M35-F42 HydrophobicContact CB-CZ 3.52Å; M35-F42 HydrophobicContact CG-CE1 4.36Å; F42-H49 WeakPolarHBondContact CA-O 3.28Å; F42-N52 HydrophobicContact CD1-CB 3.99Å; F42-N52 HydrophobicContact CE1-CB 4.17Å; F42-N52 WeakPolarHBondContact CE1-O 3.43Å; F42-L53 HydrophobicContact CB-CD2 4.1Å; F42-L53 HydrophobicContact CD1-CD2 3.82Å; F42-L53 HydrophobicContact CD1-CG 4.23Å; F42-L53 HydrophobicContact CG-CD2 4.3Å; F42-L56 HydrophobicContact CD1-CD2 4.45Å; F42-L56 HydrophobicContact CE1-CB 4.14Å; F42-L56 HydrophobicContact CE1-CD2 3.68Å; F42-L56 HydrophobicContact CE2-CD2 4.47Å; F42-L56 HydrophobicContact CZ-CD2 3.7Å
43A97.7Very high97.7Very high31 Ų3148.7 Ų48.726%0.25627%0.27SS..  trans-150.5174.1174.700000110.5H49 E50 L53A43-H49 HydrophobicContact CB-CB 3.69Å; A43-H49 PolarHBondContact N-O 3.49Å; A43-H49 VanDerWaalsContact N-O 3.17Å; A43-E50 WeakPolarHBondContact O-CA 3.13Å; A43-L53 WeakPolarHBondContact O-CD1 3.24Å
44W97.9Very high97.7Very high139 Ų13946.8 Ų46.853%0.52726%0.257SS..SBendtrans-130.878170.3-163.9-70.5000108.3E50 L53 I101 V104 A105W44-E50 VanDerWaalsContact C-OE2 3.29Å; W44-E50 WeakPolarHBondContact CA-OE2 3.21Å; W44-L53 HydrophobicContact CE3-CD1 3.49Å; W44-L53 VanDerWaalsContact CE3-CD1 3.49Å; W44-L53 HydrophobicContact CZ3-CD1 3.83Å; W44-I101 HydrophobicContact CH2-CG2 4.15Å; W44-I101 HydrophobicContact CZ3-CG2 3.75Å; W44-V104 HydrophobicContact CH2-CB 4.33Å; W44-V104 HydrophobicContact CH2-CG1 3.97Å; W44-V104 HydrophobicContact CZ2-CG1 3.8Å; W44-A105 HydrophobicContact CH2-CB 4.26Å; W44-A105 HydrophobicContact CZ3-CB 4.12Å
45D97.1Very high97.7Very high103 Ų10347.7 Ų47.755%0.55126%0.264SS*.SBendtrans-148.79.5-165.867.9-5.2000115.1S47 E50D45-S47 PolarHBondContact O-N 3.02Å; D45-S47 WeakPolarHBondContact OD1-CB 3.46Å; D45-S47 PolarHBondContact OD1-N 3.35Å; D45-S47 PolarHBondContact OD1-OG 2.7Å; D45-S47 PolarHBondContact OD2-OG 3.19Å; D45-E50 PolarHBondContact N-OE2 3.37Å
46G95.3Very high97.7Very high17 Ų1749.5 Ų49.518%0.17527%0.273CS..SBendtrans76.21.4-175.700000114.6E50 A112G46-E50 WeakPolarHBondContact CA-OE2 3.25Å; G46-E50 PolarHBondContact N-OE2 3.36Å; G46-A112 WeakPolarHBondContact O-CB 3.26Å
47S97.1Very high97.8Very high36 Ų3649 Ų4925%0.25227%0.265SS..SBendtrans-83.9178.4-179.678.80000112.7D45 H49 E50 F51 F109D45-S47 PolarHBondContact O-N 3.02Å; D45-S47 WeakPolarHBondContact OD1-CB 3.46Å; D45-S47 PolarHBondContact OD1-N 3.35Å; D45-S47 PolarHBondContact OD1-OG 2.7Å; D45-S47 PolarHBondContact OD2-OG 3.19Å; S47-H49 PolarHBondContact O-N 2.91Å; S47-H49 VanDerWaalsContact O-N 3.17Å; S47-H49 WeakPolarHBondContact OG-CB 3.29Å; S47-H49 PolarHBondContact OG-N 3.48Å; S47-H49 VanDerWaalsContact OG-N 3.12Å; S47-E50 WeakPolarHBondContact O-CB 3.27Å; S47-E50 PolarHBondContact O-N 2.94Å; S47-F51 PolarHBondContact O-N 3.36Å; S47-F109 VanDerWaalsContact O-CD2 3.28Å; S47-F109 WeakPolarHBondContact O-CD2 3.31Å
48A97.1Very high97.8Very high49 Ų4943 Ų4341%0.40524%0.238SC..Hα-helixtrans-59.9-22.3171.800000113.1E50 F51 N52 F109A48-E50 VanDerWaalsContact C-N 3.3Å; A48-F51 WeakPolarHBondContact O-CB 3.37Å; A48-F51 PolarHBondContact O-N 3.01Å; A48-N52 VanDerWaalsContact O-CG 3.25Å; A48-N52 PolarHBondContact O-N 3.32Å; A48-N52 VanDerWaalsContact O-N 3.16Å; A48-N52 PolarHBondContact O-OD1 3.49Å; A48-F109 HydrophobicContact CB-CE2 4.35Å
49H98.1Very high97.9Very high66 Ų6639.2 Ų39.231%0.30622%0.224SC..Hα-helixtrans-72.6-24.3174.4-60.1-54.2000112.6R39 G40 G41 F42 A43 S47 N52R39-H49 PolarHBondContact O-CE1 3.12Å; R39-H49 PolarHBondContact O-ND1 2.97Å; G40-H49 VanDerWaalsContact C-CE1 3.42Å; G40-H49 PolarHBondContact O-CE1 2.94Å; G40-H49 PolarHBondContact O-ND1 3.37Å; G41-H49 PolarHBondContact O-ND1 2.86Å; F42-H49 WeakPolarHBondContact CA-O 3.28Å; A43-H49 HydrophobicContact CB-CB 3.69Å; A43-H49 PolarHBondContact N-O 3.49Å; A43-H49 VanDerWaalsContact N-O 3.17Å; S47-H49 PolarHBondContact O-N 2.91Å; S47-H49 VanDerWaalsContact O-N 3.17Å; S47-H49 WeakPolarHBondContact OG-CB 3.29Å; S47-H49 PolarHBondContact OG-N 3.48Å; S47-H49 VanDerWaalsContact OG-N 3.12Å; H49-N52 WeakPolarHBondContact O-CB 3.49Å
50E98.4Very high97.9Very high4 Ų439.7 Ų39.72%0.01923%0.229CC..Hα-helixtrans-72.9-42.7169.6-172.9169.1155.200111.2A43 W44 D45 G46 S47 A48 N52 L53 A105 D108A43-E50 WeakPolarHBondContact O-CA 3.13Å; W44-E50 VanDerWaalsContact C-OE2 3.29Å; W44-E50 WeakPolarHBondContact CA-OE2 3.21Å; D45-E50 PolarHBondContact N-OE2 3.37Å; G46-E50 WeakPolarHBondContact CA-OE2 3.25Å; G46-E50 PolarHBondContact N-OE2 3.36Å; S47-E50 WeakPolarHBondContact O-CB 3.27Å; S47-E50 PolarHBondContact O-N 2.94Å; A48-E50 VanDerWaalsContact C-N 3.3Å; E50-N52 PolarHBondContact O-N 3.02Å; E50-N52 VanDerWaalsContact O-N 3.16Å; E50-L53 HydrophobicContact CG-CD1 4.44Å; E50-L53 VanDerWaalsContact O-CB 3.29Å; E50-L53 WeakPolarHBondContact O-CB 3.33Å; E50-L53 PolarHBondContact O-N 3.06Å; E50-A105 HydrophobicContact CG-CB 3.92Å; E50-D108 WeakPolarHBondContact OE1-CB 3.39Å
51F98.3Very high98.1Very high31 Ų3137.2 Ų37.214%0.13620%0.203CC..Hα-helixtrans-53.7-38.4172.1176.5-85.9000112S47 A48 L53 H54 P55 V106 F109 K183S47-F51 PolarHBondContact O-N 3.36Å; A48-F51 WeakPolarHBondContact O-CB 3.37Å; A48-F51 PolarHBondContact O-N 3.01Å; F51-L53 PolarHBondContact O-N 3.23Å; F51-L53 VanDerWaalsContact O-N 3.09Å; F51-H54 WeakPolarHBondContact O-CB 3.41Å; F51-H54 PolarHBondContact O-N 3.04Å; F51-P55 VanDerWaalsContact O-CD 3.29Å; F51-P55 WeakPolarHBondContact O-CD 3.24Å; F51-V106 HydrophobicContact CD2-CB 4.37Å; F51-V106 HydrophobicContact CD2-CG2 3.86Å; F51-V106 HydrophobicContact CE2-CG2 3.82Å; F51-F109 HydrophobicContact CB-CB 4.23Å; F51-F109 HydrophobicContact CB-CD1 3.8Å; F51-F109 HydrophobicContact CB-CD2 4.25Å; F51-F109 HydrophobicContact CB-CE1 4.22Å; F51-F109 HydrophobicContact CB-CG 3.81Å; F51-F109 AromaticContact CD2-CD1 3.7Å; F51-F109 HydrophobicContact CD2-CD1 3.7Å; F51-F109 HydrophobicContact CD2-CE1 4.02Å; F51-F109 HydrophobicContact CD2-CG 4.49Å; F51-F109 HydrophobicContact CG-CD1 4.13Å; F51-F109 HydrophobicContact CG-CE1 4.33Å; F51-K183 HydrophobicContact CD1-CD 4.37Å; F51-K183 HydrophobicContact CE1-CD 3.54Å; F51-K183 HydrophobicContact CE1-CG 4.26Å; F51-K183 HydrophobicContact CZ-CD 4.05Å
52N98.5Very high98.1Very high2 Ų236.9 Ų36.91%0.01120%0.198CC..THydrogen-bonded Turntrans-59.1-22.7-179.4-72.1-13.1000113.5M35 R39 G41 F42 A48 H49 E50 H54 P55M35-N52 HydrophobicContact CB-CB 3.99Å; M35-N52 HydrophobicContact CG-CB 4.2Å; M35-N52 WeakPolarHBondContact CG-O 3.33Å; M35-N52 HydrophobicContact SD-CB 3.94Å; M35-N52 PolarHBondContact SD-OD1 3.39Å; M35-N52 VanDerWaalsContact SD-OD1 3.34Å; R39-N52 VanDerWaalsContact CB-ND2 3.28Å; R39-N52 WeakPolarHBondContact CB-ND2 3.4Å; R39-N52 WeakPolarHBondContact CB-OD1 3.18Å; R39-N52 PolarHBondContact O-ND2 2.92Å; G41-N52 WeakPolarHBondContact O-CB 3.39Å; G41-N52 PolarHBondContact O-ND2 3.07Å; F42-N52 HydrophobicContact CD1-CB 3.99Å; F42-N52 HydrophobicContact CE1-CB 4.17Å; F42-N52 WeakPolarHBondContact CE1-O 3.43Å; A48-N52 VanDerWaalsContact O-CG 3.25Å; A48-N52 PolarHBondContact O-N 3.32Å; A48-N52 VanDerWaalsContact O-N 3.16Å; A48-N52 PolarHBondContact O-OD1 3.49Å; H49-N52 WeakPolarHBondContact O-CB 3.49Å; E50-N52 PolarHBondContact O-N 3.02Å; E50-N52 VanDerWaalsContact O-N 3.16Å; N52-H54 VanDerWaalsContact C-N 3.28Å; N52-H54 PolarHBondContact O-N 2.89Å; N52-P55 WeakPolarHBondContact O-CD 3.3Å
53L98.7Very high98.2Very high33 Ų3333 Ų3317%0.17318%0.181CC..Hα-helixtrans-64.6-33.7171.6-67.6168.4000112F42 A43 W44 E50 F51 L56 C57 A105F42-L53 HydrophobicContact CB-CD2 4.1Å; F42-L53 HydrophobicContact CD1-CD2 3.82Å; F42-L53 HydrophobicContact CD1-CG 4.23Å; F42-L53 HydrophobicContact CG-CD2 4.3Å; A43-L53 WeakPolarHBondContact O-CD1 3.24Å; W44-L53 HydrophobicContact CE3-CD1 3.49Å; W44-L53 VanDerWaalsContact CE3-CD1 3.49Å; W44-L53 HydrophobicContact CZ3-CD1 3.83Å; E50-L53 HydrophobicContact CG-CD1 4.44Å; E50-L53 VanDerWaalsContact O-CB 3.29Å; E50-L53 WeakPolarHBondContact O-CB 3.33Å; E50-L53 PolarHBondContact O-N 3.06Å; F51-L53 PolarHBondContact O-N 3.23Å; F51-L53 VanDerWaalsContact O-N 3.09Å; L53-L56 PolarHBondContact O-N 3.33Å; L53-C57 VanDerWaalsContact O-CB 3.25Å; L53-C57 WeakPolarHBondContact O-CB 3.47Å; L53-C57 PolarHBondContact O-N 3.44Å; L53-C57 PolarHBondContact O-SG 2.77Å; L53-A105 HydrophobicContact CB-CB 4.11Å; L53-A105 HydrophobicContact CD1-CB 4.43Å
54H98.6Very high98.2Very high19 Ų1932.8 Ų32.89%0.08817%0.174CC..Hα-helixtrans-54.1-62.2-176.5177.375.7000113.2F51 N52 L56 C57 M58 G102 V106 H122F51-H54 WeakPolarHBondContact O-CB 3.41Å; F51-H54 PolarHBondContact O-N 3.04Å; N52-H54 VanDerWaalsContact C-N 3.28Å; N52-H54 PolarHBondContact O-N 2.89Å; H54-L56 VanDerWaalsContact C-N 3.3Å; H54-L56 PolarHBondContact O-N 2.82Å; H54-C57 PolarHBondContact O-N 2.95Å; H54-M58 VanDerWaalsContact O-CG 3.31Å; H54-M58 WeakPolarHBondContact O-CG 3.29Å; H54-M58 PolarHBondContact O-N 3.32Å; H54-G102 WeakPolarHBondContact CB-O 3.37Å; H54-G102 PolarHBondContact ND1-O 3.43Å; H54-V106 HydrophobicContact CB-CB 4.33Å; H54-H122 AromaticContact NE2-NE2 3.75Å
55P98.6Very high98.2Very high22 Ų2227.6 Ų27.614%0.14316%0.157CC..Hα-helixtrans-62.4-36-178.424.5-34.2000112.6T31 M35 F51 N52 M58 V59T31-P55 HydrophobicContact CG2-CB 4.12Å; M35-P55 HydrophobicContact CE-CG 4.35Å; M35-P55 HydrophobicContact CG-CG 3.68Å; M35-P55 HydrophobicContact SD-CG 3.51Å; M35-P55 VanDerWaalsContact SD-CG 3.51Å; F51-P55 VanDerWaalsContact O-CD 3.29Å; F51-P55 WeakPolarHBondContact O-CD 3.24Å; N52-P55 WeakPolarHBondContact O-CD 3.3Å; P55-M58 PolarHBondContact O-N 3.25Å; P55-V59 WeakPolarHBondContact O-CG2 3.4Å; P55-V59 PolarHBondContact O-N 2.9Å
56L98.7Very high98.3Very high38 Ų3822.9 Ų22.920%0.19913%0.131CC..Hα-helixtrans-63.1-47.7176.6-179.163000111.3V28 T31 F42 L53 H54 V59 L60V28-L56 HydrophobicContact CG1-CD1 4.25Å; T31-L56 HydrophobicContact CG2-CB 4.31Å; T31-L56 HydrophobicContact CG2-CD1 4.43Å; F42-L56 HydrophobicContact CD1-CD2 4.45Å; F42-L56 HydrophobicContact CE1-CB 4.14Å; F42-L56 HydrophobicContact CE1-CD2 3.68Å; F42-L56 HydrophobicContact CE2-CD2 4.47Å; F42-L56 HydrophobicContact CZ-CD2 3.7Å; L53-L56 PolarHBondContact O-N 3.33Å; H54-L56 VanDerWaalsContact C-N 3.3Å; H54-L56 PolarHBondContact O-N 2.82Å; L56-V59 PolarHBondContact O-N 3.06Å; L56-L60 VanDerWaalsContact O-CB 3.23Å; L56-L60 WeakPolarHBondContact O-CB 3.45Å; L56-L60 PolarHBondContact O-N 2.91Å
57C98.8Very high98.5Very high14 Ų1422 Ų2210%0.09512%0.123CC..Hα-helixtrans-62.5-40.6176.2-760000112.2L53 H54 G61 I98L53-C57 VanDerWaalsContact O-CB 3.25Å; L53-C57 WeakPolarHBondContact O-CB 3.47Å; L53-C57 PolarHBondContact O-N 3.44Å; L53-C57 PolarHBondContact O-SG 2.77Å; H54-C57 PolarHBondContact O-N 2.95Å; C57-G61 WeakPolarHBondContact O-CA 3.4Å; C57-G61 PolarHBondContact O-N 3.4Å; C57-I98 HydrophobicContact CB-CG2 3.96Å; C57-I98 WeakPolarHBondContact CB-O 3.42Å
58M98.8Very high98.5Very high18 Ų1821.8 Ų21.89%0.08912%0.119CC..Hα-helixtrans-65.2-46.4178.5-67.4-48.6102.900111.8H54 P55 L62 I63 S99 V103H54-M58 VanDerWaalsContact O-CG 3.31Å; H54-M58 WeakPolarHBondContact O-CG 3.29Å; H54-M58 PolarHBondContact O-N 3.32Å; P55-M58 PolarHBondContact O-N 3.25Å; M58-L62 PolarHBondContact O-N 2.93Å; M58-L62 HydrophobicContact SD-CD1 4.04Å; M58-I63 PolarHBondContact O-N 3.27Å; M58-S99 VanDerWaalsContact CE-O 3.25Å; M58-S99 WeakPolarHBondContact CE-O 3.48Å; M58-V103 HydrophobicContact CE-CG2 4.11Å
59V98.9Very high98.6Very high6 Ų619.5 Ų19.54%0.03610%0.099CC..Iπ-helixtrans-68.2-41179.9174.10000111.2V28 T31 P55 L56 I63 F64 L209V28-V59 HydrophobicContact CG2-CG1 4.07Å; T31-V59 HydrophobicContact CG2-CB 4.47Å; T31-V59 HydrophobicContact CG2-CG2 4.25Å; P55-V59 WeakPolarHBondContact O-CG2 3.4Å; P55-V59 PolarHBondContact O-N 2.9Å; L56-V59 PolarHBondContact O-N 3.06Å; V59-I63 HydrophobicContact CG2-CD1 4.27Å; V59-I63 WeakPolarHBondContact O-CB 3.28Å; V59-F64 PolarHBondContact O-N 3.34Å; V59-L209 HydrophobicContact CG1-CD2 4.2Å; V59-L209 HydrophobicContact CG2-CD1 4.41Å
60L98.8Very high98.5Very high53 Ų5317.5 Ų17.528%0.2779%0.091SC..Iπ-helixtrans-67.8-49.6176.7178.958.6000112V28 L56 F64 L65 I98V28-L60 HydrophobicContact CG1-CD1 4.37Å; V28-L60 HydrophobicContact CG2-CD1 4.25Å; L56-L60 VanDerWaalsContact O-CB 3.23Å; L56-L60 WeakPolarHBondContact O-CB 3.45Å; L56-L60 PolarHBondContact O-N 2.91Å; L60-F64 HydrophobicContact CD1-CD1 4.12Å; L60-L65 HydrophobicContact CD1-CD1 4.43Å; L60-L65 HydrophobicContact CD1-CG 4.29Å; L60-L65 HydrophobicContact CG-CD1 4.34Å; L60-L65 WeakPolarHBondContact O-CB 3.47Å; L60-L65 VanDerWaalsContact O-CG 3.28Å; L60-L65 WeakPolarHBondContact O-CG 3.43Å; L60-L65 PolarHBondContact O-N 2.85Å; L60-I98 HydrophobicContact CD2-CD1 4.19Å; L60-I98 HydrophobicContact CD2-CG2 4.36Å; L60-I98 HydrophobicContact CG-CD1 4.39Å; L60-I98 HydrophobicContact CG-CG2 4.48Å
61G98.8Very high98.4Very high0 Ų017.5 Ų17.50%09%0.091CC..Iπ-helixtrans-76.6-71.7-174.800000113.1C57 I63 H66 A95C57-G61 WeakPolarHBondContact O-CA 3.4Å; C57-G61 PolarHBondContact O-N 3.4Å; G61-I63 VanDerWaalsContact C-N 3.29Å; G61-I63 PolarHBondContact O-N 3.44Å; G61-H66 PolarHBondContact O-N 2.6Å; G61-A95 WeakPolarHBondContact O-CB 3.11Å
62L98.5Very high98.3Very high10 Ų1016.2 Ų16.25%0.0529%0.086CC..Iπ-helixtrans-75.4-13.4-170.1-63.9-175.3000114.4M58 H66 S99 T129 F133 A172M58-L62 PolarHBondContact O-N 2.93Å; M58-L62 HydrophobicContact SD-CD1 4.04Å; L62-H66 WeakPolarHBondContact O-CB 3.31Å; L62-H66 PolarHBondContact O-CD2 2.88Å; L62-S99 VanDerWaalsContact CD2-OG 3.25Å; L62-S99 WeakPolarHBondContact CD2-OG 2.98Å; L62-S99 VanDerWaalsContact CG-OG 3.23Å; L62-S99 WeakPolarHBondContact CG-OG 3.34Å; L62-T129 HydrophobicContact CD1-CG2 4.47Å; L62-F133 HydrophobicContact CD2-CD1 4.42Å; L62-F133 HydrophobicContact CD2-CD2 3.94Å; L62-F133 HydrophobicContact CD2-CE2 4.1Å; L62-F133 HydrophobicContact CD2-CG 4.1Å; L62-F133 HydrophobicContact CD2-CZ 4.42Å; L62-A172 HydrophobicContact CB-CB 3.9Å
63I98.6Very high98.1Very high2 Ų219 Ų191%0.0110%0.097CC..Iπ-helixtrans-111.3-63.6178.8-62.4165.2000111M58 V59 G61 G67 A172 I173 S176 L209 Y212M58-I63 PolarHBondContact O-N 3.27Å; V59-I63 HydrophobicContact CG2-CD1 4.27Å; V59-I63 WeakPolarHBondContact O-CB 3.28Å; G61-I63 VanDerWaalsContact C-N 3.29Å; G61-I63 PolarHBondContact O-N 3.44Å; I63-G67 PolarHBondContact O-N 3.33Å; I63-A172 HydrophobicContact CG1-CB 4.33Å; I63-I173 HydrophobicContact CD1-CG1 4.38Å; I63-I173 HydrophobicContact CG1-CG1 4.18Å; I63-I173 HydrophobicContact CG2-CG1 4.45Å; I63-S176 VanDerWaalsContact CD1-OG 3.28Å; I63-S176 WeakPolarHBondContact CD1-OG 3.39Å; I63-L209 HydrophobicContact CD1-CD1 3.95Å; I63-L209 HydrophobicContact CD1-CD2 4.07Å; I63-L209 HydrophobicContact CG2-CD2 4.16Å; I63-Y212 HydrophobicContact CG2-CD1 3.63Å; I63-Y212 HydrophobicContact CG2-CE1 3.56Å; I63-Y212 WeakPolarHBondContact O-CE1 3.39Å; I63-Y212 PolarHBondContact O-OH 3.08Å
64F98.7Very high97.8Very high26 Ų2618.7 Ų18.711%0.1149%0.093CC..Iπ-helixtrans-70.5-61.3-172.5-174.8-125.2000112.1V28 V59 L60 H66 G67 D68 Y212V28-F64 HydrophobicContact CG2-CB 3.9Å; V28-F64 HydrophobicContact CG2-CD1 4.14Å; V28-F64 HydrophobicContact CG2-CG 4.11Å; V59-F64 PolarHBondContact O-N 3.34Å; L60-F64 HydrophobicContact CD1-CD1 4.12Å; F64-H66 VanDerWaalsContact C-N 3.34Å; F64-H66 PolarHBondContact O-N 2.85Å; F64-G67 WeakPolarHBondContact O-CA 3.47Å; F64-G67 PolarHBondContact O-N 2.93Å; F64-G67 VanDerWaalsContact O-N 3.08Å; F64-D68 PolarHBondContact O-N 3.38Å; F64-Y212 PolarHBondContact O-OH 2.93Å
65L98.8Very high97.6Very high31 Ų3120.6 Ų20.616%0.16211%0.106CC..Iπ-helixtrans-63.9-38-179.9-67.8175.9000112.5L60 G67 D68 A69 I91 A95 I98L60-L65 HydrophobicContact CD1-CD1 4.43Å; L60-L65 HydrophobicContact CD1-CG 4.29Å; L60-L65 HydrophobicContact CG-CD1 4.34Å; L60-L65 WeakPolarHBondContact O-CB 3.47Å; L60-L65 VanDerWaalsContact O-CG 3.28Å; L60-L65 WeakPolarHBondContact O-CG 3.43Å; L60-L65 PolarHBondContact O-N 2.85Å; L65-G67 VanDerWaalsContact C-N 3.34Å; L65-D68 PolarHBondContact O-N 2.91Å; L65-A69 WeakPolarHBondContact O-CB 3.34Å; L65-A69 PolarHBondContact O-N 3.2Å; L65-I91 HydrophobicContact CB-CG2 4.09Å; L65-I91 HydrophobicContact CD2-CG2 4.3Å; L65-I91 WeakPolarHBondContact O-CG2 3.49Å; L65-A95 HydrophobicContact CB-CB 3.9Å; L65-I98 HydrophobicContact CD1-CD1 3.58Å
66H98.6Very high97.3Very high3 Ų323.8 Ų23.81%0.01412%0.118CC..Hα-helixtrans-57.8-47.6171.2-179.535.3000111.8G61 L62 F64 D68 A69 I70 H92 F133 G165 L169G61-H66 PolarHBondContact O-N 2.6Å; L62-H66 WeakPolarHBondContact O-CB 3.31Å; L62-H66 PolarHBondContact O-CD2 2.88Å; F64-H66 VanDerWaalsContact C-N 3.34Å; F64-H66 PolarHBondContact O-N 2.85Å; H66-D68 PolarHBondContact O-N 2.93Å; H66-A69 PolarHBondContact O-N 2.87Å; H66-I70 PolarHBondContact O-N 2.75Å; H66-H92 AromaticContact CE1-CE1 3.71Å; H66-H92 AromaticContact ND1-CE1 3.12Å; H66-H92 PolarHBondContact ND1-CE1 2.99Å; H66-H92 AromaticContact ND1-ND1 3.49Å; H66-H92 PolarHBondContact ND1-ND1 3.47Å; H66-F133 HydrophobicContact CB-CE2 4.06Å; H66-F133 HydrophobicContact CB-CZ 4.42Å; H66-F133 AromaticContact CE1-CE2 3.8Å; H66-F133 AromaticContact CG-CE2 3.59Å; H66-F133 AromaticContact ND1-CE2 3.43Å; H66-F133 WeakPolarHBondContact ND1-CE2 3.46Å; H66-G165 PolarHBondContact CE1-O 3.41Å; H66-G165 PolarHBondContact NE2-O 3.46Å; H66-G165 VanDerWaalsContact NE2-O 3.14Å; H66-L169 PolarHBondContact NE2-N 3.47Å
67G98.3Very high96.7Very high0 Ų023.7 Ų23.70%012%0.12CC..Hα-helixtrans-61.2-39.9177.800000113.9I63 F64 L65 I70 L71 Y212I63-G67 PolarHBondContact O-N 3.33Å; F64-G67 WeakPolarHBondContact O-CA 3.47Å; F64-G67 PolarHBondContact O-N 2.93Å; F64-G67 VanDerWaalsContact O-N 3.08Å; L65-G67 VanDerWaalsContact C-N 3.34Å; G67-I70 WeakPolarHBondContact O-CG1 3.44Å; G67-L71 PolarHBondContact O-N 3.47Å; G67-Y212 WeakPolarHBondContact CA-OH 3.22Å
68D98.1Very high96.1Very high31 Ų3130.3 Ų30.317%0.16616%0.155CC..Hα-helixtrans-63.8-47.6172.7-78.2-12.1000111.3Q21 F64 L65 H66 I70 L71 V72Q21-D68 PolarHBondContact NE2-OD1 3.41Å; Q21-D68 PolarHBondContact OE1-OD1 2.75Å; F64-D68 PolarHBondContact O-N 3.38Å; L65-D68 PolarHBondContact O-N 2.91Å; H66-D68 PolarHBondContact O-N 2.93Å; D68-I70 VanDerWaalsContact C-N 3.31Å; D68-I70 PolarHBondContact O-N 3.22Å; D68-L71 PolarHBondContact O-N 3.01Å; D68-V72 WeakPolarHBondContact O-CG2 3.39Å; D68-V72 PolarHBondContact O-N 2.91Å
69A98.2Very high95.7Very high0 Ų034.4 Ų34.40%017%0.173CC..Hα-helixtrans-60-38.4-178.300000112.8L65 H66 L71 H88 I91 H92L65-A69 WeakPolarHBondContact O-CB 3.34Å; L65-A69 PolarHBondContact O-N 3.2Å; H66-A69 PolarHBondContact O-N 2.87Å; A69-L71 VanDerWaalsContact C-N 3.33Å; A69-H88 PolarHBondContact O-ND1 3.01Å; A69-I91 HydrophobicContact CB-CB 3.92Å; A69-I91 HydrophobicContact CB-CG2 3.74Å; A69-H92 WeakPolarHBondContact CB-CE1 3.41Å; A69-H92 WeakPolarHBondContact CB-NE2 3.5Å
70I97.1Very high95.3Very high25 Ų2536.6 Ų36.613%0.12819%0.192CC..Hα-helixtrans-71-27.8175.665.2173.6000112.6H66 G67 D68 L166 L169 L216 I220H66-I70 PolarHBondContact O-N 2.75Å; G67-I70 WeakPolarHBondContact O-CG1 3.44Å; D68-I70 VanDerWaalsContact C-N 3.31Å; D68-I70 PolarHBondContact O-N 3.22Å; I70-L166 HydrophobicContact CD1-CD1 4.38Å; I70-L169 HydrophobicContact CD1-CD2 3.74Å; I70-L216 HydrophobicContact CD1-CD1 4.31Å; I70-I220 HydrophobicContact CB-CD1 4.21Å; I70-I220 HydrophobicContact CD1-CD1 4.35Å; I70-I220 HydrophobicContact CD1-CG1 4.01Å; I70-I220 HydrophobicContact CG1-CD1 4.08Å; I70-I220 HydrophobicContact CG1-CG1 4.28Å; I70-I220 WeakPolarHBondContact O-CD1 3.45Å
71L96.6Very high94.8Very high3 Ų336.5 Ų36.52%0.01619%0.189CC..Hα-helixtrans-81.4-21.2177.5-80.6179.3000114.2G67 D68 A69 Y73 R74 V75 L216 L219 I220G67-L71 PolarHBondContact O-N 3.47Å; D68-L71 PolarHBondContact O-N 3.01Å; A69-L71 VanDerWaalsContact C-N 3.33Å; L71-Y73 PolarHBondContact O-N 3.29Å; L71-R74 WeakPolarHBondContact O-CA 3.32Å; L71-R74 WeakPolarHBondContact O-CB 3.38Å; L71-R74 PolarHBondContact O-N 3.31Å; L71-V75 HydrophobicContact CB-CG2 4.35Å; L71-V75 PolarHBondContact O-N 2.82Å; L71-L216 HydrophobicContact CD1-CD2 3.28Å; L71-L216 HydrophobicContact CD2-CD2 4.26Å; L71-L216 HydrophobicContact CG-CD2 3.75Å; L71-L219 HydrophobicContact CD1-CD1 4.26Å; L71-L219 HydrophobicContact CD2-CB 3.76Å; L71-L219 HydrophobicContact CD2-CD1 4.07Å; L71-I220 HydrophobicContact CD2-CD1 3.78Å; L71-I220 HydrophobicContact CD2-CG1 4.23Å; L71-I220 HydrophobicContact CG-CD1 4.33Å
72V96.3Very high94.4Very high5 Ų544.4 Ų44.43%0.0322%0.224CC..Hα-helixtrans-47.9-41.6-174.1157.60000113.2D68 R74 V75 F76 V84 L87 H88 I91D68-V72 WeakPolarHBondContact O-CG2 3.39Å; D68-V72 PolarHBondContact O-N 2.91Å; V72-R74 VanDerWaalsContact C-N 3.27Å; V72-R74 PolarHBondContact O-N 3.04Å; V72-V75 PolarHBondContact O-N 2.95Å; V72-F76 HydrophobicContact CB-CD2 4.44Å; V72-F76 HydrophobicContact CG1-CD2 4.11Å; V72-F76 HydrophobicContact CG2-CD2 4.44Å; V72-F76 HydrophobicContact CG2-CE2 4.48Å; V72-F76 WeakPolarHBondContact O-CB 3.25Å; V72-F76 WeakPolarHBondContact O-CD2 3.38Å; V72-F76 PolarHBondContact O-N 3.31Å; V72-V84 HydrophobicContact CG1-CG1 3.56Å; V72-L87 HydrophobicContact CG1-CB 4.26Å; V72-L87 HydrophobicContact CG1-CD2 3.94Å; V72-L87 HydrophobicContact CG1-CG 4.17Å; V72-L87 HydrophobicContact CG2-CD2 4.07Å; V72-L87 HydrophobicContact CG2-CG 4.16Å; V72-H88 HydrophobicContact CG1-CB 4.31Å; V72-I91 HydrophobicContact CG2-CD1 3.83Å
73Y93.3Very high94.2Very high61 Ų6149.8 Ų49.824%0.23925%0.248CC..Hα-helixtrans-67.8-24.3179.5-77.7-85.9000114.5L71 V84 K85 H88L71-Y73 PolarHBondContact O-N 3.29Å; Y73-V84 HydrophobicContact CD1-CB 4.42Å; Y73-V84 HydrophobicContact CD1-CG1 3.44Å; Y73-V84 VanDerWaalsContact CD1-CG1 3.44Å; Y73-V84 HydrophobicContact CD2-CG1 4.28Å; Y73-V84 HydrophobicContact CE1-CB 4.32Å; Y73-V84 HydrophobicContact CE1-CG1 3.69Å; Y73-V84 HydrophobicContact CE2-CG1 4.49Å; Y73-V84 HydrophobicContact CG-CG1 3.77Å; Y73-K85 HydrophobicContact CE1-CG 4.35Å; Y73-K85 WeakPolarHBondContact OH-CA 3.43Å; Y73-K85 WeakPolarHBondContact OH-CG 3.31Å; Y73-H88 HydrophobicContact CE2-CB 3.82Å; Y73-H88 AromaticContact CE2-CG 3.7Å; Y73-H88 AromaticContact CE2-ND1 3.89Å
74R93.1Very high94Very high25 Ų2549.8 Ų49.89%0.09425%0.248CC..Hα-helixtrans-86.2-42.3178.5-58.3-173.3170.8-93.94.2110.9F13 L71 V72 L219 I220 R222 Y225 R226F13-R74 HydrophobicContact CE2-CB 4.24Å; F13-R74 HydrophobicContact CZ-CB 3.88Å; L71-R74 WeakPolarHBondContact O-CA 3.32Å; L71-R74 WeakPolarHBondContact O-CB 3.38Å; L71-R74 PolarHBondContact O-N 3.31Å; V72-R74 VanDerWaalsContact C-N 3.27Å; V72-R74 PolarHBondContact O-N 3.04Å; R74-L219 VanDerWaalsContact CD-O 3.28Å; R74-L219 WeakPolarHBondContact CD-O 3.37Å; R74-L219 VanDerWaalsContact CZ-O 3.22Å; R74-L219 PolarHBondContact NE-O 2.72Å; R74-L219 PolarHBondContact NH1-O 3.35Å; R74-I220 VanDerWaalsContact NH2-C 3.26Å; R74-I220 PolarHBondContact NH2-O 3.01Å; R74-R222 PolarHBondContact NH1-O 3.17Å; R74-R222 PolarHBondContact NH2-O 2.98Å; R74-Y225 WeakPolarHBondContact CG-O 3.28Å; R74-Y225 VanDerWaalsContact NH1-CB 3.31Å; R74-Y225 PolarHBondContact NH1-O 3.24Å; R74-R226 VanDerWaalsContact NH1-N 3.14Å
75V93.7Very high93.8Very high59 Ų5951 Ų5136%0.35825%0.253SS..Hα-helixtrans-70.5-46.3-179.8177.50000111.2F13 V17 L71 V72 C77F13-V75 HydrophobicContact CZ-CG2 4.46Å; V17-V75 HydrophobicContact CG1-CG2 3.98Å; V17-V75 HydrophobicContact CG2-CG2 4.26Å; L71-V75 HydrophobicContact CB-CG2 4.35Å; L71-V75 PolarHBondContact O-N 2.82Å; V72-V75 PolarHBondContact O-N 2.95Å; V75-C77 VanDerWaalsContact C-N 3.34Å; V75-C77 PolarHBondContact O-N 2.94Å
76F92.6Very high93.7Very high89 Ų8953.5 Ų53.539%0.3927%0.267SS..THydrogen-bonded Turntrans-99.143.2-178.2-58.5-75000111.5V72 N78 E79 V84 L87V72-F76 HydrophobicContact CB-CD2 4.44Å; V72-F76 HydrophobicContact CG1-CD2 4.11Å; V72-F76 HydrophobicContact CG2-CD2 4.44Å; V72-F76 HydrophobicContact CG2-CE2 4.48Å; V72-F76 WeakPolarHBondContact O-CB 3.25Å; V72-F76 WeakPolarHBondContact O-CD2 3.38Å; V72-F76 PolarHBondContact O-N 3.31Å; F76-N78 VanDerWaalsContact C-N 3.25Å; F76-N78 PolarHBondContact O-N 3Å; F76-E79 HydrophobicContact CB-CB 4.14Å; F76-E79 HydrophobicContact CB-CG 3.92Å; F76-E79 HydrophobicContact CD1-CG 4.14Å; F76-E79 HydrophobicContact CG-CG 4.49Å; F76-E79 PolarHBondContact O-N 3.44Å; F76-V84 HydrophobicContact CB-CG2 3.98Å; F76-V84 WeakPolarHBondContact O-CG2 3.48Å; F76-L87 HydrophobicContact CD2-CD2 3.91Å; F76-L87 HydrophobicContact CE2-CD2 3.78Å; F76-L87 HydrophobicContact CZ-CD2 4.43Å
77C86.6Confident93.6Very high37 Ų3756.4 Ų56.425%0.2528%0.282CS..THydrogen-bonded Turntrans-63.7-29.5-175.960.90000113.4V75 R227V75-C77 VanDerWaalsContact C-N 3.34Å; V75-C77 PolarHBondContact O-N 2.94Å; C77-R227 HydrophobicContact CB-CB 4.37Å; C77-R227 HydrophobicContact CB-CG 4.29Å
78N86Confident93.6Very high153 Ų15357.7 Ų57.782%0.81829%0.288SS*.THydrogen-bonded Turntrans-86.7-7.7-179.9-61.7-38.1000113.9F76F76-N78 VanDerWaalsContact C-N 3.25Å; F76-N78 PolarHBondContact O-N 3Å
79E90.2Very high93.6Very high103 Ų10356.8 Ų56.848%0.48129%0.286SS..SBendtrans-84.2156.2-178.6-68.3-59.4149.700112.2F76 K81 V84 R227F76-E79 HydrophobicContact CB-CB 4.14Å; F76-E79 HydrophobicContact CB-CG 3.92Å; F76-E79 HydrophobicContact CD1-CG 4.14Å; F76-E79 HydrophobicContact CG-CG 4.49Å; F76-E79 PolarHBondContact O-N 3.44Å; E79-K81 PolarHBondContact O-N 3.14Å; E79-V84 HydrophobicContact CB-CG2 3.65Å; E79-R227 VanDerWaalsContact O-CZ 3.24Å; E79-R227 PolarHBondContact O-NH1 3.25Å; E79-R227 PolarHBondContact O-NH2 2.76Å
80A90.5Very high93.6Very high52 Ų5260.5 Ų60.543%0.4331%0.305SS..  trans-58.3129.8179.500000110.9K82 H83 V84A80-K82 PolarHBondContact O-N 2.85Å; A80-H83 PolarHBondContact O-N 3.5Å; A80-V84 PolarHBondContact O-N 3.46Å
81K88.6Confident93.6Very high51 Ų5160.6 Ų60.622%0.22231%0.306CS..Hα-helixtrans-53.4-33.5-173-169.7171.7-173.9168.80113.1E79 K85 E233E79-K81 PolarHBondContact O-N 3.14Å; K81-K85 HydrophobicContact CG-CD 4.5Å; K81-K85 WeakPolarHBondContact O-CB 3.39Å; K81-K85 WeakPolarHBondContact O-CG 3.49Å; K81-K85 PolarHBondContact O-N 3.19Å; K81-E233 IonicContact NZ-OE1 2.79Å; K81-E233 PolarHBondContact NZ-OE1 3.17Å; K81-E233 IonicContact NZ-OE2 3.14Å; K81-E233 PolarHBondContact NZ-OE2 2.99Å
82K90.4Very high93.7Very high167 Ų16761.4 Ų61.473%0.72631%0.309SS*.Hα-helixtrans-63.3-42.8175.5-173.3179.9178.7-1780112.6A80 L86A80-K82 PolarHBondContact O-N 2.85Å; K82-L86 WeakPolarHBondContact O-CB 3.3Å; K82-L86 PolarHBondContact O-N 3.09Å
83H93.7Very high93.8Very high123 Ų12364.1 Ų64.157%0.56932%0.323SS*.Hα-helixtrans-68.3-43.4178.3-62.9-49.3000111.3A80 K85 L86 L87A80-H83 PolarHBondContact O-N 3.5Å; H83-K85 PolarHBondContact O-N 3.23Å; H83-L86 PolarHBondContact O-N 2.95Å; H83-L87 WeakPolarHBondContact O-CB 3.4Å; H83-L87 PolarHBondContact O-N 3.43Å
84V94.9Very high94.1Very high1 Ų165.4 Ų65.41%0.00633%0.334CS..Hα-helixtrans-62.6-42177.2-176.20000111.4V72 Y73 F76 E79 A80 L87 H88V72-V84 HydrophobicContact CG1-CG1 3.56Å; Y73-V84 HydrophobicContact CD1-CB 4.42Å; Y73-V84 HydrophobicContact CD1-CG1 3.44Å; Y73-V84 VanDerWaalsContact CD1-CG1 3.44Å; Y73-V84 HydrophobicContact CD2-CG1 4.28Å; Y73-V84 HydrophobicContact CE1-CB 4.32Å; Y73-V84 HydrophobicContact CE1-CG1 3.69Å; Y73-V84 HydrophobicContact CE2-CG1 4.49Å; Y73-V84 HydrophobicContact CG-CG1 3.77Å; F76-V84 HydrophobicContact CB-CG2 3.98Å; F76-V84 WeakPolarHBondContact O-CG2 3.48Å; E79-V84 HydrophobicContact CB-CG2 3.65Å; A80-V84 PolarHBondContact O-N 3.46Å; V84-L87 PolarHBondContact O-N 3.38Å; V84-H88 VanDerWaalsContact O-CB 3.31Å; V84-H88 WeakPolarHBondContact O-CB 3.33Å; V84-H88 PolarHBondContact O-N 2.85Å
85K94.2Very high94.4Very high51 Ų5164.2 Ų64.222%0.22233%0.329CS..Hα-helixtrans-57.8-47.5172.1-86.3176.5174.1-162.70112.6Y73 K81 H83 G89 F144 L145Y73-K85 HydrophobicContact CE1-CG 4.35Å; Y73-K85 WeakPolarHBondContact OH-CA 3.43Å; Y73-K85 WeakPolarHBondContact OH-CG 3.31Å; K81-K85 HydrophobicContact CG-CD 4.5Å; K81-K85 WeakPolarHBondContact O-CB 3.39Å; K81-K85 WeakPolarHBondContact O-CG 3.49Å; K81-K85 PolarHBondContact O-N 3.19Å; H83-K85 PolarHBondContact O-N 3.23Å; K85-G89 PolarHBondContact O-N 2.95Å; K85-F144 PolarHBondContact NZ-O 3.13Å; K85-L145 HydrophobicContact CB-CD1 4.18Å
86L96.3Very high94.6Very high85 Ų8562 Ų6245%0.44532%0.315SS..Hα-helixtrans-64.7-45.5-179.9-177.564000110.9K82 H83 G89 I90K82-L86 WeakPolarHBondContact O-CB 3.3Å; K82-L86 PolarHBondContact O-N 3.09Å; H83-L86 PolarHBondContact O-N 2.95Å; L86-G89 PolarHBondContact O-N 2.7Å; L86-I90 HydrophobicContact CD1-CD1 3.89Å; L86-I90 HydrophobicContact CD1-CG1 4.2Å; L86-I90 HydrophobicContact CD2-CD1 4.35Å; L86-I90 HydrophobicContact CG-CD1 3.72Å; L86-I90 HydrophobicContact CG-CG1 4.38Å; L86-I90 WeakPolarHBondContact O-CB 3.31Å; L86-I90 VanDerWaalsContact O-CG1 3.31Å; L86-I90 WeakPolarHBondContact O-CG1 3.47Å; L86-I90 PolarHBondContact O-N 3.38Å
87L97.1Very high94.9Very high63 Ų6361.6 Ų61.633%0.3332%0.317SS..Hα-helixtrans-59.6-49177.7-176.962000111.5V72 F76 H83 V84 G89 I90 I91V72-L87 HydrophobicContact CG1-CB 4.26Å; V72-L87 HydrophobicContact CG1-CD2 3.94Å; V72-L87 HydrophobicContact CG1-CG 4.17Å; V72-L87 HydrophobicContact CG2-CD2 4.07Å; V72-L87 HydrophobicContact CG2-CG 4.16Å; F76-L87 HydrophobicContact CD2-CD2 3.91Å; F76-L87 HydrophobicContact CE2-CD2 3.78Å; F76-L87 HydrophobicContact CZ-CD2 4.43Å; H83-L87 WeakPolarHBondContact O-CB 3.4Å; H83-L87 PolarHBondContact O-N 3.43Å; V84-L87 PolarHBondContact O-N 3.38Å; L87-G89 VanDerWaalsContact C-N 3.34Å; L87-G89 PolarHBondContact O-N 3.15Å; L87-I90 PolarHBondContact O-N 3.35Å; L87-I91 HydrophobicContact CD1-CD1 3.77Å; L87-I91 HydrophobicContact CD1-CG1 4.1Å; L87-I91 HydrophobicContact CG-CD1 3.83Å; L87-I91 HydrophobicContact CG-CG1 4.48Å; L87-I91 VanDerWaalsContact O-CG1 3.31Å; L87-I91 WeakPolarHBondContact O-CG1 3.3Å; L87-I91 PolarHBondContact O-N 3.44Å
88H97.8Very high95.5Very high27 Ų2761.7 Ų61.713%0.12531%0.314CS..Hα-helixtrans-54.4-48.3174.4171.984.6000112A69 V72 Y73 V84 H92 H161A69-H88 PolarHBondContact O-ND1 3.01Å; V72-H88 HydrophobicContact CG1-CB 4.31Å; Y73-H88 HydrophobicContact CE2-CB 3.82Å; Y73-H88 AromaticContact CE2-CG 3.7Å; Y73-H88 AromaticContact CE2-ND1 3.89Å; V84-H88 VanDerWaalsContact O-CB 3.31Å; V84-H88 WeakPolarHBondContact O-CB 3.33Å; V84-H88 PolarHBondContact O-N 2.85Å; H88-H92 AromaticContact CD2-CD2 3.84Å; H88-H92 AromaticContact CE1-CD2 3.33Å; H88-H92 PolarHBondContact CE1-CD2 2.72Å; H88-H92 AromaticContact CE1-NE2 2.92Å; H88-H92 PolarHBondContact CE1-NE2 3.37Å; H88-H92 AromaticContact CG-CD2 3.97Å; H88-H92 AromaticContact ND1-CD2 3.66Å; H88-H92 AromaticContact ND1-NE2 3.42Å; H88-H92 PolarHBondContact ND1-NE2 3.29Å; H88-H92 AromaticContact NE2-CD2 3.45Å; H88-H92 PolarHBondContact NE2-CD2 3.07Å; H88-H92 AromaticContact NE2-NE2 3.5Å; H88-H92 PolarHBondContact NE2-NE2 2.9Å; H88-H92 PolarHBondContact O-CD2 2.96Å; H88-H92 PolarHBondContact O-N 3.44Å; H88-H92 VanDerWaalsContact O-N 3.15Å; H88-H161 AromaticContact NE2-NE2 3.97Å
89G97.6Very high96.1Very high12 Ų1254.4 Ų54.412%0.12428%0.275CS..Hα-helixtrans-64.5-41.1178.800000113.8K85 L86 L87 L93 W137K85-G89 PolarHBondContact O-N 2.95Å; L86-G89 PolarHBondContact O-N 2.7Å; L87-G89 VanDerWaalsContact C-N 3.34Å; L87-G89 PolarHBondContact O-N 3.15Å; G89-L93 WeakPolarHBondContact O-CB 3.38Å; G89-L93 PolarHBondContact O-N 2.91Å; G89-W137 PolarHBondContact O-NE1 3.24Å
90I98.3Very high96.5Very high79 Ų7953.3 Ų53.341%0.40527%0.272SS..Hα-helixtrans-67.8-45.6179.2-70.8171.5000111L86 L87 H92 L93 L94L86-I90 HydrophobicContact CD1-CD1 3.89Å; L86-I90 HydrophobicContact CD1-CG1 4.2Å; L86-I90 HydrophobicContact CD2-CD1 4.35Å; L86-I90 HydrophobicContact CG-CD1 3.72Å; L86-I90 HydrophobicContact CG-CG1 4.38Å; L86-I90 WeakPolarHBondContact O-CB 3.31Å; L86-I90 VanDerWaalsContact O-CG1 3.31Å; L86-I90 WeakPolarHBondContact O-CG1 3.47Å; L86-I90 PolarHBondContact O-N 3.38Å; L87-I90 PolarHBondContact O-N 3.35Å; I90-H92 VanDerWaalsContact C-N 3.35Å; I90-H92 PolarHBondContact O-N 2.98Å; I90-L93 WeakPolarHBondContact O-CB 3.4Å; I90-L93 PolarHBondContact O-N 3.33Å; I90-L93 VanDerWaalsContact O-N 3.13Å; I90-L94 HydrophobicContact CG2-CD1 4.17Å; I90-L94 HydrophobicContact CG2-CG 4.44Å; I90-L94 WeakPolarHBondContact O-CG 3.49Å; I90-L94 PolarHBondContact O-N 3.38Å
91I98.6Very high96.9Very high27 Ų2754.2 Ų54.214%0.13827%0.269CS..Hα-helixtrans-63.8-42.7-179.8-61.9170.4000110.2L65 A69 V72 L87 L93 L94 A95L65-I91 HydrophobicContact CB-CG2 4.09Å; L65-I91 HydrophobicContact CD2-CG2 4.3Å; L65-I91 WeakPolarHBondContact O-CG2 3.49Å; A69-I91 HydrophobicContact CB-CB 3.92Å; A69-I91 HydrophobicContact CB-CG2 3.74Å; V72-I91 HydrophobicContact CG2-CD1 3.83Å; L87-I91 HydrophobicContact CD1-CD1 3.77Å; L87-I91 HydrophobicContact CD1-CG1 4.1Å; L87-I91 HydrophobicContact CG-CD1 3.83Å; L87-I91 HydrophobicContact CG-CG1 4.48Å; L87-I91 VanDerWaalsContact O-CG1 3.31Å; L87-I91 WeakPolarHBondContact O-CG1 3.3Å; L87-I91 PolarHBondContact O-N 3.44Å; I91-L93 VanDerWaalsContact C-N 3.31Å; I91-L93 PolarHBondContact O-N 2.86Å; I91-L94 PolarHBondContact O-N 3.43Å; I91-A95 WeakPolarHBondContact O-CB 3.21Å; I91-A95 PolarHBondContact O-N 3.3Å
92H98.7Very high97.4Very high19 Ų1951.8 Ų51.89%0.08826%0.258CS..Hα-helixtrans-63.4-34.7173.4-76.3-56.2000113.1H66 A69 H88 I90 A95 L96 F133H66-H92 AromaticContact CE1-CE1 3.71Å; H66-H92 AromaticContact ND1-CE1 3.12Å; H66-H92 PolarHBondContact ND1-CE1 2.99Å; H66-H92 AromaticContact ND1-ND1 3.49Å; H66-H92 PolarHBondContact ND1-ND1 3.47Å; A69-H92 WeakPolarHBondContact CB-CE1 3.41Å; A69-H92 WeakPolarHBondContact CB-NE2 3.5Å; H88-H92 AromaticContact CD2-CD2 3.84Å; H88-H92 AromaticContact CE1-CD2 3.33Å; H88-H92 PolarHBondContact CE1-CD2 2.72Å; H88-H92 AromaticContact CE1-NE2 2.92Å; H88-H92 PolarHBondContact CE1-NE2 3.37Å; H88-H92 AromaticContact CG-CD2 3.97Å; H88-H92 AromaticContact ND1-CD2 3.66Å; H88-H92 AromaticContact ND1-NE2 3.42Å; H88-H92 PolarHBondContact ND1-NE2 3.29Å; H88-H92 AromaticContact NE2-CD2 3.45Å; H88-H92 PolarHBondContact NE2-CD2 3.07Å; H88-H92 AromaticContact NE2-NE2 3.5Å; H88-H92 PolarHBondContact NE2-NE2 2.9Å; H88-H92 PolarHBondContact O-CD2 2.96Å; H88-H92 PolarHBondContact O-N 3.44Å; H88-H92 VanDerWaalsContact O-N 3.15Å; I90-H92 VanDerWaalsContact C-N 3.35Å; I90-H92 PolarHBondContact O-N 2.98Å; H92-A95 WeakPolarHBondContact O-CB 3.35Å; H92-A95 PolarHBondContact O-N 2.89Å; H92-L96 WeakPolarHBondContact O-CB 3.4Å; H92-L96 PolarHBondContact O-N 3.25Å; H92-F133 HydrophobicContact CB-CE1 4.5Å; H92-F133 HydrophobicContact CB-CZ 4.43Å; H92-F133 AromaticContact ND1-CZ 3.57Å
93L98.6Very high97.8Very high62 Ų6245.1 Ų45.133%0.32523%0.231SC..Hα-helixtrans-65.2-45175.1178.357.8000111.3G89 I90 I91 A95 L96 I97 W137G89-L93 WeakPolarHBondContact O-CB 3.38Å; G89-L93 PolarHBondContact O-N 2.91Å; I90-L93 WeakPolarHBondContact O-CB 3.4Å; I90-L93 PolarHBondContact O-N 3.33Å; I90-L93 VanDerWaalsContact O-N 3.13Å; I91-L93 VanDerWaalsContact C-N 3.31Å; I91-L93 PolarHBondContact O-N 2.86Å; L93-A95 VanDerWaalsContact C-N 3.33Å; L93-A95 PolarHBondContact O-N 3.09Å; L93-L96 PolarHBondContact O-N 3.34Å; L93-I97 HydrophobicContact CD1-CD1 4.05Å; L93-I97 HydrophobicContact CD1-CG1 4.23Å; L93-I97 HydrophobicContact CG-CD1 3.98Å; L93-I97 WeakPolarHBondContact O-CG1 3.29Å; L93-I97 PolarHBondContact O-N 3.2Å; L93-W137 HydrophobicContact CB-CZ2 3.7Å; L93-W137 HydrophobicContact CD1-CH2 3.79Å; L93-W137 HydrophobicContact CD1-CZ2 3.67Å; L93-W137 HydrophobicContact CD1-CZ3 4.45Å; L93-W137 HydrophobicContact CD2-CH2 4.32Å; L93-W137 HydrophobicContact CD2-CZ2 3.93Å; L93-W137 HydrophobicContact CG-CH2 4.46Å; L93-W137 HydrophobicContact CG-CZ2 3.95Å
94L98.8Very high98Very high89 Ų8942.1 Ų42.147%0.46622%0.221SC..Hα-helixtrans-60.6-44.7175.2-68.2173.6000111I90 I91 L96 I97 I98I90-L94 HydrophobicContact CG2-CD1 4.17Å; I90-L94 HydrophobicContact CG2-CG 4.44Å; I90-L94 WeakPolarHBondContact O-CG 3.49Å; I90-L94 PolarHBondContact O-N 3.38Å; I91-L94 PolarHBondContact O-N 3.43Å; L94-L96 VanDerWaalsContact C-N 3.33Å; L94-L96 PolarHBondContact O-N 2.98Å; L94-I97 PolarHBondContact O-N 2.98Å; L94-I98 WeakPolarHBondContact O-CB 3.31Å; L94-I98 VanDerWaalsContact O-CG1 3.3Å; L94-I98 WeakPolarHBondContact O-CG1 3.36Å; L94-I98 PolarHBondContact O-N 3.1Å
95A98.8Very high98.2Very high0 Ų042 Ų420%022%0.221CC..Hα-helixtrans-56.5-46.2173.900000111.7G61 L65 I91 H92 L93 S99 F133G61-A95 WeakPolarHBondContact O-CB 3.11Å; L65-A95 HydrophobicContact CB-CB 3.9Å; I91-A95 WeakPolarHBondContact O-CB 3.21Å; I91-A95 PolarHBondContact O-N 3.3Å; H92-A95 WeakPolarHBondContact O-CB 3.35Å; H92-A95 PolarHBondContact O-N 2.89Å; L93-A95 VanDerWaalsContact C-N 3.33Å; L93-A95 PolarHBondContact O-N 3.09Å; A95-S99 WeakPolarHBondContact O-CB 3.48Å; A95-S99 PolarHBondContact O-N 3.15Å; A95-S99 PolarHBondContact O-OG 3.3Å; A95-F133 HydrophobicContact CB-CE1 4.44Å; A95-F133 HydrophobicContact CB-CZ 4.09Å
96L98.8Very high98.4Very high12 Ų1240.5 Ų40.56%0.06322%0.216CC..Hα-helixtrans-63-46.4178.6178.459.7000111.9H92 L93 L94 S99 I100 L130 F133 C134H92-L96 WeakPolarHBondContact O-CB 3.4Å; H92-L96 PolarHBondContact O-N 3.25Å; L93-L96 PolarHBondContact O-N 3.34Å; L94-L96 VanDerWaalsContact C-N 3.33Å; L94-L96 PolarHBondContact O-N 2.98Å; L96-S99 PolarHBondContact O-N 2.81Å; L96-I100 HydrophobicContact CD1-CD1 3.98Å; L96-I100 HydrophobicContact CD1-CG1 4.23Å; L96-I100 HydrophobicContact CG-CD1 3.97Å; L96-I100 VanDerWaalsContact O-CG1 3.32Å; L96-I100 WeakPolarHBondContact O-CG1 3.39Å; L96-I100 PolarHBondContact O-N 2.95Å; L96-L130 HydrophobicContact CD1-CD1 3.78Å; L96-F133 HydrophobicContact CB-CD1 4.28Å; L96-F133 HydrophobicContact CB-CE1 4.05Å; L96-F133 HydrophobicContact CD1-CD1 4.17Å; L96-C134 HydrophobicContact CD1-CB 4.17Å; L96-C134 HydrophobicContact CD2-CB 4.33Å
97I98.8Very high98.5Very high81 Ų8139.5 Ų39.542%0.41521%0.208SC..Hα-helixtrans-60.3-49.5178.7-68.8167000110.6L93 L94 S99 I100 I101L93-I97 HydrophobicContact CD1-CD1 4.05Å; L93-I97 HydrophobicContact CD1-CG1 4.23Å; L93-I97 HydrophobicContact CG-CD1 3.98Å; L93-I97 WeakPolarHBondContact O-CG1 3.29Å; L93-I97 PolarHBondContact O-N 3.2Å; L94-I97 PolarHBondContact O-N 2.98Å; I97-S99 VanDerWaalsContact C-N 3.26Å; I97-S99 PolarHBondContact O-N 3.36Å; I97-I100 PolarHBondContact O-N 3.38Å; I97-I101 HydrophobicContact CG2-CD1 4.09Å; I97-I101 WeakPolarHBondContact O-CG1 3.43Å; I97-I101 PolarHBondContact O-N 3.35Å
98I98.8Very high98.5Very high38 Ų3839.2 Ų39.220%0.19521%0.207CC..Hα-helixtrans-60.3-39.7178.7-69165.6000110.8C57 L60 L65 L94 I101 G102C57-I98 HydrophobicContact CB-CG2 3.96Å; C57-I98 WeakPolarHBondContact CB-O 3.42Å; L60-I98 HydrophobicContact CD2-CD1 4.19Å; L60-I98 HydrophobicContact CD2-CG2 4.36Å; L60-I98 HydrophobicContact CG-CD1 4.39Å; L60-I98 HydrophobicContact CG-CG2 4.48Å; L65-I98 HydrophobicContact CD1-CD1 3.58Å; L94-I98 WeakPolarHBondContact O-CB 3.31Å; L94-I98 VanDerWaalsContact O-CG1 3.3Å; L94-I98 WeakPolarHBondContact O-CG1 3.36Å; L94-I98 PolarHBondContact O-N 3.1Å; I98-I101 WeakPolarHBondContact O-CB 3.33Å; I98-I101 PolarHBondContact O-N 3.01Å; I98-G102 PolarHBondContact O-N 3.38Å
99S98.8Very high98.5Very high0 Ų039.5 Ų39.50%021%0.208CC..Hα-helixtrans-68.2-39.6178.5-52.90000111.9M58 L62 A95 L96 I97 I101 G102 V103M58-S99 VanDerWaalsContact CE-O 3.25Å; M58-S99 WeakPolarHBondContact CE-O 3.48Å; L62-S99 VanDerWaalsContact CD2-OG 3.25Å; L62-S99 WeakPolarHBondContact CD2-OG 2.98Å; L62-S99 VanDerWaalsContact CG-OG 3.23Å; L62-S99 WeakPolarHBondContact CG-OG 3.34Å; A95-S99 WeakPolarHBondContact O-CB 3.48Å; A95-S99 PolarHBondContact O-N 3.15Å; A95-S99 PolarHBondContact O-OG 3.3Å; L96-S99 PolarHBondContact O-N 2.81Å; I97-S99 VanDerWaalsContact C-N 3.26Å; I97-S99 PolarHBondContact O-N 3.36Å; S99-I101 VanDerWaalsContact C-N 3.32Å; S99-I101 PolarHBondContact O-N 3.49Å; S99-G102 PolarHBondContact O-N 3.05Å; S99-V103 PolarHBondContact O-N 3.21Å
100I98.8Very high98.6Very high80 Ų8040.5 Ų40.541%0.4121%0.209SC..Hα-helixtrans-61-44173.6-70.2165.9000110.2L96 I97 G102 V103 V104L96-I100 HydrophobicContact CD1-CD1 3.98Å; L96-I100 HydrophobicContact CD1-CG1 4.23Å; L96-I100 HydrophobicContact CG-CD1 3.97Å; L96-I100 VanDerWaalsContact O-CG1 3.32Å; L96-I100 WeakPolarHBondContact O-CG1 3.39Å; L96-I100 PolarHBondContact O-N 2.95Å; I97-I100 PolarHBondContact O-N 3.38Å; I100-G102 VanDerWaalsContact C-N 3.33Å; I100-G102 PolarHBondContact O-N 2.86Å; I100-V103 PolarHBondContact O-N 3.46Å; I100-V103 VanDerWaalsContact O-N 3.17Å; I100-V104 HydrophobicContact CG2-CG2 4.24Å; I100-V104 WeakPolarHBondContact O-CG2 3.21Å; I100-V104 PolarHBondContact O-N 3.5Å
101I98.8Very high98.6Very high72 Ų7245.2 Ų45.237%0.36922%0.222SC..Hα-helixtrans-56.5-48176-67.6166.4000110.8W44 I97 I98 S99 V103 V104 A105W44-I101 HydrophobicContact CH2-CG2 4.15Å; W44-I101 HydrophobicContact CZ3-CG2 3.75Å; I97-I101 HydrophobicContact CG2-CD1 4.09Å; I97-I101 WeakPolarHBondContact O-CG1 3.43Å; I97-I101 PolarHBondContact O-N 3.35Å; I98-I101 WeakPolarHBondContact O-CB 3.33Å; I98-I101 PolarHBondContact O-N 3.01Å; S99-I101 VanDerWaalsContact C-N 3.32Å; S99-I101 PolarHBondContact O-N 3.49Å; I101-V103 VanDerWaalsContact C-N 3.32Å; I101-V103 PolarHBondContact O-N 3.05Å; I101-V104 PolarHBondContact O-N 3.24Å; I101-A105 PolarHBondContact O-N 2.93Å
102G98.7Very high98.5Very high0 Ų046.9 Ų46.90%024%0.239CC..Hα-helixtrans-64.6-32.4178.700000114H54 I98 S99 I100H54-G102 WeakPolarHBondContact CB-O 3.37Å; H54-G102 PolarHBondContact ND1-O 3.43Å; I98-G102 PolarHBondContact O-N 3.38Å; S99-G102 PolarHBondContact O-N 3.05Å; I100-G102 VanDerWaalsContact C-N 3.33Å; I100-G102 PolarHBondContact O-N 2.86Å
103V98.6Very high98.4Very high27 Ų2748.2 Ų48.216%0.16425%0.254CS..Hα-helixtrans-73.2-43.2174.4170.10000111.1M58 S99 I100 I101 A105 V106 F107 L130M58-V103 HydrophobicContact CE-CG2 4.11Å; S99-V103 PolarHBondContact O-N 3.21Å; I100-V103 PolarHBondContact O-N 3.46Å; I100-V103 VanDerWaalsContact O-N 3.17Å; I101-V103 VanDerWaalsContact C-N 3.32Å; I101-V103 PolarHBondContact O-N 3.05Å; V103-A105 VanDerWaalsContact C-N 3.28Å; V103-A105 PolarHBondContact O-N 2.91Å; V103-V106 WeakPolarHBondContact O-CG1 3.37Å; V103-V106 PolarHBondContact O-N 3.38Å; V103-F107 HydrophobicContact CG1-CD2 3.65Å; V103-F107 HydrophobicContact CG1-CE2 3.57Å; V103-F107 VanDerWaalsContact O-CD2 3.31Å; V103-F107 WeakPolarHBondContact O-CD2 3.25Å; V103-F107 PolarHBondContact O-N 2.95Å; V103-L130 HydrophobicContact CB-CD2 4.33Å; V103-L130 HydrophobicContact CG2-CD2 3.82Å
104V98.7Very high98.4Very high59 Ų5954.4 Ų54.436%0.35828%0.278SS..Hα-helixtrans-57-45.2175.7171.80000110.6W44 I100 I101 V106 F107 D108W44-V104 HydrophobicContact CH2-CB 4.33Å; W44-V104 HydrophobicContact CH2-CG1 3.97Å; W44-V104 HydrophobicContact CZ2-CG1 3.8Å; I100-V104 HydrophobicContact CG2-CG2 4.24Å; I100-V104 WeakPolarHBondContact O-CG2 3.21Å; I100-V104 PolarHBondContact O-N 3.5Å; I101-V104 PolarHBondContact O-N 3.24Å; V104-V106 VanDerWaalsContact C-N 3.31Å; V104-V106 PolarHBondContact O-N 3.47Å; V104-F107 PolarHBondContact O-N 3.49Å; V104-F107 VanDerWaalsContact O-N 3.12Å; V104-D108 PolarHBondContact O-N 3.33Å
105A98.6Very high98.3Very high0 Ų052.9 Ų52.90%027%0.27CS..Hα-helixtrans-57-38.6179.200000113.8W44 E50 L53 I101 V103 F109W44-A105 HydrophobicContact CH2-CB 4.26Å; W44-A105 HydrophobicContact CZ3-CB 4.12Å; E50-A105 HydrophobicContact CG-CB 3.92Å; L53-A105 HydrophobicContact CB-CB 4.11Å; L53-A105 HydrophobicContact CD1-CB 4.43Å; I101-A105 PolarHBondContact O-N 2.93Å; V103-A105 VanDerWaalsContact C-N 3.28Å; V103-A105 PolarHBondContact O-N 2.91Å; A105-F109 VanDerWaalsContact O-CB 3.32Å; A105-F109 WeakPolarHBondContact O-CB 3.41Å; A105-F109 PolarHBondContact O-N 2.94Å
106V98.1Very high98.2Very high19 Ų1957.2 Ų57.212%0.11530%0.298CS..Hα-helixtrans-73.7-37.4177.162.90000112.3F51 H54 V103 V104 F109 H110F51-V106 HydrophobicContact CD2-CB 4.37Å; F51-V106 HydrophobicContact CD2-CG2 3.86Å; F51-V106 HydrophobicContact CE2-CG2 3.82Å; H54-V106 HydrophobicContact CB-CB 4.33Å; V103-V106 WeakPolarHBondContact O-CG1 3.37Å; V103-V106 PolarHBondContact O-N 3.38Å; V104-V106 VanDerWaalsContact C-N 3.31Å; V104-V106 PolarHBondContact O-N 3.47Å; V106-F109 PolarHBondContact O-N 2.94Å; V106-H110 WeakPolarHBondContact O-CB 3.37Å; V106-H110 VanDerWaalsContact O-CG 3.27Å; V106-H110 PolarHBondContact O-N 3.32Å
107F98.3Very high98.1Very high64 Ų6459.4 Ų59.428%0.28131%0.31SS..Hα-helixtrans-65.8-40.2175.3-85.8-77.7000112V103 V104 H110 R111 D117 M118V103-F107 HydrophobicContact CG1-CD2 3.65Å; V103-F107 HydrophobicContact CG1-CE2 3.57Å; V103-F107 VanDerWaalsContact O-CD2 3.31Å; V103-F107 WeakPolarHBondContact O-CD2 3.25Å; V103-F107 PolarHBondContact O-N 2.95Å; V104-F107 PolarHBondContact O-N 3.49Å; V104-F107 VanDerWaalsContact O-N 3.12Å; F107-H110 PolarHBondContact O-N 3.39Å; F107-R111 WeakPolarHBondContact O-CB 3.4Å; F107-R111 PolarHBondContact O-N 2.94Å; F107-D117 HydrophobicContact CD1-CB 4.23Å; F107-D117 VanDerWaalsContact CD1-CG 3.47Å; F107-D117 WeakPolarHBondContact CD1-OD1 3.37Å; F107-D117 WeakPolarHBondContact CD1-OD2 3.32Å; F107-D117 HydrophobicContact CE1-CB 3.77Å; F107-M118 HydrophobicContact CE1-CG 4.42Å; F107-M118 HydrophobicContact CZ-CG 4.17Å; F107-M118 HydrophobicContact CZ-SD 3.95Å
108D98.3Very high98Very high57 Ų5758.7 Ų58.731%0.30531%0.305SS..Hα-helixtrans-67.9-43.5177.3-78-13.1000111.1E50 V104 R111 A112E50-D108 WeakPolarHBondContact OE1-CB 3.39Å; V104-D108 PolarHBondContact O-N 3.33Å; D108-R111 PolarHBondContact O-N 3.36Å; D108-A112 WeakPolarHBondContact O-CB 3.47Å; D108-A112 PolarHBondContact O-N 2.92Å
109F98.1Very high98Very high33 Ų3363 Ų6315%0.14532%0.32CS..Hα-helixtrans-57.8-49.8171167.1-109.3000112.6S47 A48 F51 A105 V106 R111 A112 A113 I115S47-F109 VanDerWaalsContact O-CD2 3.28Å; S47-F109 WeakPolarHBondContact O-CD2 3.31Å; A48-F109 HydrophobicContact CB-CE2 4.35Å; F51-F109 HydrophobicContact CB-CB 4.23Å; F51-F109 HydrophobicContact CB-CD1 3.8Å; F51-F109 HydrophobicContact CB-CD2 4.25Å; F51-F109 HydrophobicContact CB-CE1 4.22Å; F51-F109 HydrophobicContact CB-CG 3.81Å; F51-F109 AromaticContact CD2-CD1 3.7Å; F51-F109 HydrophobicContact CD2-CD1 3.7Å; F51-F109 HydrophobicContact CD2-CE1 4.02Å; F51-F109 HydrophobicContact CD2-CG 4.49Å; F51-F109 HydrophobicContact CG-CD1 4.13Å; F51-F109 HydrophobicContact CG-CE1 4.33Å; A105-F109 VanDerWaalsContact O-CB 3.32Å; A105-F109 WeakPolarHBondContact O-CB 3.41Å; A105-F109 PolarHBondContact O-N 2.94Å; V106-F109 PolarHBondContact O-N 2.94Å; F109-R111 VanDerWaalsContact C-N 3.32Å; F109-R111 PolarHBondContact O-N 3.08Å; F109-A112 PolarHBondContact O-N 3.23Å; F109-A113 HydrophobicContact CE2-CB 4.12Å; F109-A113 HydrophobicContact CZ-CB 4.26Å; F109-A113 VanDerWaalsContact O-CB 3.28Å; F109-A113 WeakPolarHBondContact O-CB 3.5Å; F109-A113 PolarHBondContact O-N 3.4Å; F109-I115 HydrophobicContact CE1-CD1 3.85Å; F109-I115 HydrophobicContact CZ-CD1 4.04Å
110H98.2Very high98Very high32 Ų3263.9 Ų63.915%0.14833%0.326CS..Hα-helixtrans-60.9-41.4179.4-76.5176.9000112.1V106 F107 A113 K114 I115 D117V106-H110 WeakPolarHBondContact O-CB 3.37Å; V106-H110 VanDerWaalsContact O-CG 3.27Å; V106-H110 PolarHBondContact O-N 3.32Å; F107-H110 PolarHBondContact O-N 3.39Å; H110-A113 CarbonylContact O-C 3.55Å; H110-A113 PolarHBondContact O-N 3.46Å; H110-K114 WeakPolarHBondContact O-CA 3.36Å; H110-K114 PolarHBondContact O-N 3.15Å; H110-I115 HydrophobicContact CB-CB 4.21Å; H110-I115 PolarHBondContact O-N 2.92Å; H110-D117 VanDerWaalsContact CB-OD1 3.23Å; H110-D117 WeakPolarHBondContact CB-OD1 3.25Å; H110-D117 IonicContact CE1-OD1 3.91Å; H110-D117 IonicContact CG-OD1 2.6Å; H110-D117 IonicContact ND1-OD1 2.85Å; H110-D117 PolarHBondContact ND1-OD1 2.93Å
111R98.2Very high97.9Very high179 Ų17965.3 Ų65.368%0.67533%0.334SS*.Hα-helixtrans-60.4-47.1175.5-175.9-174.2-56.8-78.8-7.4111.6F107 D108 F109 K114F107-R111 WeakPolarHBondContact O-CB 3.4Å; F107-R111 PolarHBondContact O-N 2.94Å; D108-R111 PolarHBondContact O-N 3.36Å; F109-R111 VanDerWaalsContact C-N 3.32Å; F109-R111 PolarHBondContact O-N 3.08Å; R111-K114 PolarHBondContact O-N 3.2Å
112A97.8Very high97.9Very high61 Ų6163.4 Ų63.450%0.50432%0.324SS..Hα-helixtrans-65.2-41.617900000111.9G46 D108 F109 K114G46-A112 WeakPolarHBondContact O-CB 3.26Å; D108-A112 WeakPolarHBondContact O-CB 3.47Å; D108-A112 PolarHBondContact O-N 2.92Å; F109-A112 PolarHBondContact O-N 3.23Å; A112-K114 VanDerWaalsContact C-N 3.32Å; A112-K114 PolarHBondContact O-N 2.95Å
113A96.8Very high97.9Very high48 Ų4864.4 Ų64.440%0.39733%0.33SS..Hα-helixtrans-82.2-4-18000000114.2F109 H110 I115F109-A113 HydrophobicContact CE2-CB 4.12Å; F109-A113 HydrophobicContact CZ-CB 4.26Å; F109-A113 VanDerWaalsContact O-CB 3.28Å; F109-A113 WeakPolarHBondContact O-CB 3.5Å; F109-A113 PolarHBondContact O-N 3.4Å; H110-A113 CarbonylContact O-C 3.55Å; H110-A113 PolarHBondContact O-N 3.46Å; A113-I115 VanDerWaalsContact C-N 3.27Å; A113-I115 HydrophobicContact CB-CD1 3.7Å; A113-I115 HydrophobicContact CB-CG1 3.85Å; A113-I115 PolarHBondContact O-N 3.07Å
114K97.7Very high97.9Very high191 Ų19170.8 Ų70.883%0.8335%0.352SS*.THydrogen-bonded Turntrans56.737.5-175.3-54.7176.6-177174.40113.3H110 R111 A112H110-K114 WeakPolarHBondContact O-CA 3.36Å; H110-K114 PolarHBondContact O-N 3.15Å; R111-K114 PolarHBondContact O-N 3.2Å; A112-K114 VanDerWaalsContact C-N 3.32Å; A112-K114 PolarHBondContact O-N 2.95Å
115I96.1Very high97.9Very high57 Ų5770 Ų7029%0.29235%0.348SS..PPolyproline II helixtrans-90.2135.6175.2-60.9170.9000107.9F109 H110 A113 Y119F109-I115 HydrophobicContact CE1-CD1 3.85Å; F109-I115 HydrophobicContact CZ-CD1 4.04Å; H110-I115 HydrophobicContact CB-CB 4.21Å; H110-I115 PolarHBondContact O-N 2.92Å; A113-I115 VanDerWaalsContact C-N 3.27Å; A113-I115 HydrophobicContact CB-CD1 3.7Å; A113-I115 HydrophobicContact CB-CG1 3.85Å; A113-I115 PolarHBondContact O-N 3.07Å; I115-Y119 HydrophobicContact CG2-CE1 4.39Å
116P97.1Very high97.9Very high91 Ų9171 Ų7159%0.59136%0.358SS*.PPolyproline II helixtrans-65.5139.1174.226.9-33.6000111.1Y119P116-Y119 HydrophobicContact CB-CD1 4.49Å; P116-Y119 HydrophobicContact CG-CD1 4.11Å; P116-Y119 HydrophobicContact CG-CE1 4.33Å; P116-Y119 WeakPolarHBondContact O-CD1 3.31Å; P116-Y119 VanDerWaalsContact O-CE1 3.29Å; P116-Y119 WeakPolarHBondContact O-CE1 3.48Å
117D97.2Very high97.9Very high58 Ų5872.2 Ų72.231%0.3137%0.366SS..SBendtrans-82.1161.5174.8-67.7-52.7000112.3F107 H110 Y119F107-D117 HydrophobicContact CD1-CB 4.23Å; F107-D117 VanDerWaalsContact CD1-CG 3.47Å; F107-D117 WeakPolarHBondContact CD1-OD1 3.37Å; F107-D117 WeakPolarHBondContact CD1-OD2 3.32Å; F107-D117 HydrophobicContact CE1-CB 3.77Å; H110-D117 VanDerWaalsContact CB-OD1 3.23Å; H110-D117 WeakPolarHBondContact CB-OD1 3.25Å; H110-D117 IonicContact CE1-OD1 3.91Å; H110-D117 IonicContact CG-OD1 2.6Å; H110-D117 IonicContact ND1-OD1 2.85Å; H110-D117 PolarHBondContact ND1-OD1 2.93Å; D117-Y119 VanDerWaalsContact C-N 3.32Å; D117-Y119 PolarHBondContact O-N 3.29Å; D117-Y119 VanDerWaalsContact O-N 3.15Å
118M97.3Very high98Very high66 Ų6670.8 Ų70.833%0.32537%0.366SS..SBendtrans56.832162.9-59.3-55.4-61.200116.4F107 S123 W124 V127F107-M118 HydrophobicContact CE1-CG 4.42Å; F107-M118 HydrophobicContact CZ-CG 4.17Å; F107-M118 HydrophobicContact CZ-SD 3.95Å; M118-S123 WeakPolarHBondContact CA-OG 3.47Å; M118-S123 WeakPolarHBondContact CE-O 3.47Å; M118-W124 PolarHBondContact O-NE1 3.16Å; M118-V127 HydrophobicContact CE-CB 3.81Å; M118-V127 HydrophobicContact CE-CG1 4.42Å; M118-V127 HydrophobicContact CE-CG2 3.46Å; M118-V127 VanDerWaalsContact CE-CG2 3.46Å; M118-V127 HydrophobicContact SD-CG2 3.66Å
119Y97.5Very high98Very high130 Ų13068.2 Ų68.251%0.5135%0.352SS..  trans-98.5-17.917870.7-90.9000114.2I115 P116 D117I115-Y119 HydrophobicContact CG2-CE1 4.39Å; P116-Y119 HydrophobicContact CB-CD1 4.49Å; P116-Y119 HydrophobicContact CG-CD1 4.11Å; P116-Y119 HydrophobicContact CG-CE1 4.33Å; P116-Y119 WeakPolarHBondContact O-CD1 3.31Å; P116-Y119 VanDerWaalsContact O-CE1 3.29Å; P116-Y119 WeakPolarHBondContact O-CE1 3.48Å; D117-Y119 VanDerWaalsContact C-N 3.32Å; D117-Y119 PolarHBondContact O-N 3.29Å; D117-Y119 VanDerWaalsContact O-N 3.15Å
120S98.4Very high98Very high17 Ų1767.8 Ų67.812%0.11935%0.351CS..SBendtrans-95.5153.7-174.582.10000112.8H122 S123 W124 E182S120-H122 VanDerWaalsContact C-N 3.25Å; S120-H122 PolarHBondContact O-N 3.4Å; S120-S123 PolarHBondContact N-OG 3.43Å; S120-S123 PolarHBondContact O-N 3.26Å; S120-S123 VanDerWaalsContact O-N 3.08Å; S120-S123 PolarHBondContact O-OG 3.07Å; S120-S123 PolarHBondContact OG-N 3.02Å; S120-W124 PolarHBondContact O-N 2.93Å; S120-W124 VanDerWaalsContact O-N 3.15Å; S120-E182 VanDerWaalsContact CB-OE1 3.26Å; S120-E182 WeakPolarHBondContact CB-OE1 3.25Å; S120-E182 PolarHBondContact OG-OE1 3.36Å; S120-E182 PolarHBondContact OG-OE2 3.14Å
121L98.6Very high98Very high111 Ų11170.7 Ų70.758%0.58137%0.367SS*.Hα-helixtrans-61.6-37.3175.5-177.863.1000111.3S123 W124 C125 L178L121-S123 VanDerWaalsContact C-N 3.3Å; L121-S123 PolarHBondContact O-N 2.88Å; L121-W124 PolarHBondContact O-N 3Å; L121-C125 WeakPolarHBondContact O-CB 3.29Å; L121-C125 PolarHBondContact O-N 3.02Å; L121-C125 PolarHBondContact O-SG 2.95Å; L121-L178 HydrophobicContact CD2-CD1 4.35Å; L121-L178 HydrophobicContact CG-CD1 4.23Å
122H98.6Very high98.1Very high32 Ų3267.6 Ų67.615%0.14836%0.358CS..Hα-helixtrans-52.9-48.7171.3167.667.4000111.3H54 S120 W124 C125 G126 T175 L178 G179 E182H54-H122 AromaticContact NE2-NE2 3.75Å; S120-H122 VanDerWaalsContact C-N 3.25Å; S120-H122 PolarHBondContact O-N 3.4Å; H122-W124 PolarHBondContact O-N 3.32Å; H122-C125 PolarHBondContact O-N 3.37Å; H122-G126 PolarHBondContact O-N 3.36Å; H122-T175 PolarHBondContact CE1-O 2.89Å; H122-T175 WeakPolarHBondContact ND1-CG2 3.38Å; H122-T175 PolarHBondContact ND1-O 3.24Å; H122-L178 HydrophobicContact CB-CB 3.91Å; H122-G179 WeakPolarHBondContact ND1-CA 3.25Å; H122-G179 PolarHBondContact ND1-N 2.89Å; H122-E182 VanDerWaalsContact CB-CD 3.48Å; H122-E182 VanDerWaalsContact CB-OE1 3.23Å; H122-E182 WeakPolarHBondContact CB-OE1 3.32Å; H122-E182 WeakPolarHBondContact CB-OE2 3.35Å; H122-E182 IonicContact CD2-OE2 3.19Å; H122-E182 IonicContact CG-OE2 3.38Å
123S98.4Very high98.1Very high20 Ų2065 Ų6514%0.1434%0.336CS..Hα-helixtrans-64.2-41.5-178.771.30000112.9M118 S120 L121 G126 V127M118-S123 WeakPolarHBondContact CA-OG 3.47Å; M118-S123 WeakPolarHBondContact CE-O 3.47Å; S120-S123 PolarHBondContact N-OG 3.43Å; S120-S123 PolarHBondContact O-N 3.26Å; S120-S123 VanDerWaalsContact O-N 3.08Å; S120-S123 PolarHBondContact O-OG 3.07Å; S120-S123 PolarHBondContact OG-N 3.02Å; L121-S123 VanDerWaalsContact C-N 3.3Å; L121-S123 PolarHBondContact O-N 2.88Å; S123-G126 PolarHBondContact O-N 3.14Å; S123-V127 PolarHBondContact O-N 2.95Å
124W98.8Very high98.2Very high162 Ų16265.1 Ų65.161%0.61433%0.333SS*.Hα-helixtrans-65.2-47.8178.5-71.618.3000111.5M118 S120 L121 H122 G126 A128M118-W124 PolarHBondContact O-NE1 3.16Å; S120-W124 PolarHBondContact O-N 2.93Å; S120-W124 VanDerWaalsContact O-N 3.15Å; L121-W124 PolarHBondContact O-N 3Å; H122-W124 PolarHBondContact O-N 3.32Å; W124-G126 VanDerWaalsContact C-N 3.34Å; W124-G126 PolarHBondContact O-N 3.36Å; W124-A128 VanDerWaalsContact O-CB 3.32Å; W124-A128 WeakPolarHBondContact O-CB 3.46Å; W124-A128 PolarHBondContact O-N 3.41Å; W124-A128 VanDerWaalsContact O-N 3.08Å
125C98.8Very high98.2Very high42 Ų4260.3 Ų60.328%0.28432%0.316SS..Hα-helixtrans-63.9-39176.2-69.70000111.9L121 H122 T129 T175L121-C125 WeakPolarHBondContact O-CB 3.29Å; L121-C125 PolarHBondContact O-N 3.02Å; L121-C125 PolarHBondContact O-SG 2.95Å; H122-C125 PolarHBondContact O-N 3.37Å; C125-T129 WeakPolarHBondContact O-CB 3.42Å; C125-T129 PolarHBondContact O-N 3.5Å; C125-T129 PolarHBondContact O-OG1 3.33Å; C125-T175 HydrophobicContact CB-CG2 4.43Å
126G98.5Very high98.3Very high20 Ų2058.6 Ų58.621%0.20631%0.307CS..Hα-helixtrans-66.3-48.5179.900000113.5H122 S123 W124 A128 T129 L130H122-G126 PolarHBondContact O-N 3.36Å; S123-G126 PolarHBondContact O-N 3.14Å; W124-G126 VanDerWaalsContact C-N 3.34Å; W124-G126 PolarHBondContact O-N 3.36Å; G126-A128 PolarHBondContact O-N 3.12Å; G126-T129 PolarHBondContact O-N 2.92Å; G126-L130 PolarHBondContact O-N 3.09Å
127V98.4Very high98.4Very high46 Ų4657 Ų5728%0.27929%0.289SS..Hα-helixtrans-65.2-40.6176.51700000111.1M118 S123 T129 L130 I131M118-V127 HydrophobicContact CE-CB 3.81Å; M118-V127 HydrophobicContact CE-CG1 4.42Å; M118-V127 HydrophobicContact CE-CG2 3.46Å; M118-V127 VanDerWaalsContact CE-CG2 3.46Å; M118-V127 HydrophobicContact SD-CG2 3.66Å; S123-V127 PolarHBondContact O-N 2.95Å; V127-T129 VanDerWaalsContact C-N 3.34Å; V127-T129 PolarHBondContact O-N 3.42Å; V127-L130 PolarHBondContact O-N 2.88Å; V127-I131 HydrophobicContact CG1-CD1 3.66Å; V127-I131 HydrophobicContact CG1-CG1 4.26Å; V127-I131 WeakPolarHBondContact O-CB 3.46Å; V127-I131 VanDerWaalsContact O-CG1 3.28Å; V127-I131 WeakPolarHBondContact O-CG1 3.28Å; V127-I131 PolarHBondContact O-N 2.9Å
128A98.6Very high98.4Very high34 Ų3457 Ų5728%0.28129%0.291SS..Hα-helixtrans-59.2-45.3173.900000111.8W124 G126 L130 I131 F132W124-A128 VanDerWaalsContact O-CB 3.32Å; W124-A128 WeakPolarHBondContact O-CB 3.46Å; W124-A128 PolarHBondContact O-N 3.41Å; W124-A128 VanDerWaalsContact O-N 3.08Å; G126-A128 PolarHBondContact O-N 3.12Å; A128-L130 PolarHBondContact O-N 2.91Å; A128-I131 PolarHBondContact O-N 3.49Å; A128-F132 WeakPolarHBondContact O-CB 3.42Å; A128-F132 WeakPolarHBondContact O-CD2 3.49Å; A128-F132 WeakPolarHBondContact O-CG 3.23Å; A128-F132 PolarHBondContact O-N 3.45Å
129T98.8Very high98.3Very high2 Ų257 Ų571%0.01229%0.292CS..Hα-helixtrans-59.4-46.9176.6-57.20000111.1L62 C125 G126 V127 F132 F133 L168 M171 A172L62-T129 HydrophobicContact CD1-CG2 4.47Å; C125-T129 WeakPolarHBondContact O-CB 3.42Å; C125-T129 PolarHBondContact O-N 3.5Å; C125-T129 PolarHBondContact O-OG1 3.33Å; G126-T129 PolarHBondContact O-N 2.92Å; V127-T129 VanDerWaalsContact C-N 3.34Å; V127-T129 PolarHBondContact O-N 3.42Å; T129-F132 PolarHBondContact O-N 3.45Å; T129-F133 VanDerWaalsContact O-CB 3.25Å; T129-F133 WeakPolarHBondContact O-CB 3.44Å; T129-F133 PolarHBondContact O-N 3.11Å; T129-L168 HydrophobicContact CG2-CD2 4.18Å; T129-M171 HydrophobicContact CG2-CB 4.17Å; T129-A172 HydrophobicContact CG2-CB 4.24Å
130L98.7Very high98.2Very high25 Ų2551.4 Ų51.413%0.13127%0.274CS..Hα-helixtrans-66-41.2-179.2-174.862.6000112.5L96 V103 G126 V127 A128 F133 C134L96-L130 HydrophobicContact CD1-CD1 3.78Å; V103-L130 HydrophobicContact CB-CD2 4.33Å; V103-L130 HydrophobicContact CG2-CD2 3.82Å; G126-L130 PolarHBondContact O-N 3.09Å; V127-L130 PolarHBondContact O-N 2.88Å; A128-L130 PolarHBondContact O-N 2.91Å; L130-F133 PolarHBondContact O-N 3.33Å; L130-C134 WeakPolarHBondContact O-CB 3.33Å; L130-C134 PolarHBondContact O-N 3.04Å
131I98.7Very high98Very high92 Ų9251.9 Ų51.947%0.47228%0.275SS..Hα-helixtrans-61.8-50.1175.9-70.5169.3000110V127 A128 F133 C134 L135V127-I131 HydrophobicContact CG1-CD1 3.66Å; V127-I131 HydrophobicContact CG1-CG1 4.26Å; V127-I131 WeakPolarHBondContact O-CB 3.46Å; V127-I131 VanDerWaalsContact O-CG1 3.28Å; V127-I131 WeakPolarHBondContact O-CG1 3.28Å; V127-I131 PolarHBondContact O-N 2.9Å; A128-I131 PolarHBondContact O-N 3.49Å; I131-F133 VanDerWaalsContact C-N 3.3Å; I131-F133 PolarHBondContact O-N 2.95Å; I131-C134 PolarHBondContact O-N 3.43Å; I131-L135 HydrophobicContact CG2-CD1 4.02Å; I131-L135 HydrophobicContact CG2-CG 4.49Å; I131-L135 WeakPolarHBondContact O-CG 3.45Å; I131-L135 PolarHBondContact O-N 3Å
132F98.7Very high97.7Very high114 Ų11450.2 Ų50.250%0.527%0.266SS..Hα-helixtrans-65.5-33.8178.9-71.5-43.9000112.4A128 T129 L135 Q136 L168A128-F132 WeakPolarHBondContact O-CB 3.42Å; A128-F132 WeakPolarHBondContact O-CD2 3.49Å; A128-F132 WeakPolarHBondContact O-CG 3.23Å; A128-F132 PolarHBondContact O-N 3.45Å; T129-F132 PolarHBondContact O-N 3.45Å; F132-L135 HydrophobicContact CD1-CD1 4.18Å; F132-L135 PolarHBondContact O-N 3.32Å; F132-Q136 WeakPolarHBondContact O-CB 3.21Å; F132-Q136 PolarHBondContact O-N 2.88Å; F132-L168 HydrophobicContact CB-CD2 3.7Å
133F98.7Very high97.3Very high7 Ų750.8 Ų50.83%0.03127%0.268CS..Hα-helixtrans-63-44.9173.2-166.6-81.4000112L62 H66 H92 A95 L96 T129 L130 I131 Q136 W137 L168L62-F133 HydrophobicContact CD2-CD1 4.42Å; L62-F133 HydrophobicContact CD2-CD2 3.94Å; L62-F133 HydrophobicContact CD2-CE2 4.1Å; L62-F133 HydrophobicContact CD2-CG 4.1Å; L62-F133 HydrophobicContact CD2-CZ 4.42Å; H66-F133 HydrophobicContact CB-CE2 4.06Å; H66-F133 HydrophobicContact CB-CZ 4.42Å; H66-F133 AromaticContact CE1-CE2 3.8Å; H66-F133 AromaticContact CG-CE2 3.59Å; H66-F133 AromaticContact ND1-CE2 3.43Å; H66-F133 WeakPolarHBondContact ND1-CE2 3.46Å; H92-F133 HydrophobicContact CB-CE1 4.5Å; H92-F133 HydrophobicContact CB-CZ 4.43Å; H92-F133 AromaticContact ND1-CZ 3.57Å; A95-F133 HydrophobicContact CB-CE1 4.44Å; A95-F133 HydrophobicContact CB-CZ 4.09Å; L96-F133 HydrophobicContact CB-CD1 4.28Å; L96-F133 HydrophobicContact CB-CE1 4.05Å; L96-F133 HydrophobicContact CD1-CD1 4.17Å; T129-F133 VanDerWaalsContact O-CB 3.25Å; T129-F133 WeakPolarHBondContact O-CB 3.44Å; T129-F133 PolarHBondContact O-N 3.11Å; L130-F133 PolarHBondContact O-N 3.33Å; I131-F133 VanDerWaalsContact C-N 3.3Å; I131-F133 PolarHBondContact O-N 2.95Å; F133-Q136 PolarHBondContact O-N 3.16Å; F133-W137 PolarHBondContact O-N 2.86Å; F133-L168 HydrophobicContact CB-CD1 4.42Å; F133-L168 HydrophobicContact CB-CD2 4.42Å; F133-L168 HydrophobicContact CD2-CD1 4.34Å
134C98.6Very high97Very high50 Ų5051.4 Ų51.434%0.33827%0.269SS..Hα-helixtrans-62.2-47.2175.7-176.40000111.6L96 L130 I131 Q136 W137 V138L96-C134 HydrophobicContact CD1-CB 4.17Å; L96-C134 HydrophobicContact CD2-CB 4.33Å; L130-C134 WeakPolarHBondContact O-CB 3.33Å; L130-C134 PolarHBondContact O-N 3.04Å; I131-C134 PolarHBondContact O-N 3.43Å; C134-Q136 VanDerWaalsContact C-N 3.35Å; C134-Q136 PolarHBondContact O-N 3.38Å; C134-W137 PolarHBondContact O-N 3.48Å; C134-V138 WeakPolarHBondContact O-CG2 3.44Å; C134-V138 PolarHBondContact O-N 3.01Å
135L98.4Very high96.4Very high90 Ų9046.9 Ų46.947%0.47126%0.256SS..Hα-helixtrans-60-44.9176.2-71.2173.2000111.7I131 F132 W137 V138 L139I131-L135 HydrophobicContact CG2-CD1 4.02Å; I131-L135 HydrophobicContact CG2-CG 4.49Å; I131-L135 WeakPolarHBondContact O-CG 3.45Å; I131-L135 PolarHBondContact O-N 3Å; F132-L135 HydrophobicContact CD1-CD1 4.18Å; F132-L135 PolarHBondContact O-N 3.32Å; L135-W137 VanDerWaalsContact C-N 3.29Å; L135-W137 PolarHBondContact O-N 3.32Å; L135-V138 PolarHBondContact O-N 2.92Å; L135-L139 WeakPolarHBondContact O-CB 3.46Å; L135-L139 VanDerWaalsContact O-CG 3.24Å; L135-L139 WeakPolarHBondContact O-CG 3.48Å; L135-L139 PolarHBondContact O-N 3.32Å
136Q98.2Very high95.6Very high22 Ų2249.8 Ų49.810%0.10326%0.264CS..Hα-helixtrans-59-40.9177179.372.3-5.100111.7F132 F133 C134 G140 H161 L168F132-Q136 WeakPolarHBondContact O-CB 3.21Å; F132-Q136 PolarHBondContact O-N 2.88Å; F133-Q136 PolarHBondContact O-N 3.16Å; C134-Q136 VanDerWaalsContact C-N 3.35Å; C134-Q136 PolarHBondContact O-N 3.38Å; Q136-G140 PolarHBondContact O-N 2.85Å; Q136-H161 PolarHBondContact NE2-CE1 3.47Å; Q136-H161 VanDerWaalsContact NE2-CE1 3.32Å; Q136-H161 PolarHBondContact NE2-ND1 3.39Å; Q136-H161 PolarHBondContact NE2-O 3.1Å; Q136-L168 HydrophobicContact CB-CD1 3.79Å; Q136-L168 HydrophobicContact CG-CD1 3.88Å
137W98.1Very high94.4Very high56 Ų5654.5 Ų54.521%0.21229%0.291CS..Hα-helixtrans-67.6-48.2177.3-174.682.4000112G89 L93 F133 C134 L135 G140 L141G89-W137 PolarHBondContact O-NE1 3.24Å; L93-W137 HydrophobicContact CB-CZ2 3.7Å; L93-W137 HydrophobicContact CD1-CH2 3.79Å; L93-W137 HydrophobicContact CD1-CZ2 3.67Å; L93-W137 HydrophobicContact CD1-CZ3 4.45Å; L93-W137 HydrophobicContact CD2-CH2 4.32Å; L93-W137 HydrophobicContact CD2-CZ2 3.93Å; L93-W137 HydrophobicContact CG-CH2 4.46Å; L93-W137 HydrophobicContact CG-CZ2 3.95Å; F133-W137 PolarHBondContact O-N 2.86Å; C134-W137 PolarHBondContact O-N 3.48Å; L135-W137 VanDerWaalsContact C-N 3.29Å; L135-W137 PolarHBondContact O-N 3.32Å; W137-G140 PolarHBondContact O-N 2.81Å; W137-L141 HydrophobicContact CD2-CD1 4.08Å; W137-L141 HydrophobicContact CD2-CG 4.37Å; W137-L141 HydrophobicContact CE3-CD1 3.78Å; W137-L141 HydrophobicContact CE3-CG 4.46Å; W137-L141 HydrophobicContact CH2-CD1 3.26Å; W137-L141 HydrophobicContact CH2-CG 4.36Å; W137-L141 HydrophobicContact CZ2-CD1 3.53Å; W137-L141 HydrophobicContact CZ2-CD2 4.41Å; W137-L141 HydrophobicContact CZ2-CG 4.21Å; W137-L141 HydrophobicContact CZ3-CD1 3.38Å; W137-L141 HydrophobicContact CZ3-CG 4.46Å; W137-L141 WeakPolarHBondContact O-CG 3.23Å; W137-L141 PolarHBondContact O-N 3.13Å
138V97Very high93.6Very high60 Ų6057.6 Ų57.636%0.36431%0.31SS..Hα-helixtrans-60.9-48178172.10000111.1C134 L135 G140 L141 L142C134-V138 WeakPolarHBondContact O-CG2 3.44Å; C134-V138 PolarHBondContact O-N 3.01Å; L135-V138 PolarHBondContact O-N 2.92Å; V138-G140 VanDerWaalsContact C-N 3.32Å; V138-G140 PolarHBondContact O-N 3.38Å; V138-L141 WeakPolarHBondContact O-CB 3.25Å; V138-L141 PolarHBondContact O-N 3.42Å; V138-L142 HydrophobicContact CG1-CD1 4.03Å; V138-L142 HydrophobicContact CG1-CG 4.47Å; V138-L142 WeakPolarHBondContact O-CG 3.41Å; V138-L142 PolarHBondContact O-N 3.06Å
139L95.7Very high92.9Very high65 Ų6556.6 Ų56.634%0.3430%0.302SS..Hα-helixtrans-63.6-39.8177.2-67.8173.7000111.2L135 L141 L142 F143 Y157L135-L139 WeakPolarHBondContact O-CB 3.46Å; L135-L139 VanDerWaalsContact O-CG 3.24Å; L135-L139 WeakPolarHBondContact O-CG 3.48Å; L135-L139 PolarHBondContact O-N 3.32Å; L139-L141 VanDerWaalsContact C-N 3.32Å; L139-L141 PolarHBondContact O-N 2.79Å; L139-L142 PolarHBondContact O-N 3.23Å; L139-F143 HydrophobicContact CD2-CE2 4.26Å; L139-F143 WeakPolarHBondContact O-CB 3.49Å; L139-F143 VanDerWaalsContact O-CD2 3.31Å; L139-F143 WeakPolarHBondContact O-CD2 3.28Å; L139-F143 PolarHBondContact O-N 3.09Å; L139-Y157 HydrophobicContact CB-CE1 4.14Å; L139-Y157 VanDerWaalsContact CB-OH 3.25Å; L139-Y157 WeakPolarHBondContact CB-OH 3.24Å
140G95.4Very high92.4Very high12 Ų1259.2 Ų59.212%0.12432%0.32CS..Hα-helixtrans-57.1-43.4173.800000112.8Q136 W137 V138 F144Q136-G140 PolarHBondContact O-N 2.85Å; W137-G140 PolarHBondContact O-N 2.81Å; V138-G140 VanDerWaalsContact C-N 3.32Å; V138-G140 PolarHBondContact O-N 3.38Å; G140-F144 WeakPolarHBondContact O-CB 3.49Å; G140-F144 PolarHBondContact O-N 3.5Å
141L93.4Very high91.9Very high28 Ų2862.2 Ų62.215%0.14734%0.343CS..Iπ-helixtrans-63.4-50.7175.2-72.8-177.7000112.6W137 V138 L139 F143 L145 F146W137-L141 HydrophobicContact CD2-CD1 4.08Å; W137-L141 HydrophobicContact CD2-CG 4.37Å; W137-L141 HydrophobicContact CE3-CD1 3.78Å; W137-L141 HydrophobicContact CE3-CG 4.46Å; W137-L141 HydrophobicContact CH2-CD1 3.26Å; W137-L141 HydrophobicContact CH2-CG 4.36Å; W137-L141 HydrophobicContact CZ2-CD1 3.53Å; W137-L141 HydrophobicContact CZ2-CD2 4.41Å; W137-L141 HydrophobicContact CZ2-CG 4.21Å; W137-L141 HydrophobicContact CZ3-CD1 3.38Å; W137-L141 HydrophobicContact CZ3-CG 4.46Å; W137-L141 WeakPolarHBondContact O-CG 3.23Å; W137-L141 PolarHBondContact O-N 3.13Å; V138-L141 WeakPolarHBondContact O-CB 3.25Å; V138-L141 PolarHBondContact O-N 3.42Å; L139-L141 VanDerWaalsContact C-N 3.32Å; L139-L141 PolarHBondContact O-N 2.79Å; L141-F143 VanDerWaalsContact C-N 3.33Å; L141-F143 PolarHBondContact O-N 2.92Å; L141-L145 HydrophobicContact CD2-CB 4.12Å; L141-L145 HydrophobicContact CD2-CD2 3.53Å; L141-L145 HydrophobicContact CD2-CG 4.47Å; L141-L145 PolarHBondContact O-N 2.86Å; L141-L145 VanDerWaalsContact O-N 3.09Å; L141-F146 HydrophobicContact CB-CD2 4.17Å; L141-F146 HydrophobicContact CB-CE2 4.07Å; L141-F146 HydrophobicContact CD1-CE2 4.43Å; L141-F146 WeakPolarHBondContact O-CD2 3.47Å; L141-F146 PolarHBondContact O-N 3.26Å
142L92.8Very high91.4Very high76 Ų7665.5 Ų65.540%0.39835%0.35SS..Iπ-helixtrans-62.5-40.8-176.8-68.3175.6000112V138 L139V138-L142 HydrophobicContact CG1-CD1 4.03Å; V138-L142 HydrophobicContact CG1-CG 4.47Å; V138-L142 WeakPolarHBondContact O-CG 3.41Å; V138-L142 PolarHBondContact O-N 3.06Å; L139-L142 PolarHBondContact O-N 3.23Å
143F91.6Very high90.9Very high43 Ų4363.5 Ų63.519%0.18934%0.344CS..Iπ-helixtrans-82.4-44.1-178.6-80.4-105000112.5L139 L141 A149 L153 R154 Y157L139-F143 HydrophobicContact CD2-CE2 4.26Å; L139-F143 WeakPolarHBondContact O-CB 3.49Å; L139-F143 VanDerWaalsContact O-CD2 3.31Å; L139-F143 WeakPolarHBondContact O-CD2 3.28Å; L139-F143 PolarHBondContact O-N 3.09Å; L141-F143 VanDerWaalsContact C-N 3.33Å; L141-F143 PolarHBondContact O-N 2.92Å; F143-A149 HydrophobicContact CB-CB 4.49Å; F143-A149 HydrophobicContact CD1-CB 3.89Å; F143-A149 HydrophobicContact CE1-CB 4.38Å; F143-A149 HydrophobicContact CG-CB 4.22Å; F143-L153 HydrophobicContact CE1-CB 4.12Å; F143-L153 HydrophobicContact CE1-CD2 4.41Å; F143-R154 WeakPolarHBondContact O-CD 3.25Å; F143-R154 VanDerWaalsContact O-CG 3.25Å; F143-R154 WeakPolarHBondContact O-CG 3.45Å; F143-R154 PolarHBondContact O-NE 3.49Å; F143-Y157 HydrophobicContact CB-CD1 3.82Å; F143-Y157 HydrophobicContact CB-CE1 4.24Å; F143-Y157 AromaticContact CD1-CD1 3.65Å; F143-Y157 HydrophobicContact CD1-CD1 3.65Å; F143-Y157 AromaticContact CD1-CG 3.93Å; F143-Y157 HydrophobicContact CD1-CG 3.93Å; F143-Y157 HydrophobicContact CD2-CD1 4Å; F143-Y157 HydrophobicContact CD2-CE1 4.15Å; F143-Y157 HydrophobicContact CE1-CD1 4.18Å; F143-Y157 HydrophobicContact CE1-CG 4.06Å; F143-Y157 AromaticContact CG-CD1 3.54Å; F143-Y157 HydrophobicContact CG-CD1 3.54Å; F143-Y157 HydrophobicContact CG-CE1 4.07Å; F143-Y157 HydrophobicContact CG-CG 4.25Å; F143-Y157 HydrophobicContact CZ-CG 4.49Å
144F90.7Very high90.5Very high33 Ų3366.7 Ų66.715%0.14536%0.356CS..Iπ-helixtrans-110.8-20.5-165-57-63.2000116.2K85 G140 R154 Y157 L158 H161K85-F144 PolarHBondContact NZ-O 3.13Å; G140-F144 WeakPolarHBondContact O-CB 3.49Å; G140-F144 PolarHBondContact O-N 3.5Å; F144-R154 HydrophobicContact CD1-CB 4.47Å; F144-R154 HydrophobicContact CD1-CG 4.39Å; F144-R154 HydrophobicContact CE1-CB 4.1Å; F144-R154 HydrophobicContact CE1-CG 4.4Å; F144-Y157 AromaticContact CE2-CD1 3.65Å; F144-Y157 HydrophobicContact CE2-CD1 3.65Å; F144-Y157 AromaticContact CE2-CE1 3.83Å; F144-Y157 HydrophobicContact CE2-CE1 3.83Å; F144-Y157 AromaticContact CZ-CD1 3.67Å; F144-Y157 HydrophobicContact CZ-CD1 3.67Å; F144-Y157 HydrophobicContact CZ-CE1 4.31Å; F144-L158 HydrophobicContact CE1-CB 4.16Å; F144-L158 HydrophobicContact CE1-CD1 4.22Å; F144-L158 HydrophobicContact CZ-CB 4.02Å; F144-L158 HydrophobicContact CZ-CD1 4.07Å; F144-H161 HydrophobicContact CE2-CB 3.89Å; F144-H161 AromaticContact CE2-CD2 3.96Å; F144-H161 AromaticContact CE2-CG 3.68Å; F144-H161 HydrophobicContact CZ-CB 4.32Å
145L87.1Confident90.1Very high68 Ų6867.3 Ų67.336%0.35637%0.365SS..Iπ-helixtrans-103.5-46.1-179.9-163.569.5000112.3K85 L141K85-L145 HydrophobicContact CB-CD1 4.18Å; L141-L145 HydrophobicContact CD2-CB 4.12Å; L141-L145 HydrophobicContact CD2-CD2 3.53Å; L141-L145 HydrophobicContact CD2-CG 4.47Å; L141-L145 PolarHBondContact O-N 2.86Å; L141-L145 VanDerWaalsContact O-N 3.09Å
146F82.1Confident89.8Confident102 Ų10266.6 Ų66.645%0.44736%0.364SS..SBendtrans-87148.7178-63.2-62.9000112L141 V148 R154L141-F146 HydrophobicContact CB-CD2 4.17Å; L141-F146 HydrophobicContact CB-CE2 4.07Å; L141-F146 HydrophobicContact CD1-CE2 4.43Å; L141-F146 WeakPolarHBondContact O-CD2 3.47Å; L141-F146 PolarHBondContact O-N 3.26Å; F146-V148 HydrophobicContact CB-CG2 3.95Å; F146-V148 PolarHBondContact O-N 2.97Å; F146-R154 PolarHBondContact O-NH2 3.49Å
147P73.6Confident89.6Confident120 Ų12066.9 Ų66.978%0.77936%0.364SS*.THydrogen-bonded Turntrans-75.126.5-178.533.1-36.5000113.8
148V81.3Confident89.4Confident111 Ų11167.7 Ų67.767%0.67337%0.372SS*.THydrogen-bonded Turntrans-80.4-42.9-172.4-177.30000112F146F146-V148 HydrophobicContact CB-CG2 3.95Å; F146-V148 PolarHBondContact O-N 2.97Å
149A83.8Confident89.2Confident13 Ų1368.8 Ų68.811%0.10738%0.381CS..SBendtrans-85.9141.8-178.300000113.2F143 L153 R154F143-A149 HydrophobicContact CB-CB 4.49Å; F143-A149 HydrophobicContact CD1-CB 3.89Å; F143-A149 HydrophobicContact CE1-CB 4.38Å; F143-A149 HydrophobicContact CG-CB 4.22Å; A149-L153 HydrophobicContact CB-CB 4.31Å; A149-R154 HydrophobicContact CB-CG 4Å; A149-R154 PolarHBondContact O-NE 3.43Å; A149-R154 PolarHBondContact O-NH2 2.9Å
150S88.9Confident89.3Confident57 Ų5770 Ų7040%0.39939%0.387SS..  trans-65.9160.5171.372.50000111.9W152 L153 R154S150-W152 VanDerWaalsContact C-N 3.29Å; S150-W152 PolarHBondContact O-N 3.27Å; S150-L153 PolarHBondContact O-N 2.98Å; S150-L153 WeakPolarHBondContact OG-CD1 3.44Å; S150-L153 PolarHBondContact OG-N 2.73Å; S150-R154 WeakPolarHBondContact O-CG 3.28Å; S150-R154 PolarHBondContact O-N 3.48Å; S150-R154 VanDerWaalsContact O-N 3.07Å
151S86.6Confident89.4Confident88 Ų8870.6 Ų70.662%0.61539%0.387SS*.Hα-helixtrans-57.4-41.2177.149.60000112.6R154 A155S151-R154 PolarHBondContact O-N 3Å; S151-A155 PolarHBondContact O-N 3.41Å
152W87.9Confident89.5Confident161 Ų16173.1 Ų73.161%0.6140%0.403SS*.Hα-helixtrans-63-47.2177176.481.4000112.3S150 R154 A155 T156S150-W152 VanDerWaalsContact C-N 3.29Å; S150-W152 PolarHBondContact O-N 3.27Å; W152-R154 VanDerWaalsContact C-N 3.3Å; W152-R154 PolarHBondContact O-N 2.94Å; W152-A155 PolarHBondContact O-N 3.13Å; W152-T156 PolarHBondContact O-N 3.01Å; W152-T156 PolarHBondContact O-OG1 3.41Å; W152-T156 VanDerWaalsContact O-OG1 3.1Å
153L89.9Confident89.7Confident72 Ų7276 Ų7638%0.37741%0.413SS..Hα-helixtrans-58.7-42.3176.8-84.3161.3000111.7F143 A149 S150 T156 Y157F143-L153 HydrophobicContact CE1-CB 4.12Å; F143-L153 HydrophobicContact CE1-CD2 4.41Å; A149-L153 HydrophobicContact CB-CB 4.31Å; S150-L153 PolarHBondContact O-N 2.98Å; S150-L153 WeakPolarHBondContact OG-CD1 3.44Å; S150-L153 PolarHBondContact OG-N 2.73Å; L153-T156 PolarHBondContact O-N 3.47Å; L153-Y157 VanDerWaalsContact O-CB 3.31Å; L153-Y157 WeakPolarHBondContact O-CB 3.12Å; L153-Y157 PolarHBondContact O-N 3.3Å
154R90.4Very high90Very high73 Ų7375.9 Ų75.928%0.27542%0.416SS..Hα-helixtrans-63-44.4176.3-70.5171.8177.6155.74.5112.2F143 F144 F146 A149 S150 S151 W152 T156 Y157 L158F143-R154 WeakPolarHBondContact O-CD 3.25Å; F143-R154 VanDerWaalsContact O-CG 3.25Å; F143-R154 WeakPolarHBondContact O-CG 3.45Å; F143-R154 PolarHBondContact O-NE 3.49Å; F144-R154 HydrophobicContact CD1-CB 4.47Å; F144-R154 HydrophobicContact CD1-CG 4.39Å; F144-R154 HydrophobicContact CE1-CB 4.1Å; F144-R154 HydrophobicContact CE1-CG 4.4Å; F146-R154 PolarHBondContact O-NH2 3.49Å; A149-R154 HydrophobicContact CB-CG 4Å; A149-R154 PolarHBondContact O-NE 3.43Å; A149-R154 PolarHBondContact O-NH2 2.9Å; S150-R154 WeakPolarHBondContact O-CG 3.28Å; S150-R154 PolarHBondContact O-N 3.48Å; S150-R154 VanDerWaalsContact O-N 3.07Å; S151-R154 PolarHBondContact O-N 3Å; W152-R154 VanDerWaalsContact C-N 3.3Å; W152-R154 PolarHBondContact O-N 2.94Å; R154-T156 VanDerWaalsContact C-N 3.35Å; R154-Y157 PolarHBondContact O-N 3.34Å; R154-L158 VanDerWaalsContact O-CB 3.32Å; R154-L158 WeakPolarHBondContact O-CB 3.33Å; R154-L158 PolarHBondContact O-N 2.82Å
155A89.3Confident90.4Very high64 Ų6474.8 Ų74.853%0.52941%0.414SS..Hα-helixtrans-63.3-41.7179.200000111.6S151 W152 P159S151-A155 PolarHBondContact O-N 3.41Å; W152-A155 PolarHBondContact O-N 3.13Å; A155-P159 VanDerWaalsContact O-CD 3.3Å; A155-P159 WeakPolarHBondContact O-CD 3.35Å
156T91.1Very high90.9Very high75 Ų7573 Ų7346%0.4641%0.405SS..Hα-helixtrans-69.7-38.1177.7-55.90000112.6W152 L153 R154 P159W152-T156 PolarHBondContact O-N 3.01Å; W152-T156 PolarHBondContact O-OG1 3.41Å; W152-T156 VanDerWaalsContact O-OG1 3.1Å; L153-T156 PolarHBondContact O-N 3.47Å; R154-T156 VanDerWaalsContact C-N 3.35Å; T156-P159 WeakPolarHBondContact O-CD 3.45Å
157Y94.1Very high91.6Very high27 Ų2770.4 Ų70.411%0.10640%0.398CS..Hα-helixtrans-80.1-27.1-177.9-178.3-119.7000113.6L139 F143 F144 L153 R154 I160 H161L139-Y157 HydrophobicContact CB-CE1 4.14Å; L139-Y157 VanDerWaalsContact CB-OH 3.25Å; L139-Y157 WeakPolarHBondContact CB-OH 3.24Å; F143-Y157 HydrophobicContact CB-CD1 3.82Å; F143-Y157 HydrophobicContact CB-CE1 4.24Å; F143-Y157 AromaticContact CD1-CD1 3.65Å; F143-Y157 HydrophobicContact CD1-CD1 3.65Å; F143-Y157 AromaticContact CD1-CG 3.93Å; F143-Y157 HydrophobicContact CD1-CG 3.93Å; F143-Y157 HydrophobicContact CD2-CD1 4Å; F143-Y157 HydrophobicContact CD2-CE1 4.15Å; F143-Y157 HydrophobicContact CE1-CD1 4.18Å; F143-Y157 HydrophobicContact CE1-CG 4.06Å; F143-Y157 AromaticContact CG-CD1 3.54Å; F143-Y157 HydrophobicContact CG-CD1 3.54Å; F143-Y157 HydrophobicContact CG-CE1 4.07Å; F143-Y157 HydrophobicContact CG-CG 4.25Å; F143-Y157 HydrophobicContact CZ-CG 4.49Å; F144-Y157 AromaticContact CE2-CD1 3.65Å; F144-Y157 HydrophobicContact CE2-CD1 3.65Å; F144-Y157 AromaticContact CE2-CE1 3.83Å; F144-Y157 HydrophobicContact CE2-CE1 3.83Å; F144-Y157 AromaticContact CZ-CD1 3.67Å; F144-Y157 HydrophobicContact CZ-CD1 3.67Å; F144-Y157 HydrophobicContact CZ-CE1 4.31Å; L153-Y157 VanDerWaalsContact O-CB 3.31Å; L153-Y157 WeakPolarHBondContact O-CB 3.12Å; L153-Y157 PolarHBondContact O-N 3.3Å; R154-Y157 PolarHBondContact O-N 3.34Å; Y157-I160 HydrophobicContact CD2-CB 4.18Å; Y157-I160 HydrophobicContact CD2-CG2 4.43Å; Y157-I160 HydrophobicContact CE2-CB 4.35Å; Y157-I160 HydrophobicContact CE2-CG2 4.17Å; Y157-I160 WeakPolarHBondContact O-CB 3.36Å; Y157-I160 PolarHBondContact O-N 3.21Å; Y157-I160 VanDerWaalsContact O-N 3.09Å; Y157-H161 HydrophobicContact CD1-CB 4.28Å; Y157-H161 HydrophobicContact CE1-CB 3.92Å; Y157-H161 PolarHBondContact O-N 3.37Å
158L93.9Very high92.8Very high73 Ų7365.1 Ų65.138%0.38236%0.362SS..Hα-helixtrans-54-46.8-175.5176.765.6000114.5F144 R154 I160 H161 V162F144-L158 HydrophobicContact CE1-CB 4.16Å; F144-L158 HydrophobicContact CE1-CD1 4.22Å; F144-L158 HydrophobicContact CZ-CB 4.02Å; F144-L158 HydrophobicContact CZ-CD1 4.07Å; R154-L158 VanDerWaalsContact O-CB 3.32Å; R154-L158 WeakPolarHBondContact O-CB 3.33Å; R154-L158 PolarHBondContact O-N 2.82Å; L158-I160 VanDerWaalsContact C-N 3.29Å; L158-I160 PolarHBondContact O-N 2.92Å; L158-H161 WeakPolarHBondContact O-CB 3.46Å; L158-H161 PolarHBondContact O-N 2.95Å; L158-V162 HydrophobicContact CD1-CG2 4.13Å; L158-V162 WeakPolarHBondContact O-CG2 3.48Å; L158-V162 PolarHBondContact O-N 2.98Å
159P94.4Very high93.7Very high84 Ų8459.8 Ų59.855%0.54533%0.33SS..Hα-helixtrans-61-39177.6-22.834000112.6A155 T156 V162 F163A155-P159 VanDerWaalsContact O-CD 3.3Å; A155-P159 WeakPolarHBondContact O-CD 3.35Å; T156-P159 WeakPolarHBondContact O-CD 3.45Å; P159-V162 PolarHBondContact O-N 2.89Å; P159-F163 WeakPolarHBondContact O-CB 3.5Å; P159-F163 PolarHBondContact O-N 3.4Å
160I97Very high94.4Very high91 Ų9163.1 Ų63.147%0.46735%0.349SS..Hα-helixtrans-65.4-45.6177.2-57.6173.1000109.5Y157 L158 V162 F163 C164Y157-I160 HydrophobicContact CD2-CB 4.18Å; Y157-I160 HydrophobicContact CD2-CG2 4.43Å; Y157-I160 HydrophobicContact CE2-CB 4.35Å; Y157-I160 HydrophobicContact CE2-CG2 4.17Å; Y157-I160 WeakPolarHBondContact O-CB 3.36Å; Y157-I160 PolarHBondContact O-N 3.21Å; Y157-I160 VanDerWaalsContact O-N 3.09Å; L158-I160 VanDerWaalsContact C-N 3.29Å; L158-I160 PolarHBondContact O-N 2.92Å; I160-V162 PolarHBondContact O-N 2.96Å; I160-F163 PolarHBondContact O-N 3.45Å; I160-C164 WeakPolarHBondContact O-CB 3.19Å; I160-C164 PolarHBondContact O-N 2.96Å; I160-C164 PolarHBondContact O-SG 3.44Å
161H97Very high94.8Very high24 Ų2463.4 Ų63.411%0.11135%0.345CS..Hα-helixtrans-58.3-46.9177.1-177.780.1000111.5H88 Q136 F144 Y157 L158 G165H88-H161 AromaticContact NE2-NE2 3.97Å; Q136-H161 PolarHBondContact NE2-CE1 3.47Å; Q136-H161 VanDerWaalsContact NE2-CE1 3.32Å; Q136-H161 PolarHBondContact NE2-ND1 3.39Å; Q136-H161 PolarHBondContact NE2-O 3.1Å; F144-H161 HydrophobicContact CE2-CB 3.89Å; F144-H161 AromaticContact CE2-CD2 3.96Å; F144-H161 AromaticContact CE2-CG 3.68Å; F144-H161 HydrophobicContact CZ-CB 4.32Å; Y157-H161 HydrophobicContact CD1-CB 4.28Å; Y157-H161 HydrophobicContact CE1-CB 3.92Å; Y157-H161 PolarHBondContact O-N 3.37Å; L158-H161 WeakPolarHBondContact O-CB 3.46Å; L158-H161 PolarHBondContact O-N 2.95Å; H161-G165 PolarHBondContact O-N 3.45Å
162V96.5Very high95.4Very high81 Ų8159.3 Ų59.349%0.49132%0.317SS..Hα-helixtrans-63.1-47178.1174.20000111.5L158 P159 I160 G165 L166L158-V162 HydrophobicContact CD1-CG2 4.13Å; L158-V162 WeakPolarHBondContact O-CG2 3.48Å; L158-V162 PolarHBondContact O-N 2.98Å; P159-V162 PolarHBondContact O-N 2.89Å; I160-V162 PolarHBondContact O-N 2.96Å; V162-G165 PolarHBondContact O-N 3.23Å; V162-L166 PolarHBondContact O-N 2.81Å; V162-L166 VanDerWaalsContact O-N 3.15Å
163F97.4Very high95.9Very high137 Ų13752.1 Ų52.160%0.60129%0.29SS*.Hα-helixtrans-60.4-48.1178.5171.4-99.8000112.5P159 I160 G165 L166 T167P159-F163 WeakPolarHBondContact O-CB 3.5Å; P159-F163 PolarHBondContact O-N 3.4Å; I160-F163 PolarHBondContact O-N 3.45Å; F163-G165 VanDerWaalsContact C-N 3.34Å; F163-G165 PolarHBondContact O-N 3.23Å; F163-L166 PolarHBondContact O-N 3.05Å; F163-T167 WeakPolarHBondContact CZ-OG1 3.3Å; F163-T167 WeakPolarHBondContact O-CB 3.48Å; F163-T167 PolarHBondContact O-N 3.28Å; F163-T167 PolarHBondContact O-OG1 3.15Å
164C97.9Very high96.4Very high40 Ų4050.3 Ų50.327%0.2729%0.288SS..Hα-helixtrans-64.2-39.8178.8-70.30000111.5I160 L166 T167 L168I160-C164 WeakPolarHBondContact O-CB 3.19Å; I160-C164 PolarHBondContact O-N 2.96Å; I160-C164 PolarHBondContact O-SG 3.44Å; C164-L166 VanDerWaalsContact C-N 3.35Å; C164-L166 PolarHBondContact O-N 3.24Å; C164-T167 PolarHBondContact O-N 3.31Å; C164-L168 WeakPolarHBondContact O-CB 3.42Å; C164-L168 VanDerWaalsContact O-CG 3.25Å; C164-L168 WeakPolarHBondContact O-CG 3.3Å; C164-L168 PolarHBondContact O-N 3.49Å
165G97.6Very high96.8Very high9 Ų947.4 Ų47.49%0.09328%0.279CS..Hα-helixtrans-59.9-42.9177.300000112.9H66 H161 V162 F163 L169H66-G165 PolarHBondContact CE1-O 3.41Å; H66-G165 PolarHBondContact NE2-O 3.46Å; H66-G165 VanDerWaalsContact NE2-O 3.14Å; H161-G165 PolarHBondContact O-N 3.45Å; V162-G165 PolarHBondContact O-N 3.23Å; F163-G165 VanDerWaalsContact C-N 3.34Å; F163-G165 PolarHBondContact O-N 3.23Å; G165-L169 PolarHBondContact O-N 2.86Å
166L97.6Very high97.2Very high31 Ų3145.1 Ų45.116%0.16226%0.259CS..Hα-helixtrans-72.2-41.1176.6-170.161.3000112.1I70 V162 F163 C164 L168 L169 V170 V217 I220 T221I70-L166 HydrophobicContact CD1-CD1 4.38Å; V162-L166 PolarHBondContact O-N 2.81Å; V162-L166 VanDerWaalsContact O-N 3.15Å; F163-L166 PolarHBondContact O-N 3.05Å; C164-L166 VanDerWaalsContact C-N 3.35Å; C164-L166 PolarHBondContact O-N 3.24Å; L166-L168 VanDerWaalsContact C-N 3.28Å; L166-L168 PolarHBondContact O-N 2.81Å; L166-L169 HydrophobicContact CD1-CD2 4.43Å; L166-L169 WeakPolarHBondContact O-CB 3.24Å; L166-L169 PolarHBondContact O-N 3.26Å; L166-L169 VanDerWaalsContact O-N 3.13Å; L166-V170 PolarHBondContact O-N 2.93Å; L166-V217 HydrophobicContact CD1-CB 4.49Å; L166-V217 HydrophobicContact CD1-CG2 3.78Å; L166-V217 HydrophobicContact CD2-CG1 4.39Å; L166-V217 HydrophobicContact CD2-CG2 4.34Å; L166-V217 HydrophobicContact CG-CG2 4.23Å; L166-I220 HydrophobicContact CD1-CB 4.45Å; L166-I220 HydrophobicContact CD1-CG2 4.34Å; L166-I220 HydrophobicContact CD2-CG2 4.42Å; L166-T221 HydrophobicContact CD2-CG2 4.21Å
167T98.4Very high97.6Very high48 Ų4843.6 Ų43.629%0.29425%0.248SC..Hα-helixtrans-58.2-41.5175-62.40000111.3F163 C164 L169 V170 M171F163-T167 WeakPolarHBondContact CZ-OG1 3.3Å; F163-T167 WeakPolarHBondContact O-CB 3.48Å; F163-T167 PolarHBondContact O-N 3.28Å; F163-T167 PolarHBondContact O-OG1 3.15Å; C164-T167 PolarHBondContact O-N 3.31Å; T167-L169 VanDerWaalsContact C-N 3.3Å; T167-L169 PolarHBondContact O-N 3.45Å; T167-V170 PolarHBondContact O-N 2.87Å; T167-V170 VanDerWaalsContact O-N 3.16Å; T167-M171 HydrophobicContact CG2-CG 4.28Å; T167-M171 HydrophobicContact CG2-SD 4.16Å; T167-M171 WeakPolarHBondContact O-CG 3.46Å; T167-M171 PolarHBondContact O-N 3.33Å
168L98.7Very high97.8Very high8 Ų845.3 Ų45.34%0.04226%0.259CS..Hα-helixtrans-61.7-35.9176.5-78167.9000113T129 F132 F133 Q136 C164 L166 M171 A172T129-L168 HydrophobicContact CG2-CD2 4.18Å; F132-L168 HydrophobicContact CB-CD2 3.7Å; F133-L168 HydrophobicContact CB-CD1 4.42Å; F133-L168 HydrophobicContact CB-CD2 4.42Å; F133-L168 HydrophobicContact CD2-CD1 4.34Å; Q136-L168 HydrophobicContact CB-CD1 3.79Å; Q136-L168 HydrophobicContact CG-CD1 3.88Å; C164-L168 WeakPolarHBondContact O-CB 3.42Å; C164-L168 VanDerWaalsContact O-CG 3.25Å; C164-L168 WeakPolarHBondContact O-CG 3.3Å; C164-L168 PolarHBondContact O-N 3.49Å; L166-L168 VanDerWaalsContact C-N 3.28Å; L166-L168 PolarHBondContact O-N 2.81Å; L168-M171 PolarHBondContact O-N 3.32Å; L168-A172 VanDerWaalsContact O-CB 3.32Å; L168-A172 WeakPolarHBondContact O-CB 3.34Å; L168-A172 PolarHBondContact O-N 2.75Å
169L98.5Very high98Very high0 Ų042.6 Ų42.60%025%0.248CC..Hα-helixtrans-64.1-45.2173.9178.866.8000110.8H66 I70 G165 L166 T167 A172 I173 L216H66-L169 PolarHBondContact NE2-N 3.47Å; I70-L169 HydrophobicContact CD1-CD2 3.74Å; G165-L169 PolarHBondContact O-N 2.86Å; L166-L169 HydrophobicContact CD1-CD2 4.43Å; L166-L169 WeakPolarHBondContact O-CB 3.24Å; L166-L169 PolarHBondContact O-N 3.26Å; L166-L169 VanDerWaalsContact O-N 3.13Å; T167-L169 VanDerWaalsContact C-N 3.3Å; T167-L169 PolarHBondContact O-N 3.45Å; L169-A172 PolarHBondContact O-N 2.84Å; L169-I173 HydrophobicContact CD1-CD1 4.2Å; L169-I173 HydrophobicContact CG-CD1 4.09Å; L169-I173 WeakPolarHBondContact O-CG1 3.48Å; L169-I173 PolarHBondContact O-N 3.36Å; L169-L216 HydrophobicContact CD1-CD1 4.44Å; L169-L216 HydrophobicContact CD2-CB 3.8Å; L169-L216 HydrophobicContact CD2-CD1 3.57Å; L169-L216 HydrophobicContact CD2-CG 4.34Å
170V98.5Very high98.2Very high83 Ų8339.1 Ų39.150%0.50323%0.225SC..Hα-helixtrans-63.1-43.2177.7176.70000110.9L166 T167 I173 G174 V217L166-V170 PolarHBondContact O-N 2.93Å; T167-V170 PolarHBondContact O-N 2.87Å; T167-V170 VanDerWaalsContact O-N 3.16Å; V170-I173 PolarHBondContact O-N 3.41Å; V170-G174 PolarHBondContact O-N 3.39Å; V170-V217 HydrophobicContact CG2-CG2 4.43Å
171M98.6Very high98.3Very high62 Ų6237.8 Ų37.831%0.30522%0.221SC..Hα-helixtrans-62.5-42.5175.6-71.6-177.269.500112.2T129 T167 L168 G174 T175T129-M171 HydrophobicContact CG2-CB 4.17Å; T167-M171 HydrophobicContact CG2-CG 4.28Å; T167-M171 HydrophobicContact CG2-SD 4.16Å; T167-M171 WeakPolarHBondContact O-CG 3.46Å; T167-M171 PolarHBondContact O-N 3.33Å; L168-M171 PolarHBondContact O-N 3.32Å; M171-G174 PolarHBondContact O-N 3.4Å; M171-T175 VanDerWaalsContact O-CB 3.28Å; M171-T175 WeakPolarHBondContact O-CB 3.46Å; M171-T175 PolarHBondContact O-N 3.45Å; M171-T175 PolarHBondContact O-OG1 2.87Å
172A98.8Very high98.4Very high3 Ų338.7 Ų38.73%0.02523%0.225CC..Hα-helixtrans-61.3-47.917700000111.3L62 I63 T129 L168 L169 T175 S176L62-A172 HydrophobicContact CB-CB 3.9Å; I63-A172 HydrophobicContact CG1-CB 4.33Å; T129-A172 HydrophobicContact CG2-CB 4.24Å; L168-A172 VanDerWaalsContact O-CB 3.32Å; L168-A172 WeakPolarHBondContact O-CB 3.34Å; L168-A172 PolarHBondContact O-N 2.75Å; L169-A172 PolarHBondContact O-N 2.84Å; A172-T175 PolarHBondContact O-N 2.83Å; A172-S176 PolarHBondContact O-N 3.46Å; A172-S176 PolarHBondContact O-OG 2.87Å; A172-S176 VanDerWaalsContact O-OG 3.1Å
173I98.9Very high98.5Very high10 Ų1036.4 Ų36.45%0.05121%0.209CC..Hα-helixtrans-61.1-50.4176.9-67.8168000110.6I63 L169 V170 T175 S176 L177 L209 L210I63-I173 HydrophobicContact CD1-CG1 4.38Å; I63-I173 HydrophobicContact CG1-CG1 4.18Å; I63-I173 HydrophobicContact CG2-CG1 4.45Å; L169-I173 HydrophobicContact CD1-CD1 4.2Å; L169-I173 HydrophobicContact CG-CD1 4.09Å; L169-I173 WeakPolarHBondContact O-CG1 3.48Å; L169-I173 PolarHBondContact O-N 3.36Å; V170-I173 PolarHBondContact O-N 3.41Å; I173-T175 VanDerWaalsContact C-N 3.29Å; I173-T175 PolarHBondContact O-N 3.42Å; I173-S176 PolarHBondContact O-N 2.98Å; I173-S176 VanDerWaalsContact O-N 3.11Å; I173-L177 HydrophobicContact CG2-CD1 4.34Å; I173-L177 WeakPolarHBondContact O-CG 3.47Å; I173-L177 PolarHBondContact O-N 3.21Å; I173-L209 HydrophobicContact CG2-CB 4.3Å; I173-L210 HydrophobicContact CG2-CD2 4.16Å
174G98.8Very high98.5Very high33 Ų3329.9 Ų29.934%0.3418%0.18SC..Hα-helixtrans-57.2-42.8178.200000112.4V170 M171 L177 L178V170-G174 PolarHBondContact O-N 3.39Å; M171-G174 PolarHBondContact O-N 3.4Å; G174-L177 PolarHBondContact O-N 3.35Å; G174-L178 PolarHBondContact O-N 3.03Å; G174-L178 VanDerWaalsContact O-N 3.15Å
175T98.8Very high98.5Very high13 Ų1331.8 Ų31.88%0.0819%0.187CC..Hα-helixtrans-64.9-40.9176.1-57.60000111.7H122 C125 M171 A172 I173 L177 L178 G179H122-T175 PolarHBondContact CE1-O 2.89Å; H122-T175 WeakPolarHBondContact ND1-CG2 3.38Å; H122-T175 PolarHBondContact ND1-O 3.24Å; C125-T175 HydrophobicContact CB-CG2 4.43Å; M171-T175 VanDerWaalsContact O-CB 3.28Å; M171-T175 WeakPolarHBondContact O-CB 3.46Å; M171-T175 PolarHBondContact O-N 3.45Å; M171-T175 PolarHBondContact O-OG1 2.87Å; A172-T175 PolarHBondContact O-N 2.83Å; I173-T175 VanDerWaalsContact C-N 3.29Å; I173-T175 PolarHBondContact O-N 3.42Å; T175-L177 VanDerWaalsContact C-N 3.34Å; T175-L177 PolarHBondContact O-N 2.96Å; T175-L178 PolarHBondContact O-N 2.71Å; T175-G179 PolarHBondContact O-N 3.26Å
176S98.9Very high98.4Very high15 Ų1537.4 Ų37.411%0.10521%0.209CC..Hα-helixtrans-63.9-37.3175.7-64.80000112.4I63 A172 I173 G179 I180I63-S176 VanDerWaalsContact CD1-OG 3.28Å; I63-S176 WeakPolarHBondContact CD1-OG 3.39Å; A172-S176 PolarHBondContact O-N 3.46Å; A172-S176 PolarHBondContact O-OG 2.87Å; A172-S176 VanDerWaalsContact O-OG 3.1Å; I173-S176 PolarHBondContact O-N 2.98Å; I173-S176 VanDerWaalsContact O-N 3.11Å; S176-G179 PolarHBondContact O-N 3.45Å; S176-I180 WeakPolarHBondContact O-CB 3.3Å; S176-I180 WeakPolarHBondContact O-CG1 3.35Å; S176-I180 PolarHBondContact O-N 2.97Å
177L98.9Very high98.4Very high44 Ų4437.9 Ų37.923%0.2322%0.215CC..Hα-helixtrans-64.1-41.3174.9-63.6175.3000112.1I173 G174 T175 T181 G206 L210I173-L177 HydrophobicContact CG2-CD1 4.34Å; I173-L177 WeakPolarHBondContact O-CG 3.47Å; I173-L177 PolarHBondContact O-N 3.21Å; G174-L177 PolarHBondContact O-N 3.35Å; T175-L177 VanDerWaalsContact C-N 3.34Å; T175-L177 PolarHBondContact O-N 2.96Å; L177-T181 WeakPolarHBondContact O-CB 3.5Å; L177-T181 PolarHBondContact O-N 3.42Å; L177-T181 PolarHBondContact O-OG1 3.14Å; L177-G206 VanDerWaalsContact CD2-CA 3.49Å; L177-G206 WeakPolarHBondContact CD2-O 3.45Å; L177-L210 HydrophobicContact CD1-CD1 4.13Å; L177-L210 HydrophobicContact CD1-CD2 3.68Å; L177-L210 HydrophobicContact CD1-CG 3.86Å
178L98.8Very high98.3Very high63 Ų6336.5 Ų36.533%0.3321%0.206SC..Hα-helixtrans-60.8-46.4172.4-66.1175.1000110.9L121 H122 G174 T175 T181 E182L121-L178 HydrophobicContact CD2-CD1 4.35Å; L121-L178 HydrophobicContact CG-CD1 4.23Å; H122-L178 HydrophobicContact CB-CB 3.91Å; G174-L178 PolarHBondContact O-N 3.03Å; G174-L178 VanDerWaalsContact O-N 3.15Å; T175-L178 PolarHBondContact O-N 2.71Å; L178-T181 PolarHBondContact O-N 3.46Å; L178-E182 WeakPolarHBondContact O-CG 3.47Å; L178-E182 PolarHBondContact O-N 2.86Å
179G98.8Very high98.3Very high15 Ų1540 Ų4016%0.15523%0.227CC..Hα-helixtrans-65.4-40.1-179.700000113.6H122 T175 S176 T181 K183H122-G179 WeakPolarHBondContact ND1-CA 3.25Å; H122-G179 PolarHBondContact ND1-N 2.89Å; T175-G179 PolarHBondContact O-N 3.26Å; S176-G179 PolarHBondContact O-N 3.45Å; G179-T181 VanDerWaalsContact C-N 3.34Å; G179-K183 VanDerWaalsContact O-CB 3.29Å; G179-K183 WeakPolarHBondContact O-CB 3.29Å; G179-K183 PolarHBondContact O-N 2.73Å
180I98.8Very high98.2Very high12 Ų1246.9 Ų46.96%0.06226%0.264CS..Hα-helixtrans-59.1-48.8172.7-70.9163000109.5W34 S176 K183 L184 A202 L205 L209W34-I180 HydrophobicContact CH2-CB 4.4Å; W34-I180 HydrophobicContact CH2-CG1 4.35Å; W34-I180 HydrophobicContact CH2-CG2 4.11Å; W34-I180 HydrophobicContact CZ3-CB 4.47Å; W34-I180 HydrophobicContact CZ3-CG1 3.94Å; W34-I180 HydrophobicContact CZ3-CG2 4.32Å; S176-I180 WeakPolarHBondContact O-CB 3.3Å; S176-I180 WeakPolarHBondContact O-CG1 3.35Å; S176-I180 PolarHBondContact O-N 2.97Å; I180-K183 PolarHBondContact O-N 2.59Å; I180-L184 HydrophobicContact CG2-CD1 3.91Å; I180-L184 HydrophobicContact CG2-CG 4.46Å; I180-L184 VanDerWaalsContact O-CG 3.3Å; I180-L184 WeakPolarHBondContact O-CG 3.23Å; I180-L184 PolarHBondContact O-N 2.85Å; I180-A202 HydrophobicContact CG2-CB 4.13Å; I180-L205 HydrophobicContact CD1-CD2 4.19Å; I180-L205 HydrophobicContact CD1-CG 4.21Å; I180-L209 HydrophobicContact CD1-CD1 4Å
181T98.6Very high98.2Very high63 Ų6345.9 Ų45.939%0.38726%0.258SS..Hα-helixtrans-61.7-50.1-179.7-55.80000111.3L177 L178 G179 K183 L184 L185L177-T181 WeakPolarHBondContact O-CB 3.5Å; L177-T181 PolarHBondContact O-N 3.42Å; L177-T181 PolarHBondContact O-OG1 3.14Å; L178-T181 PolarHBondContact O-N 3.46Å; G179-T181 VanDerWaalsContact C-N 3.34Å; T181-K183 VanDerWaalsContact C-N 3.33Å; T181-K183 PolarHBondContact O-N 2.69Å; T181-L184 PolarHBondContact O-N 3.25Å; T181-L185 HydrophobicContact CG2-CD1 3.94Å; T181-L185 HydrophobicContact CG2-CG 4.37Å; T181-L185 WeakPolarHBondContact O-CB 3.28Å; T181-L185 VanDerWaalsContact O-CG 3.29Å; T181-L185 WeakPolarHBondContact O-CG 3.3Å; T181-L185 PolarHBondContact O-N 3.39Å
182E98.3Very high98.1Very high43 Ų4345.8 Ų45.820%0.20126%0.255CS..Hα-helixtrans-55.9-47.9176-77.9-178.3-167.900110.9S120 H122 L178 L184 L185 F186S120-E182 VanDerWaalsContact CB-OE1 3.26Å; S120-E182 WeakPolarHBondContact CB-OE1 3.25Å; S120-E182 PolarHBondContact OG-OE1 3.36Å; S120-E182 PolarHBondContact OG-OE2 3.14Å; H122-E182 VanDerWaalsContact CB-CD 3.48Å; H122-E182 VanDerWaalsContact CB-OE1 3.23Å; H122-E182 WeakPolarHBondContact CB-OE1 3.32Å; H122-E182 WeakPolarHBondContact CB-OE2 3.35Å; H122-E182 IonicContact CD2-OE2 3.19Å; H122-E182 IonicContact CG-OE2 3.38Å; L178-E182 WeakPolarHBondContact O-CG 3.47Å; L178-E182 PolarHBondContact O-N 2.86Å; E182-L184 PolarHBondContact O-N 3.49Å; E182-L185 PolarHBondContact O-N 3Å; E182-F186 HydrophobicContact CB-CD2 4.46Å; E182-F186 HydrophobicContact CB-CE2 3.96Å; E182-F186 HydrophobicContact CB-CZ 4.36Å; E182-F186 WeakPolarHBondContact O-CB 3.29Å; E182-F186 VanDerWaalsContact O-CD2 3.23Å; E182-F186 WeakPolarHBondContact O-CD2 3.33Å; E182-F186 WeakPolarHBondContact O-CG 3.31Å; E182-F186 PolarHBondContact O-N 2.75Å
183K98.2Very high98.1Very high33 Ų3350 Ų5014%0.14329%0.285CS..Hα-helixtrans-62.9-41.5-178.7-177.357.2177.2175.80112.6W34 F51 G179 I180 T181 F186 S187W34-K183 HydrophobicContact CH2-CB 4.06Å; W34-K183 HydrophobicContact CH2-CG 3.97Å; W34-K183 HydrophobicContact CZ2-CB 4.38Å; W34-K183 HydrophobicContact CZ2-CG 3.95Å; F51-K183 HydrophobicContact CD1-CD 4.37Å; F51-K183 HydrophobicContact CE1-CD 3.54Å; F51-K183 HydrophobicContact CE1-CG 4.26Å; F51-K183 HydrophobicContact CZ-CD 4.05Å; G179-K183 VanDerWaalsContact O-CB 3.29Å; G179-K183 WeakPolarHBondContact O-CB 3.29Å; G179-K183 PolarHBondContact O-N 2.73Å; I180-K183 PolarHBondContact O-N 2.59Å; T181-K183 VanDerWaalsContact C-N 3.33Å; T181-K183 PolarHBondContact O-N 2.69Å; K183-F186 PolarHBondContact O-N 2.96Å; K183-S187 WeakPolarHBondContact CD-OG 3.5Å; K183-S187 WeakPolarHBondContact CE-OG 3.29Å; K183-S187 PolarHBondContact NZ-OG 3.33Å; K183-S187 VanDerWaalsContact O-CB 3.22Å; K183-S187 WeakPolarHBondContact O-CB 3.17Å; K183-S187 PolarHBondContact O-N 3.15Å; K183-S187 VanDerWaalsContact O-N 3.12Å; K183-S187 PolarHBondContact O-OG 3.05Å
184L98.4Very high98Very high0 Ų055.8 Ų55.80%032%0.315CS..Hα-helixtrans-64.2-46.4175.8-69.8171.3000111.2W34 I180 T181 E182 F186 S187 I188 Y192 A202W34-L184 HydrophobicContact CH2-CG 4.47Å; W34-L184 HydrophobicContact CZ2-CD2 3.76Å; W34-L184 HydrophobicContact CZ2-CG 4.07Å; I180-L184 HydrophobicContact CG2-CD1 3.91Å; I180-L184 HydrophobicContact CG2-CG 4.46Å; I180-L184 VanDerWaalsContact O-CG 3.3Å; I180-L184 WeakPolarHBondContact O-CG 3.23Å; I180-L184 PolarHBondContact O-N 2.85Å; T181-L184 PolarHBondContact O-N 3.25Å; E182-L184 PolarHBondContact O-N 3.49Å; L184-F186 VanDerWaalsContact C-N 3.27Å; L184-F186 PolarHBondContact O-N 3.35Å; L184-S187 PolarHBondContact O-N 3.32Å; L184-I188 HydrophobicContact CB-CG1 4.42Å; L184-I188 HydrophobicContact CD2-CD1 3.72Å; L184-I188 HydrophobicContact CD2-CG1 4.08Å; L184-I188 VanDerWaalsContact O-CG1 3.28Å; L184-I188 WeakPolarHBondContact O-CG1 3.44Å; L184-I188 PolarHBondContact O-N 2.98Å; L184-Y192 HydrophobicContact CB-CE2 4.47Å; L184-Y192 HydrophobicContact CD1-CE2 3.79Å; L184-A202 HydrophobicContact CD1-CB 3.76Å; L184-A202 HydrophobicContact CD2-CB 3.7Å; L184-A202 HydrophobicContact CG-CB 4.07Å
185L97.9Very high97.9Very high80 Ų8062.1 Ų62.142%0.41933%0.333SS..Hα-helixtrans-66.4-26.3179.4-69.1179000113.3T181 E182 T189 Y192T181-L185 HydrophobicContact CG2-CD1 3.94Å; T181-L185 HydrophobicContact CG2-CG 4.37Å; T181-L185 WeakPolarHBondContact O-CB 3.28Å; T181-L185 VanDerWaalsContact O-CG 3.29Å; T181-L185 WeakPolarHBondContact O-CG 3.3Å; T181-L185 PolarHBondContact O-N 3.39Å; E182-L185 PolarHBondContact O-N 3Å; L185-T189 WeakPolarHBondContact O-CB 3.37Å; L185-T189 PolarHBondContact O-OG1 3.34Å; L185-Y192 HydrophobicContact CD2-CD1 3.97Å; L185-Y192 HydrophobicContact CD2-CE1 4.3Å
186F96.1Very high97.9Very high126 Ų12662.4 Ų62.455%0.55334%0.337SS*.Hα-helixtrans-83.1-26.7174.9-63.9-27.5000113.7E182 K183 L184E182-F186 HydrophobicContact CB-CD2 4.46Å; E182-F186 HydrophobicContact CB-CE2 3.96Å; E182-F186 HydrophobicContact CB-CZ 4.36Å; E182-F186 WeakPolarHBondContact O-CB 3.29Å; E182-F186 VanDerWaalsContact O-CD2 3.23Å; E182-F186 WeakPolarHBondContact O-CD2 3.33Å; E182-F186 WeakPolarHBondContact O-CG 3.31Å; E182-F186 PolarHBondContact O-N 2.75Å; K183-F186 PolarHBondContact O-N 2.96Å; L184-F186 VanDerWaalsContact C-N 3.27Å; L184-F186 PolarHBondContact O-N 3.35Å
187S96.6Very high97.8Very high41 Ų4166 Ų6629%0.28736%0.36SS..Hα-helixtrans-114.4-20.4-164.2-43.50000114.1K183 L184K183-S187 WeakPolarHBondContact CD-OG 3.5Å; K183-S187 WeakPolarHBondContact CE-OG 3.29Å; K183-S187 PolarHBondContact NZ-OG 3.33Å; K183-S187 VanDerWaalsContact O-CB 3.22Å; K183-S187 WeakPolarHBondContact O-CB 3.17Å; K183-S187 PolarHBondContact O-N 3.15Å; K183-S187 VanDerWaalsContact O-N 3.12Å; K183-S187 PolarHBondContact O-OG 3.05Å; L184-S187 PolarHBondContact O-N 3.32Å
188I97.4Very high97.8Very high20 Ų2064.8 Ų64.810%0.10335%0.353CS..SBendtrans-140.729.3178.959.4160.8000112.8L184 D190 T191 Y192 A196 E198L184-I188 HydrophobicContact CB-CG1 4.42Å; L184-I188 HydrophobicContact CD2-CD1 3.72Å; L184-I188 HydrophobicContact CD2-CG1 4.08Å; L184-I188 VanDerWaalsContact O-CG1 3.28Å; L184-I188 WeakPolarHBondContact O-CG1 3.44Å; L184-I188 PolarHBondContact O-N 2.98Å; I188-D190 VanDerWaalsContact C-N 3.27Å; I188-D190 PolarHBondContact O-N 2.93Å; I188-D190 VanDerWaalsContact O-N 3.11Å; I188-T191 CarbonylContact O-C 3.32Å; I188-T191 PolarHBondContact O-N 3.43Å; I188-T191 PolarHBondContact O-OG1 3.13Å; I188-Y192 HydrophobicContact CD1-CD2 4.09Å; I188-Y192 WeakPolarHBondContact O-CB 3.49Å; I188-Y192 PolarHBondContact O-N 2.9Å; I188-A196 HydrophobicContact CD1-CB 4.45Å; I188-E198 HydrophobicContact CD1-CB 4.47Å; I188-E198 WeakPolarHBondContact CG2-OE2 3.23Å
189T97.1Very high97.8Very high80 Ų8061.9 Ų61.949%0.49134%0.338SS..Hα-helixtrans-43.8-50.3-174.6-31.80000113.4L185 T191L185-T189 WeakPolarHBondContact O-CB 3.37Å; L185-T189 PolarHBondContact O-OG1 3.34Å; T189-T191 VanDerWaalsContact C-N 3.3Å; T189-T191 PolarHBondContact O-N 3.23Å
190D97.4Very high97.8Very high145 Ų14564.2 Ų64.278%0.77535%0.349SS*.Hα-helixtrans-72-23.4-173.3-58.3-37.9000113.5I188I188-D190 VanDerWaalsContact C-N 3.27Å; I188-D190 PolarHBondContact O-N 2.93Å; I188-D190 VanDerWaalsContact O-N 3.11Å
191T97.5Very high97.8Very high63 Ų6365.1 Ų65.139%0.38735%0.354SS..Hα-helixtrans-109.6-8.4-177600000112.9I188 T189 L194 A196I188-T191 CarbonylContact O-C 3.32Å; I188-T191 PolarHBondContact O-N 3.43Å; I188-T191 PolarHBondContact O-OG1 3.13Å; T189-T191 VanDerWaalsContact C-N 3.3Å; T189-T191 PolarHBondContact O-N 3.23Å; T191-L194 WeakPolarHBondContact O-CB 3.48Å; T191-L194 PolarHBondContact O-N 3.33Å; T191-L194 VanDerWaalsContact O-N 3.13Å; T191-A196 WeakPolarHBondContact O-CB 3.44Å; T191-A196 PolarHBondContact O-N 2.89Å
192Y97.8Very high97.8Very high60 Ų6062.1 Ų62.124%0.23534%0.335CS..Hα-helixtrans-64.7-44.5-176.3-176.4-138.3000112.1L184 L185 I188 L194 F195 N203L184-Y192 HydrophobicContact CB-CE2 4.47Å; L184-Y192 HydrophobicContact CD1-CE2 3.79Å; L185-Y192 HydrophobicContact CD2-CD1 3.97Å; L185-Y192 HydrophobicContact CD2-CE1 4.3Å; I188-Y192 HydrophobicContact CD1-CD2 4.09Å; I188-Y192 WeakPolarHBondContact O-CB 3.49Å; I188-Y192 PolarHBondContact O-N 2.9Å; Y192-L194 PolarHBondContact O-N 2.62Å; Y192-F195 PolarHBondContact O-N 2.96Å; Y192-N203 PolarHBondContact OH-ND2 2.95Å; Y192-N203 PolarHBondContact OH-OD1 3.48Å
193S97.3Very high97.8Very high92 Ų9263.1 Ų63.164%0.64334%0.342SS*.THydrogen-bonded Turntrans-68-15.2176.258.40000113.7F195S193-F195 VanDerWaalsContact C-N 3.31Å
194L97.9Very high97.8Very high130 Ų13066.1 Ų66.168%0.68136%0.358SS*.THydrogen-bonded Turntrans-92.812.1177.9-55.5178.9000112.6T191 Y192 A196T191-L194 WeakPolarHBondContact O-CB 3.48Å; T191-L194 PolarHBondContact O-N 3.33Å; T191-L194 VanDerWaalsContact O-N 3.13Å; Y192-L194 PolarHBondContact O-N 2.62Å; L194-A196 PolarHBondContact O-N 3.26Å
195F96.6Very high97.8Very high166 Ų16666.1 Ų66.173%0.72836%0.358SS*.THydrogen-bonded Turntrans5843.1-179.2-61.6-92.6000113.2Y192 S193 V200Y192-F195 PolarHBondContact O-N 2.96Å; S193-F195 VanDerWaalsContact C-N 3.31Å; F195-V200 HydrophobicContact CB-CG2 4.22Å; F195-V200 HydrophobicContact CD1-CG2 4.42Å
196A97.8Very high97.8Very high19 Ų1962.7 Ų62.716%0.15734%0.342CS..  trans-49135.7169.900000110.4I188 T191 L194 E198 G199 V200I188-A196 HydrophobicContact CD1-CB 4.45Å; T191-A196 WeakPolarHBondContact O-CB 3.44Å; T191-A196 PolarHBondContact O-N 2.89Å; L194-A196 PolarHBondContact O-N 3.26Å; A196-E198 PolarHBondContact O-N 3.11Å; A196-G199 WeakPolarHBondContact O-CA 3.4Å; A196-G199 PolarHBondContact O-N 3.37Å; A196-V200 PolarHBondContact O-N 2.99Å; A196-V200 VanDerWaalsContact O-N 3.09Å
197P98.3Very high98Very high92 Ų9260.2 Ų60.260%0.59733%0.334SS*.Hα-helixtrans-53.5-34.9-175.4-29.535.2000113.7Y38 V200 L201Y38-P197 HydrophobicContact CE1-CB 4.47Å; P197-V200 PolarHBondContact O-N 2.83Å; P197-L201 WeakPolarHBondContact O-CB 3.41Å; P197-L201 PolarHBondContact O-N 3.46Å
198E98.2Very high98.1Very high18 Ų1859.7 Ų59.78%0.08433%0.327CS..Hα-helixtrans-59.7-47.9173.7-172.5-178.5177.300112.6W34 Y38 R39 I188 A196 V200 L201 A202W34-E198 PolarHBondContact NE1-OE1 2.95Å; Y38-E198 HydrophobicContact CD1-CB 3.53Å; Y38-E198 HydrophobicContact CD1-CG 3.78Å; Y38-E198 HydrophobicContact CE1-CB 3.81Å; Y38-E198 HydrophobicContact CE1-CG 4.43Å; Y38-E198 HydrophobicContact CG-CB 4.09Å; Y38-E198 HydrophobicContact CG-CG 3.83Å; R39-E198 VanDerWaalsContact CZ-CD 3.47Å; R39-E198 IonicContact CZ-OE1 3.79Å; R39-E198 IonicContact CZ-OE2 3.73Å; R39-E198 IonicContact NE-OE1 3.94Å; R39-E198 PolarHBondContact NE-OE1 3.23Å; R39-E198 IonicContact NH1-OE1 3.87Å; R39-E198 IonicContact NH1-OE2 2.73Å; R39-E198 IonicContact NH2-OE1 2.75Å; R39-E198 PolarHBondContact NH2-OE1 3.35Å; R39-E198 IonicContact NH2-OE2 2.59Å; R39-E198 PolarHBondContact NH2-OE2 3.4Å; R39-E198 VanDerWaalsContact NH2-OE2 3.14Å; I188-E198 HydrophobicContact CD1-CB 4.47Å; I188-E198 WeakPolarHBondContact CG2-OE2 3.23Å; A196-E198 PolarHBondContact O-N 3.11Å; E198-V200 VanDerWaalsContact C-N 3.33Å; E198-V200 PolarHBondContact O-N 3.25Å; E198-L201 PolarHBondContact O-N 3.41Å; E198-A202 PolarHBondContact O-N 2.9Å
199G98.3Very high98.1Very high1 Ų158.8 Ų58.81%0.0132%0.323CS..Hα-helixtrans-64.7-38178.900000112.1A196 A202 N203A196-G199 WeakPolarHBondContact O-CA 3.4Å; A196-G199 PolarHBondContact O-N 3.37Å; G199-A202 PolarHBondContact O-N 2.89Å; G199-N203 WeakPolarHBondContact O-CB 3.28Å; G199-N203 PolarHBondContact O-N 2.85Å; G199-N203 PolarHBondContact O-ND2 3.3Å
200V98.6Very high98.2Very high64 Ų6459.1 Ų59.139%0.38832%0.321SS..Hα-helixtrans-62.3-46.4173.8178.10000110.7F195 A196 P197 E198 A202 N203 M204F195-V200 HydrophobicContact CB-CG2 4.22Å; F195-V200 HydrophobicContact CD1-CG2 4.42Å; A196-V200 PolarHBondContact O-N 2.99Å; A196-V200 VanDerWaalsContact O-N 3.09Å; P197-V200 PolarHBondContact O-N 2.83Å; E198-V200 VanDerWaalsContact C-N 3.33Å; E198-V200 PolarHBondContact O-N 3.25Å; V200-A202 PolarHBondContact O-N 3.32Å; V200-N203 PolarHBondContact O-N 2.97Å; V200-M204 HydrophobicContact CG1-CG 4.46Å; V200-M204 WeakPolarHBondContact O-CB 3.26Å; V200-M204 VanDerWaalsContact O-CG 3.3Å; V200-M204 WeakPolarHBondContact O-CG 3.48Å; V200-M204 PolarHBondContact O-N 3.12Å
201L98.6Very high98.3Very high31 Ų3158.2 Ų58.216%0.16231%0.31CS..Hα-helixtrans-61.5-45.1178.8-179.2133.3000112.1L30 V33 W34 Y38 P197 E198 M204 L205L30-L201 HydrophobicContact CD2-CD1 4.12Å; L30-L201 HydrophobicContact CD2-CG 4.44Å; V33-L201 HydrophobicContact CG1-CD1 4.19Å; W34-L201 HydrophobicContact CB-CD2 3.57Å; W34-L201 HydrophobicContact CG-CD2 4Å; Y38-L201 HydrophobicContact CE2-CD1 4.19Å; P197-L201 WeakPolarHBondContact O-CB 3.41Å; P197-L201 PolarHBondContact O-N 3.46Å; E198-L201 PolarHBondContact O-N 3.41Å; L201-M204 PolarHBondContact O-N 3.33Å; L201-L205 PolarHBondContact O-N 3.46Å
202A98.6Very high98.3Very high0 Ų055.2 Ų55.20%029%0.292CS..Hα-helixtrans-67.5-35.417800000112.9W34 I180 L184 E198 G199 V200 L205 G206W34-A202 HydrophobicContact CD2-CB 4.01Å; W34-A202 HydrophobicContact CE3-CB 4.24Å; W34-A202 HydrophobicContact CH2-CB 4.08Å; W34-A202 HydrophobicContact CZ2-CB 3.82Å; W34-A202 HydrophobicContact CZ3-CB 4.29Å; I180-A202 HydrophobicContact CG2-CB 4.13Å; L184-A202 HydrophobicContact CD1-CB 3.76Å; L184-A202 HydrophobicContact CD2-CB 3.7Å; L184-A202 HydrophobicContact CG-CB 4.07Å; E198-A202 PolarHBondContact O-N 2.9Å; G199-A202 PolarHBondContact O-N 2.89Å; V200-A202 PolarHBondContact O-N 3.32Å; A202-L205 WeakPolarHBondContact O-CB 3.38Å; A202-L205 PolarHBondContact O-N 3.24Å; A202-G206 PolarHBondContact O-N 3.26Å
203N98.6Very high98.3Very high65 Ų6552.7 Ų52.735%0.34828%0.284SS..Hα-helixtrans-66.9-41.8173-75.7-14.1000112.1Y192 G199 V200 L205 G206 I207Y192-N203 PolarHBondContact OH-ND2 2.95Å; Y192-N203 PolarHBondContact OH-OD1 3.48Å; G199-N203 WeakPolarHBondContact O-CB 3.28Å; G199-N203 PolarHBondContact O-N 2.85Å; G199-N203 PolarHBondContact O-ND2 3.3Å; V200-N203 PolarHBondContact O-N 2.97Å; N203-L205 VanDerWaalsContact C-N 3.31Å; N203-L205 PolarHBondContact O-N 3.01Å; N203-G206 PolarHBondContact O-N 3.38Å; N203-G206 VanDerWaalsContact O-N 3.16Å; N203-I207 WeakPolarHBondContact O-CG1 3.5Å; N203-I207 PolarHBondContact O-N 3.39Å
204M98.7Very high98.4Very high95 Ų9553 Ų5347%0.46828%0.282SS..Hα-helixtrans-61.9-40173.8-72.5-57.4-59.600111.7V200 L201 I207 L208V200-M204 HydrophobicContact CG1-CG 4.46Å; V200-M204 WeakPolarHBondContact O-CB 3.26Å; V200-M204 VanDerWaalsContact O-CG 3.3Å; V200-M204 WeakPolarHBondContact O-CG 3.48Å; V200-M204 PolarHBondContact O-N 3.12Å; L201-M204 PolarHBondContact O-N 3.33Å; M204-I207 PolarHBondContact O-N 2.93Å; M204-I207 HydrophobicContact SD-CD1 4.29Å; M204-L208 VanDerWaalsContact O-CG 3.29Å; M204-L208 WeakPolarHBondContact O-CG 3.28Å; M204-L208 PolarHBondContact O-N 2.94Å
205L98.8Very high98.4Very high1 Ų148 Ų481%0.00526%0.256CS..Hα-helixtrans-56.1-50.6170.5170.463.1000110.8S27 L30 T31 W34 I180 L201 A202 N203 I207 L208 L209S27-L205 VanDerWaalsContact O-CD1 3.29Å; S27-L205 WeakPolarHBondContact O-CD1 3.32Å; L30-L205 HydrophobicContact CB-CD1 4.34Å; T31-L205 VanDerWaalsContact OG1-CD2 3.29Å; T31-L205 WeakPolarHBondContact OG1-CD2 3.34Å; W34-L205 HydrophobicContact CE3-CD2 4.05Å; W34-L205 HydrophobicContact CZ3-CD2 4.46Å; I180-L205 HydrophobicContact CD1-CD2 4.19Å; I180-L205 HydrophobicContact CD1-CG 4.21Å; L201-L205 PolarHBondContact O-N 3.46Å; A202-L205 WeakPolarHBondContact O-CB 3.38Å; A202-L205 PolarHBondContact O-N 3.24Å; N203-L205 VanDerWaalsContact C-N 3.31Å; N203-L205 PolarHBondContact O-N 3.01Å; L205-I207 VanDerWaalsContact C-N 3.31Å; L205-I207 PolarHBondContact O-N 2.83Å; L205-L208 WeakPolarHBondContact O-CB 3.44Å; L205-L208 PolarHBondContact O-N 3.48Å; L205-L208 VanDerWaalsContact O-N 3.09Å; L205-L209 HydrophobicContact CD1-CD2 4.2Å; L205-L209 HydrophobicContact CD1-CG 4.17Å; L205-L209 WeakPolarHBondContact O-CG 3.42Å; L205-L209 PolarHBondContact O-N 3.48Å
206G98.7Very high98.4Very high7 Ų740 Ų407%0.07222%0.221CC..Hα-helixtrans-56.1-42.4177.600000113.6L177 A202 N203 L209 L210L177-G206 VanDerWaalsContact CD2-CA 3.49Å; L177-G206 WeakPolarHBondContact CD2-O 3.45Å; A202-G206 PolarHBondContact O-N 3.26Å; N203-G206 PolarHBondContact O-N 3.38Å; N203-G206 VanDerWaalsContact O-N 3.16Å; G206-L209 PolarHBondContact O-N 3.33Å; G206-L210 PolarHBondContact O-N 3.15Å; G206-L210 VanDerWaalsContact O-N 3.14Å
207I98.7Very high98.4Very high75 Ų7541.4 Ų41.439%0.38523%0.227SC..Hα-helixtrans-63.7-42.1175.7-68.2168.7000111.4N203 M204 L205 L209 L210 F211N203-I207 WeakPolarHBondContact O-CG1 3.5Å; N203-I207 PolarHBondContact O-N 3.39Å; M204-I207 PolarHBondContact O-N 2.93Å; M204-I207 HydrophobicContact SD-CD1 4.29Å; L205-I207 VanDerWaalsContact C-N 3.31Å; L205-I207 PolarHBondContact O-N 2.83Å; I207-L209 PolarHBondContact O-N 3.49Å; I207-L210 WeakPolarHBondContact O-CB 3.35Å; I207-L210 PolarHBondContact O-N 2.98Å; I207-F211 HydrophobicContact CG2-CD2 3.63Å; I207-F211 HydrophobicContact CG2-CE2 3.32Å; I207-F211 HydrophobicContact CG2-CZ 4.29Å; I207-F211 WeakPolarHBondContact O-CD2 3.29Å; I207-F211 PolarHBondContact O-N 3.08Å
208L98.6Very high98.3Very high30 Ų3041.2 Ų41.216%0.15722%0.215CC..Hα-helixtrans-64.1-39.7177.4-71.4167.3000112.1L23 V26 L30 M204 L205 L210 F211 Y212L23-L208 HydrophobicContact CD2-CD2 3.64Å; V26-L208 HydrophobicContact CG1-CD1 3.91Å; L30-L208 HydrophobicContact CD1-CD1 3.39Å; M204-L208 VanDerWaalsContact O-CG 3.29Å; M204-L208 WeakPolarHBondContact O-CG 3.28Å; M204-L208 PolarHBondContact O-N 2.94Å; L205-L208 WeakPolarHBondContact O-CB 3.44Å; L205-L208 PolarHBondContact O-N 3.48Å; L205-L208 VanDerWaalsContact O-N 3.09Å; L208-L210 VanDerWaalsContact C-N 3.31Å; L208-L210 PolarHBondContact O-N 3.4Å; L208-F211 PolarHBondContact O-N 3.18Å; L208-Y212 VanDerWaalsContact O-CB 3.28Å; L208-Y212 WeakPolarHBondContact O-CB 3.37Å; L208-Y212 PolarHBondContact O-N 2.99Å
209L98.8Very high98.2Very high0 Ų040.3 Ų40.30%021%0.211CC..Hα-helixtrans-60.7-40.7174.6-63-175.9000111.6V59 I63 I173 I180 L205 G206 I207 G213V59-L209 HydrophobicContact CG1-CD2 4.2Å; V59-L209 HydrophobicContact CG2-CD1 4.41Å; I63-L209 HydrophobicContact CD1-CD1 3.95Å; I63-L209 HydrophobicContact CD1-CD2 4.07Å; I63-L209 HydrophobicContact CG2-CD2 4.16Å; I173-L209 HydrophobicContact CG2-CB 4.3Å; I180-L209 HydrophobicContact CD1-CD1 4Å; L205-L209 HydrophobicContact CD1-CD2 4.2Å; L205-L209 HydrophobicContact CD1-CG 4.17Å; L205-L209 WeakPolarHBondContact O-CG 3.42Å; L205-L209 PolarHBondContact O-N 3.48Å; G206-L209 PolarHBondContact O-N 3.33Å; I207-L209 PolarHBondContact O-N 3.49Å; L209-G213 PolarHBondContact O-N 3.09Å
210L98.6Very high98Very high87 Ų8741.3 Ų41.346%0.45522%0.216SC..Hα-helixtrans-63.5-48.7175-76172.9000112I173 L177 G206 I207 L208 Y212 G213 V214I173-L210 HydrophobicContact CG2-CD2 4.16Å; L177-L210 HydrophobicContact CD1-CD1 4.13Å; L177-L210 HydrophobicContact CD1-CD2 3.68Å; L177-L210 HydrophobicContact CD1-CG 3.86Å; G206-L210 PolarHBondContact O-N 3.15Å; G206-L210 VanDerWaalsContact O-N 3.14Å; I207-L210 WeakPolarHBondContact O-CB 3.35Å; I207-L210 PolarHBondContact O-N 2.98Å; L208-L210 VanDerWaalsContact C-N 3.31Å; L208-L210 PolarHBondContact O-N 3.4Å; L210-Y212 VanDerWaalsContact C-N 3.34Å; L210-Y212 PolarHBondContact O-N 3.5Å; L210-G213 PolarHBondContact O-N 3.15Å; L210-V214 WeakPolarHBondContact O-CG2 3.47Å; L210-V214 PolarHBondContact O-N 3.45Å
211F98.6Very high97.8Very high127 Ų12742 Ų4256%0.55722%0.221SC*.Hα-helixtrans-63.1-40.6178.3-75.3-49.4000112.5L23 I207 L208 V214 L215L23-F211 HydrophobicContact CD1-CB 4.49Å; I207-F211 HydrophobicContact CG2-CD2 3.63Å; I207-F211 HydrophobicContact CG2-CE2 3.32Å; I207-F211 HydrophobicContact CG2-CZ 4.29Å; I207-F211 WeakPolarHBondContact O-CD2 3.29Å; I207-F211 PolarHBondContact O-N 3.08Å; L208-F211 PolarHBondContact O-N 3.18Å; F211-V214 PolarHBondContact O-N 3.34Å; F211-L215 VanDerWaalsContact O-CB 3.31Å; F211-L215 WeakPolarHBondContact O-CB 3.42Å; F211-L215 PolarHBondContact O-N 3.34Å
212Y98.5Very high97.4Very high0 Ų045.5 Ų45.50%023%0.231CC..Hα-helixtrans-58.1-48.4173.1177.5-105.3000111.3S20 L23 I63 F64 G67 L208 L210 L215 L216S20-Y212 WeakPolarHBondContact O-CD2 3.24Å; S20-Y212 VanDerWaalsContact O-CE2 3.24Å; S20-Y212 WeakPolarHBondContact O-CE2 3.43Å; L23-Y212 HydrophobicContact CB-CD2 4.13Å; I63-Y212 HydrophobicContact CG2-CD1 3.63Å; I63-Y212 HydrophobicContact CG2-CE1 3.56Å; I63-Y212 WeakPolarHBondContact O-CE1 3.39Å; I63-Y212 PolarHBondContact O-OH 3.08Å; F64-Y212 PolarHBondContact O-OH 2.93Å; G67-Y212 WeakPolarHBondContact CA-OH 3.22Å; L208-Y212 VanDerWaalsContact O-CB 3.28Å; L208-Y212 WeakPolarHBondContact O-CB 3.37Å; L208-Y212 PolarHBondContact O-N 2.99Å; L210-Y212 VanDerWaalsContact C-N 3.34Å; L210-Y212 PolarHBondContact O-N 3.5Å; Y212-L215 PolarHBondContact O-N 3.02Å; Y212-L216 HydrophobicContact CD1-CD1 4.09Å; Y212-L216 HydrophobicContact CE1-CD1 3.4Å; Y212-L216 VanDerWaalsContact CE1-CD1 3.4Å; Y212-L216 HydrophobicContact CE1-CG 4.2Å; Y212-L216 HydrophobicContact CE2-CD1 4.05Å; Y212-L216 HydrophobicContact CE2-CD2 4.44Å; Y212-L216 HydrophobicContact CE2-CG 4.19Å; Y212-L216 VanDerWaalsContact CZ-CD1 3.4Å; Y212-L216 WeakPolarHBondContact O-CG 3.33Å; Y212-L216 PolarHBondContact O-N 3.09Å
213G98.1Very high96.8Very high7 Ų751.5 Ų51.57%0.07226%0.259CS..Hα-helixtrans-59.1-48.3176.900000113.4L209 L210 L215 L216 V217L209-G213 PolarHBondContact O-N 3.09Å; L210-G213 PolarHBondContact O-N 3.15Å; G213-L215 VanDerWaalsContact C-N 3.33Å; G213-L215 PolarHBondContact O-N 3.33Å; G213-L216 PolarHBondContact O-N 3.46Å; G213-V217 VanDerWaalsContact O-CG2 3.29Å; G213-V217 WeakPolarHBondContact O-CG2 3.18Å; G213-V217 PolarHBondContact O-N 3.41Å
214V98.3Very high96.2Very high98 Ų9855.8 Ų55.859%0.59428%0.277SS*.Hα-helixtrans-60.1-44.2177.9170.50000111L210 F211 V217 Y218L210-V214 WeakPolarHBondContact O-CG2 3.47Å; L210-V214 PolarHBondContact O-N 3.45Å; F211-V214 PolarHBondContact O-N 3.34Å; V214-V217 PolarHBondContact O-N 2.79Å; V214-Y218 WeakPolarHBondContact O-CB 3.33Å; V214-Y218 PolarHBondContact O-N 3.28Å
215L98.2Very high95.6Very high24 Ų2452.5 Ų52.513%0.12626%0.26CS..Hα-helixtrans-63.4-42.2178178.658.6000111.9L16 A19 L23 F211 Y212 G213 Y218 L219L16-L215 HydrophobicContact CB-CD1 4.27Å; L16-L215 HydrophobicContact CD2-CD1 3.88Å; A19-L215 HydrophobicContact CB-CD2 4.09Å; L23-L215 HydrophobicContact CD1-CD2 3.91Å; F211-L215 VanDerWaalsContact O-CB 3.31Å; F211-L215 WeakPolarHBondContact O-CB 3.42Å; F211-L215 PolarHBondContact O-N 3.34Å; Y212-L215 PolarHBondContact O-N 3.02Å; G213-L215 VanDerWaalsContact C-N 3.33Å; G213-L215 PolarHBondContact O-N 3.33Å; L215-Y218 WeakPolarHBondContact O-CB 3.43Å; L215-Y218 PolarHBondContact O-N 3.48Å; L215-L219 HydrophobicContact CD1-CD1 4.27Å; L215-L219 HydrophobicContact CD1-CG 4.37Å; L215-L219 HydrophobicContact CG-CD1 4.16Å; L215-L219 WeakPolarHBondContact O-CG 3.47Å; L215-L219 PolarHBondContact O-N 3.35Å
216L97.6Very high95Very high0 Ų059.4 Ų59.40%029%0.286CS..Hα-helixtrans-65.5-45175.5-73-167.9000112.3I70 L71 L169 Y212 G213 Y218 L219 I220I70-L216 HydrophobicContact CD1-CD1 4.31Å; L71-L216 HydrophobicContact CD1-CD2 3.28Å; L71-L216 HydrophobicContact CD2-CD2 4.26Å; L71-L216 HydrophobicContact CG-CD2 3.75Å; L169-L216 HydrophobicContact CD1-CD1 4.44Å; L169-L216 HydrophobicContact CD2-CB 3.8Å; L169-L216 HydrophobicContact CD2-CD1 3.57Å; L169-L216 HydrophobicContact CD2-CG 4.34Å; Y212-L216 HydrophobicContact CD1-CD1 4.09Å; Y212-L216 HydrophobicContact CE1-CD1 3.4Å; Y212-L216 VanDerWaalsContact CE1-CD1 3.4Å; Y212-L216 HydrophobicContact CE1-CG 4.2Å; Y212-L216 HydrophobicContact CE2-CD1 4.05Å; Y212-L216 HydrophobicContact CE2-CD2 4.44Å; Y212-L216 HydrophobicContact CE2-CG 4.19Å; Y212-L216 VanDerWaalsContact CZ-CD1 3.4Å; Y212-L216 WeakPolarHBondContact O-CG 3.33Å; Y212-L216 PolarHBondContact O-N 3.09Å; G213-L216 PolarHBondContact O-N 3.46Å; L216-Y218 PolarHBondContact O-N 3.16Å; L216-L219 HydrophobicContact CD2-CD1 4.41Å; L216-L219 PolarHBondContact O-N 2.91Å; L216-I220 VanDerWaalsContact O-CB 3.27Å; L216-I220 WeakPolarHBondContact O-CB 3.33Å; L216-I220 WeakPolarHBondContact O-CG1 3.5Å; L216-I220 PolarHBondContact O-N 3.01Å
217V97.4Very high94.2Very high48 Ų4861 Ų6129%0.29129%0.29SS..Hα-helixtrans-55.9-44.4173.9169.70000110.2L166 V170 G213 V214 I220 T221L166-V217 HydrophobicContact CD1-CB 4.49Å; L166-V217 HydrophobicContact CD1-CG2 3.78Å; L166-V217 HydrophobicContact CD2-CG1 4.39Å; L166-V217 HydrophobicContact CD2-CG2 4.34Å; L166-V217 HydrophobicContact CG-CG2 4.23Å; V170-V217 HydrophobicContact CG2-CG2 4.43Å; G213-V217 VanDerWaalsContact O-CG2 3.29Å; G213-V217 WeakPolarHBondContact O-CG2 3.18Å; G213-V217 PolarHBondContact O-N 3.41Å; V214-V217 PolarHBondContact O-N 2.79Å; V217-I220 PolarHBondContact O-N 2.87Å; V217-T221 HydrophobicContact CG1-CG2 4.3Å; V217-T221 WeakPolarHBondContact O-CB 3.33Å; V217-T221 VanDerWaalsContact O-CG2 3.25Å; V217-T221 WeakPolarHBondContact O-CG2 3.07Å; V217-T221 PolarHBondContact O-N 2.88Å; V217-T221 PolarHBondContact O-OG1 3.39Å
218Y96.7Very high93.2Very high87 Ų8761.6 Ų61.634%0.34130%0.298SS..Hα-helixtrans-60.3-52.4176.3-179.8-96.1000112.1L16 V214 L215 L216 I220 T221 R222L16-Y218 HydrophobicContact CD1-CD1 4.24Å; L16-Y218 HydrophobicContact CD1-CE1 3.74Å; V214-Y218 WeakPolarHBondContact O-CB 3.33Å; V214-Y218 PolarHBondContact O-N 3.28Å; L215-Y218 WeakPolarHBondContact O-CB 3.43Å; L215-Y218 PolarHBondContact O-N 3.48Å; L216-Y218 PolarHBondContact O-N 3.16Å; Y218-I220 VanDerWaalsContact C-N 3.26Å; Y218-I220 PolarHBondContact O-N 3.16Å; Y218-T221 PolarHBondContact O-N 3.3Å; Y218-T221 PolarHBondContact O-OG1 3.21Å; Y218-R222 HydrophobicContact CD1-CG 4.47Å; Y218-R222 HydrophobicContact CE1-CG 4.17Å; Y218-R222 HydrophobicContact CE2-CG 4.38Å; Y218-R222 VanDerWaalsContact O-CG 3.27Å; Y218-R222 WeakPolarHBondContact O-CG 3.19Å; Y218-R222 PolarHBondContact O-N 3.01Å; Y218-R222 PolarHBondContact OH-NE 3.41Å; Y218-R222 VanDerWaalsContact OH-NE 3.14Å; Y218-R222 PolarHBondContact OH-NH2 3.28Å
219L95.6Very high91.8Very high0 Ų063.8 Ų63.80%032%0.315CS..Hα-helixtrans-59.6-37.3179-75.6168.2000112.3F13 L16 V17 L71 R74 L215 L216 Y225F13-L219 HydrophobicContact CD2-CD2 3.93Å; F13-L219 HydrophobicContact CE2-CD2 4Å; L16-L219 HydrophobicContact CB-CD2 3.79Å; L16-L219 HydrophobicContact CB-CG 4.46Å; L16-L219 HydrophobicContact CD1-CD2 4.25Å; V17-L219 HydrophobicContact CG2-CD1 4.39Å; V17-L219 HydrophobicContact CG2-CD2 4.35Å; L71-L219 HydrophobicContact CD1-CD1 4.26Å; L71-L219 HydrophobicContact CD2-CB 3.76Å; L71-L219 HydrophobicContact CD2-CD1 4.07Å; R74-L219 VanDerWaalsContact CD-O 3.28Å; R74-L219 WeakPolarHBondContact CD-O 3.37Å; R74-L219 VanDerWaalsContact CZ-O 3.22Å; R74-L219 PolarHBondContact NE-O 2.72Å; R74-L219 PolarHBondContact NH1-O 3.35Å; L215-L219 HydrophobicContact CD1-CD1 4.27Å; L215-L219 HydrophobicContact CD1-CG 4.37Å; L215-L219 HydrophobicContact CG-CD1 4.16Å; L215-L219 WeakPolarHBondContact O-CG 3.47Å; L215-L219 PolarHBondContact O-N 3.35Å; L216-L219 HydrophobicContact CD2-CD1 4.41Å; L216-L219 PolarHBondContact O-N 2.91Å; L219-Y225 HydrophobicContact CD2-CD2 4.13Å; L219-Y225 HydrophobicContact CD2-CE2 4.03Å
220I94.3Very high90.1Very high22 Ų2266.5 Ų66.511%0.11333%0.329CS..Hα-helixtrans-81.1-19.3-176.8-62.8-69.8000113.5I70 L71 R74 L166 L216 V217 Y218I70-I220 HydrophobicContact CB-CD1 4.21Å; I70-I220 HydrophobicContact CD1-CD1 4.35Å; I70-I220 HydrophobicContact CD1-CG1 4.01Å; I70-I220 HydrophobicContact CG1-CD1 4.08Å; I70-I220 HydrophobicContact CG1-CG1 4.28Å; I70-I220 WeakPolarHBondContact O-CD1 3.45Å; L71-I220 HydrophobicContact CD2-CD1 3.78Å; L71-I220 HydrophobicContact CD2-CG1 4.23Å; L71-I220 HydrophobicContact CG-CD1 4.33Å; R74-I220 VanDerWaalsContact NH2-C 3.26Å; R74-I220 PolarHBondContact NH2-O 3.01Å; L166-I220 HydrophobicContact CD1-CB 4.45Å; L166-I220 HydrophobicContact CD1-CG2 4.34Å; L166-I220 HydrophobicContact CD2-CG2 4.42Å; L216-I220 VanDerWaalsContact O-CB 3.27Å; L216-I220 WeakPolarHBondContact O-CB 3.33Å; L216-I220 WeakPolarHBondContact O-CG1 3.5Å; L216-I220 PolarHBondContact O-N 3.01Å; V217-I220 PolarHBondContact O-N 2.87Å; Y218-I220 VanDerWaalsContact C-N 3.26Å; Y218-I220 PolarHBondContact O-N 3.16Å
221T92.8Very high88Confident79 Ų7967.1 Ų67.149%0.48534%0.338SS..Hα-helixtrans-100.1-10.6-18052.90000113.4L166 V217 Y218 E223L166-T221 HydrophobicContact CD2-CG2 4.21Å; V217-T221 HydrophobicContact CG1-CG2 4.3Å; V217-T221 WeakPolarHBondContact O-CB 3.33Å; V217-T221 VanDerWaalsContact O-CG2 3.25Å; V217-T221 WeakPolarHBondContact O-CG2 3.07Å; V217-T221 PolarHBondContact O-N 2.88Å; V217-T221 PolarHBondContact O-OG1 3.39Å; Y218-T221 PolarHBondContact O-N 3.3Å; Y218-T221 PolarHBondContact O-OG1 3.21Å; T221-E223 PolarHBondContact O-N 3.01Å
222R91.4Very high85.8Confident104 Ų10468.2 Ų68.239%0.39235%0.345SS..  trans-76.1114.9175.4-72.3-67.7-173.2179.66.8111.5R74 Y218 E224 Y225R74-R222 PolarHBondContact NH1-O 3.17Å; R74-R222 PolarHBondContact NH2-O 2.98Å; Y218-R222 HydrophobicContact CD1-CG 4.47Å; Y218-R222 HydrophobicContact CE1-CG 4.17Å; Y218-R222 HydrophobicContact CE2-CG 4.38Å; Y218-R222 VanDerWaalsContact O-CG 3.27Å; Y218-R222 WeakPolarHBondContact O-CG 3.19Å; Y218-R222 PolarHBondContact O-N 3.01Å; Y218-R222 PolarHBondContact OH-NE 3.41Å; Y218-R222 VanDerWaalsContact OH-NE 3.14Å; Y218-R222 PolarHBondContact OH-NH2 3.28Å; R222-E224 VanDerWaalsContact C-N 3.29Å; R222-E224 PolarHBondContact O-N 2.87Å; R222-Y225 HydrophobicContact CB-CD2 3.52Å; R222-Y225 HydrophobicContact CB-CE2 3.81Å; R222-Y225 HydrophobicContact CB-CG 4.18Å; R222-Y225 HydrophobicContact CG-CD2 4.18Å; R222-Y225 HydrophobicContact CG-CE2 3.98Å; R222-Y225 PolarHBondContact O-N 2.55Å
223E86Confident83.6Confident125 Ų12572.3 Ų72.358%0.58436%0.364SS*.G310 helixtrans-63.9-32.6177.3-69.1-60.8147.800112.6T221 Y225 R226T221-E223 PolarHBondContact O-N 3.01Å; E223-Y225 PolarHBondContact O-N 2.64Å; E223-Y225 VanDerWaalsContact O-N 3.09Å; E223-R226 WeakPolarHBondContact O-CB 3.42Å; E223-R226 PolarHBondContact O-N 3.31Å; E223-R226 IonicContact OE1-NH1 3.68Å; E223-R226 WeakPolarHBondContact OE2-CD 3.32Å; E223-R226 IonicContact OE2-NH1 3.41Å; E223-R226 PolarHBondContact OE2-NH1 3.46Å
224E86.1Confident81.5Confident156 Ų15677.1 Ų77.173%0.72939%0.385SS*.G310 helixtrans-57.9-25.8177.1-66.6171.6-151.900113.5R222R222-E224 VanDerWaalsContact C-N 3.29Å; R222-E224 PolarHBondContact O-N 2.87Å
225Y85.7Confident79Confident26 Ų2675.8 Ų75.810%0.10238%0.38CS..G310 helixtrans-97.14.7179-50.4-32.3000112.7F13 R74 L219 R222 E223F13-Y225 HydrophobicContact CB-CD1 4.02Å; F13-Y225 HydrophobicContact CB-CE1 3.7Å; F13-Y225 AromaticContact CD2-CD1 3.63Å; F13-Y225 HydrophobicContact CD2-CD1 3.63Å; F13-Y225 AromaticContact CD2-CD2 3.56Å; F13-Y225 HydrophobicContact CD2-CD2 3.56Å; F13-Y225 AromaticContact CD2-CE1 3.95Å; F13-Y225 HydrophobicContact CD2-CE1 3.95Å; F13-Y225 AromaticContact CD2-CE2 3.88Å; F13-Y225 HydrophobicContact CD2-CE2 3.88Å; F13-Y225 AromaticContact CD2-CG 3.42Å; F13-Y225 HydrophobicContact CD2-CG 3.42Å; F13-Y225 VanDerWaalsContact CD2-CG 3.42Å; F13-Y225 HydrophobicContact CE2-CD1 4.38Å; F13-Y225 AromaticContact CE2-CD2 3.98Å; F13-Y225 HydrophobicContact CE2-CD2 3.98Å; F13-Y225 AromaticContact CE2-CG 3.82Å; F13-Y225 HydrophobicContact CE2-CG 3.82Å; F13-Y225 AromaticContact CG-CD1 3.99Å; F13-Y225 HydrophobicContact CG-CD1 3.99Å; F13-Y225 HydrophobicContact CG-CE1 4.16Å; F13-Y225 HydrophobicContact CG-CG 4.24Å; R74-Y225 WeakPolarHBondContact CG-O 3.28Å; R74-Y225 VanDerWaalsContact NH1-CB 3.31Å; R74-Y225 PolarHBondContact NH1-O 3.24Å; L219-Y225 HydrophobicContact CD2-CD2 4.13Å; L219-Y225 HydrophobicContact CD2-CE2 4.03Å; R222-Y225 HydrophobicContact CB-CD2 3.52Å; R222-Y225 HydrophobicContact CB-CE2 3.81Å; R222-Y225 HydrophobicContact CB-CG 4.18Å; R222-Y225 HydrophobicContact CG-CD2 4.18Å; R222-Y225 HydrophobicContact CG-CE2 3.98Å; R222-Y225 PolarHBondContact O-N 2.55Å; E223-Y225 PolarHBondContact O-N 2.64Å; E223-Y225 VanDerWaalsContact O-N 3.09Å
226R85.9Confident76.9Confident145 Ų14579.6 Ų79.655%0.54740%0.4SS..SBendtrans-75.5140.2-177.5-173.1175176.3172.1-1108.9R74 E223R74-R226 VanDerWaalsContact NH1-N 3.14Å; E223-R226 WeakPolarHBondContact O-CB 3.42Å; E223-R226 PolarHBondContact O-N 3.31Å; E223-R226 IonicContact OE1-NH1 3.68Å; E223-R226 WeakPolarHBondContact OE2-CD 3.32Å; E223-R226 IonicContact OE2-NH1 3.41Å; E223-R226 PolarHBondContact OE2-NH1 3.46Å
227R83.3Confident74.8Confident41 Ų4182.8 Ų82.816%0.15542%0.422CS..PPolyproline II helixtrans-56.9129.6172.6-176.7-177.3173.4129.59.6109.8C77 E79C77-R227 HydrophobicContact CB-CB 4.37Å; C77-R227 HydrophobicContact CB-CG 4.29Å; E79-R227 VanDerWaalsContact O-CZ 3.24Å; E79-R227 PolarHBondContact O-NH1 3.25Å; E79-R227 PolarHBondContact O-NH2 2.76Å
228P76.7Confident72.7Confident87 Ų8784.3 Ų84.357%0.56543%0.432SS*.PPolyproline II helixtrans-57.6143.4174.5-23.332.9000111.8
229P70.2Confident70.3Confident77 Ų7785.5 Ų85.550%0.544%0.44SS..PPolyproline II helixtrans-61.2146.9174.424.8-30.9000110.7E233P229-E233 HydrophobicContact CB-CB 4.48Å
230N62.5Low68.3Low57 Ų5791.6 Ų91.631%0.30547%0.467SS..PPolyproline II helixtrans-69.7151.6170-89.410.1000109.4E232 E233 E234N230-E232 PolarHBondContact O-N 3.09Å; N230-E232 VanDerWaalsContact O-N 3.07Å; N230-E233 PolarHBondContact O-N 3.35Å; N230-E234 PolarHBondContact O-N 3.12Å; N230-E234 VanDerWaalsContact O-N 3.11Å
231P53.9Low66.2Low100 Ų10095.9 Ų95.965%0.64948%0.484SS*.Hα-helixtrans-54.4-30.8178.5-26.133.5000114.4E234 S235P231-E234 PolarHBondContact O-N 3.17Å; P231-S235 PolarHBondContact O-N 3.23Å; P231-S235 PolarHBondContact O-OG 3.15Å
232E52.8Low64.5Low150 Ų15096.3 Ų96.370%0.70148%0.484SS*.Hα-helixtrans-70.2-29.3174.8-66.9179.4170.700113.7N230 S235 L236N230-E232 PolarHBondContact O-N 3.09Å; N230-E232 VanDerWaalsContact O-N 3.07Å; E232-S235 PolarHBondContact O-OG 3.27Å; E232-L236 WeakPolarHBondContact O-CD1 3.4Å; E232-L236 WeakPolarHBondContact O-CG 3.23Å; E232-L236 PolarHBondContact O-N 3.4Å
233E52.3Low62.7Low86 Ų8696.9 Ų96.940%0.40249%0.494SS..Hα-helixtrans-81.5-28.5175.3-67.9178156.100110.8K81 P229 N230 S237K81-E233 IonicContact NZ-OE1 2.79Å; K81-E233 PolarHBondContact NZ-OE1 3.17Å; K81-E233 IonicContact NZ-OE2 3.14Å; K81-E233 PolarHBondContact NZ-OE2 2.99Å; P229-E233 HydrophobicContact CB-CB 4.48Å; N230-E233 PolarHBondContact O-N 3.35Å; E233-S237 WeakPolarHBondContact O-CB 3.29Å; E233-S237 PolarHBondContact O-N 3.36Å; E233-S237 PolarHBondContact O-OG 3.12Å
234E53.7Low61.1Low107 Ų10795.5 Ų95.550%0.549%0.494SS..Hα-helixtrans-68.6-44172.6-148.7168.1-155.100111.2N230 P231 L236 S237 V238N230-E234 PolarHBondContact O-N 3.12Å; N230-E234 VanDerWaalsContact O-N 3.11Å; P231-E234 PolarHBondContact O-N 3.17Å; E234-L236 PolarHBondContact O-N 3.38Å; E234-S237 WeakPolarHBondContact CA-OG 3.31Å; E234-S237 PolarHBondContact O-N 3.4Å; E234-S237 PolarHBondContact O-OG 2.75Å; E234-V238 WeakPolarHBondContact O-CB 3.47Å; E234-V238 VanDerWaalsContact O-CG2 3.24Å; E234-V238 WeakPolarHBondContact O-CG2 3.17Å; E234-V238 PolarHBondContact O-N 3.19Å
235S46.8Very low59.6Low70 Ų7094.6 Ų94.649%0.4949%0.49SS..Hα-helixtrans-65.4-36.5175.766.60000113P231 E232 H239P231-S235 PolarHBondContact O-N 3.23Å; P231-S235 PolarHBondContact O-OG 3.15Å; E232-S235 PolarHBondContact O-OG 3.27Å; S235-H239 VanDerWaalsContact O-CB 3.28Å; S235-H239 WeakPolarHBondContact O-CB 3.08Å; S235-H239 PolarHBondContact O-N 2.88Å
236L52.2Low57.9Low105 Ų10596 Ų9655%0.5551%0.512SS..Hα-helixtrans-68.8-39.3174.4-77.1167.8000112.8E232 E234 H239 F240E232-L236 WeakPolarHBondContact O-CD1 3.4Å; E232-L236 WeakPolarHBondContact O-CG 3.23Å; E232-L236 PolarHBondContact O-N 3.4Å; E234-L236 PolarHBondContact O-N 3.38Å; L236-H239 PolarHBondContact O-N 3.36Å; L236-F240 WeakPolarHBondContact O-CB 3.5Å; L236-F240 PolarHBondContact O-N 3.03Å
237S54.6Low56Low67 Ų6791.4 Ų91.447%0.46951%0.51SS..Hα-helixtrans-71.4-37.617846.90000112.3E233 E234 F240 K241E233-S237 WeakPolarHBondContact O-CB 3.29Å; E233-S237 PolarHBondContact O-N 3.36Å; E233-S237 PolarHBondContact O-OG 3.12Å; E234-S237 WeakPolarHBondContact CA-OG 3.31Å; E234-S237 PolarHBondContact O-N 3.4Å; E234-S237 PolarHBondContact O-OG 2.75Å; S237-F240 PolarHBondContact O-N 2.89Å; S237-K241 VanDerWaalsContact O-CB 3.28Å; S237-K241 WeakPolarHBondContact O-CB 3.37Å; S237-K241 PolarHBondContact O-N 2.78Å
238V53.8Low54.3Low80 Ų8095.8 Ų95.849%0.48554%0.541SS..Hα-helixtrans-63.1-43.8170173.90000111E234 K241 N242E234-V238 WeakPolarHBondContact O-CB 3.47Å; E234-V238 VanDerWaalsContact O-CG2 3.24Å; E234-V238 WeakPolarHBondContact O-CG2 3.17Å; E234-V238 PolarHBondContact O-N 3.19Å; V238-K241 PolarHBondContact O-N 3.5Å; V238-N242 WeakPolarHBondContact O-CB 3.4Å; V238-N242 PolarHBondContact O-N 3.4Å; V238-N242 PolarHBondContact O-ND2 3.4Å
239H45.7Very low52.8Low112 Ų11296.4 Ų96.452%0.51955%0.545SS..Hα-helixtrans-63-43.5177.5-172.272000112.3S235 L236 N242 L243S235-H239 VanDerWaalsContact O-CB 3.28Å; S235-H239 WeakPolarHBondContact O-CB 3.08Å; S235-H239 PolarHBondContact O-N 2.88Å; L236-H239 PolarHBondContact O-N 3.36Å; H239-N242 PolarHBondContact O-N 2.85Å; H239-L243 WeakPolarHBondContact O-CG 3.48Å; H239-L243 PolarHBondContact O-N 2.57Å; H239-L243 VanDerWaalsContact O-N 3.13Å
240F52.9Low51.9Low127 Ų12798.5 Ų98.556%0.55756%0.562SS**Hα-helixtrans-66.5-41.2177.9-144.6-86.6000111.7L236 S237 N242 L243 T244L236-F240 WeakPolarHBondContact O-CB 3.5Å; L236-F240 PolarHBondContact O-N 3.03Å; S237-F240 PolarHBondContact O-N 2.89Å; F240-N242 VanDerWaalsContact C-N 3.34Å; F240-N242 PolarHBondContact O-N 3.48Å; F240-L243 PolarHBondContact O-N 2.93Å; F240-L243 VanDerWaalsContact O-N 3.15Å; F240-T244 HydrophobicContact CD1-CG2 3.85Å; F240-T244 HydrophobicContact CE1-CG2 3.88Å; F240-T244 PolarHBondContact O-N 3.4Å; F240-T244 PolarHBondContact O-OG1 2.67Å
241K51.2Low50.9Low112 Ų112101.5 Ų101.549%0.48758%0.582SS.*Hα-helixtrans-59.4-43.8175.1-170.5174.2179.2179.90111.7S237 V238 L243 T244 E245S237-K241 VanDerWaalsContact O-CB 3.28Å; S237-K241 WeakPolarHBondContact O-CB 3.37Å; S237-K241 PolarHBondContact O-N 2.78Å; V238-K241 PolarHBondContact O-N 3.5Å; K241-L243 VanDerWaalsContact C-N 3.29Å; K241-L243 PolarHBondContact O-N 3.37Å; K241-T244 WeakPolarHBondContact CA-OG1 3.44Å; K241-T244 PolarHBondContact O-N 2.99Å; K241-T244 PolarHBondContact O-OG1 3.4Å; K241-E245 VanDerWaalsContact CE-CD 3.41Å; K241-E245 VanDerWaalsContact CE-OE1 3.26Å; K241-E245 WeakPolarHBondContact CE-OE1 3.13Å; K241-E245 WeakPolarHBondContact CE-OE2 3.28Å; K241-E245 HydrophobicContact CG-CG 4.24Å; K241-E245 WeakPolarHBondContact CG-OE2 3.47Å; K241-E245 VanDerWaalsContact O-CB 3.32Å; K241-E245 WeakPolarHBondContact O-CB 3.34Å; K241-E245 PolarHBondContact O-N 2.86Å
242N55.9Low50.6Low89 Ų89106.2 Ų106.248%0.47661%0.613SS.*Hα-helixtrans-63.7-32.6176.2-69.3-15.4000113.2V238 H239 F240 G246 G247V238-N242 WeakPolarHBondContact O-CB 3.4Å; V238-N242 PolarHBondContact O-N 3.4Å; V238-N242 PolarHBondContact O-ND2 3.4Å; H239-N242 PolarHBondContact O-N 2.85Å; F240-N242 VanDerWaalsContact C-N 3.34Å; F240-N242 PolarHBondContact O-N 3.48Å; N242-G246 PolarHBondContact O-N 3.25Å; N242-G247 PolarHBondContact O-N 2.91Å
243L54.8Low50.5Low116 Ų116104.1 Ų104.161%0.60761%0.609SS**Hα-helixtrans-75.9-35.4176.2-70.9168.7000112.6H239 F240 K241H239-L243 WeakPolarHBondContact O-CG 3.48Å; H239-L243 PolarHBondContact O-N 2.57Å; H239-L243 VanDerWaalsContact O-N 3.13Å; F240-L243 PolarHBondContact O-N 2.93Å; F240-L243 VanDerWaalsContact O-N 3.15Å; K241-L243 VanDerWaalsContact C-N 3.29Å; K241-L243 PolarHBondContact O-N 3.37Å
244T51.6Low50.4Low96 Ų96105 Ų10559%0.58962%0.62SS**Hα-helixtrans-85.4-30.5-178.950.20000113.7F240 K241F240-T244 HydrophobicContact CD1-CG2 3.85Å; F240-T244 HydrophobicContact CE1-CG2 3.88Å; F240-T244 PolarHBondContact O-N 3.4Å; F240-T244 PolarHBondContact O-OG1 2.67Å; K241-T244 WeakPolarHBondContact CA-OG1 3.44Å; K241-T244 PolarHBondContact O-N 2.99Å; K241-T244 PolarHBondContact O-OG1 3.4Å
245E55.9Low50.3Low136 Ų136104.9 Ų104.964%0.63663%0.626SS**THydrogen-bonded Turntrans-96.50.5-178.7-65.9-178170.600113.1K241K241-E245 VanDerWaalsContact CE-CD 3.41Å; K241-E245 VanDerWaalsContact CE-OE1 3.26Å; K241-E245 WeakPolarHBondContact CE-OE1 3.13Å; K241-E245 WeakPolarHBondContact CE-OE2 3.28Å; K241-E245 HydrophobicContact CG-CG 4.24Å; K241-E245 WeakPolarHBondContact CG-OE2 3.47Å; K241-E245 VanDerWaalsContact O-CB 3.32Å; K241-E245 WeakPolarHBondContact O-CB 3.34Å; K241-E245 PolarHBondContact O-N 2.86Å
246G49.5Very low50.5Low55 Ų55106.9 Ų106.957%0.56763%0.634SS**THydrogen-bonded Turntrans6268.8-179.800000111.5N242 V248N242-G246 PolarHBondContact O-N 3.25Å; G246-V248 PolarHBondContact O-N 3.49Å
247G44.9Very low50.3Low49 Ų49107.1 Ų107.151%0.50564%0.639SS.*  trans-55.8111.1-179.300000112.5N242N242-G247 PolarHBondContact O-N 2.91Å
248V48.6Very low50.1Low134 Ų134109.7 Ų109.781%0.81265%0.651SS**  trans-65.2122.8161.5177.20000106.8G246 S250G246-V248 PolarHBondContact O-N 3.49Å; V248-S250 PolarHBondContact O-N 3.4Å; V248-S250 VanDerWaalsContact O-N 3.15Å
249P45.5Very low49.8Very low99 Ų99111.9 Ų111.964%0.64366%0.663SS**  trans-68.1117.2176.526.1-28.8000108.3T251P249-T251 VanDerWaalsContact C-N 3.31Å; P249-T251 PolarHBondContact O-N 2.97Å
250S50.4Low50.1Low121 Ų121111.8 Ų111.885%0.84667%0.674SS**  trans-67.596.5160.452.40000107.3V248V248-S250 PolarHBondContact O-N 3.4Å; V248-S250 VanDerWaalsContact O-N 3.15Å
251T41.2Very low49.9Very low121 Ų121110.6 Ų110.674%0.74268%0.684SS**  trans-68.2159.1168.423.70000111P249P249-T251 VanDerWaalsContact C-N 3.31Å; P249-T251 PolarHBondContact O-N 2.97Å
252P49.1Very low49.8Very low199 Ų199110.5 Ų110.5100%1.29270%0.701SS**  trans-74.90-14030.6-36.3000115.8

Retrieved 252 of 252 residues in 48.9 ms (Link to these results)

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