A0A5K4F1S9_SCHMA Loading...

LisH domain-containing protein ARMC9

AlphaFold DB , UniProt , Accession A0A5K4F1S9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 910 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
1M31.5Very low53.9Low211 Ų211110.5 Ų110.5100%1.03959%0.592SS**  0120.80-56.9-48-168.600107.3D3M1-D3 VanDerWaalsContact CB-OD1 3.26Å; M1-D3 WeakPolarHBondContact CB-OD1 3.44Å
2L27Very low56.3Low187 Ų187104.3 Ų104.398%0.97956%0.562SS**  trans-96.490.8163-85.5163.7000104.1S4L2-S4 PolarHBondContact O-N 3.46Å
3D33.1Very low58.4Low139 Ų139102 Ų10274%0.74354%0.543SS*.PPolyproline II helixtrans-65131-170.3-64-43.1000109.9M1 Q5M1-D3 VanDerWaalsContact CB-OD1 3.26Å; M1-D3 WeakPolarHBondContact CB-OD1 3.44Å; D3-Q5 PolarHBondContact O-N 2.95Å
4S40.4Very low60.2Low109 Ų109104 Ų10476%0.76255%0.548SS*.PPolyproline II helixtrans-52.1132.5173.550.20000109.4L2L2-S4 PolarHBondContact O-N 3.46Å
5Q47.1Very low61.9Low185 Ų185104.7 Ų104.786%0.86455%0.545SS*.PPolyproline II helixtrans-47126.8178.8-74.7-171.9-2400110D3 N7D3-Q5 PolarHBondContact O-N 2.95Å; Q5-N7 PolarHBondContact O-N 3.5Å
6P51.1Low63.6Low90 Ų9099.5 Ų99.558%0.58452%0.518SS*.PPolyproline II helixtrans-58.6126.6-173.522.1-32.8000109.4I8 L11P6-I8 PolarHBondContact O-N 3.29Å; P6-L11 HydrophobicContact CB-CD1 4.42Å; P6-L11 HydrophobicContact CB-CD2 4.23Å; P6-L11 HydrophobicContact CB-CG 4.13Å; P6-L11 HydrophobicContact CG-CD1 4.18Å; P6-L11 HydrophobicContact CG-CD2 4.18Å; P6-L11 HydrophobicContact CG-CG 4.3Å
7N65.6Low65.1Low60 Ų6099.3 Ų99.332%0.32151%0.514SS..PPolyproline II helixtrans-57.8135.8-177.6175.46.5000109.1Q5 I9 D10 L11Q5-N7 PolarHBondContact O-N 3.5Å; N7-I9 PolarHBondContact O-N 2.72Å; N7-I9 PolarHBondContact OD1-N 2.85Å; N7-D10 WeakPolarHBondContact CB-OD2 3.39Å; N7-D10 PolarHBondContact O-N 2.93Å; N7-L11 PolarHBondContact O-N 3.03Å; N7-L11 VanDerWaalsContact O-N 3.11Å
8I67.6Low66.3Low74 Ų74103.6 Ų103.638%0.37952%0.524SS..Hα-helixtrans-61.5-23.1-175.2-149.1165.8000112.2P6 V12P6-I8 PolarHBondContact O-N 3.29Å; I8-V12 VanDerWaalsContact O-CG2 3.28Å; I8-V12 WeakPolarHBondContact O-CG2 3.39Å; I8-V12 PolarHBondContact O-N 3.41Å; I8-V12 VanDerWaalsContact O-N 3.1Å
9I73Confident67.6Low14 Ų14105.4 Ų105.47%0.07253%0.525CS..Hα-helixtrans-67.4-45.6171.6-55.9175.8000110.9N7 V12 K13 F28 F35 H36 W43N7-I9 PolarHBondContact O-N 2.72Å; N7-I9 PolarHBondContact OD1-N 2.85Å; I9-V12 PolarHBondContact O-N 3.17Å; I9-K13 WeakPolarHBondContact O-CB 2.78Å; I9-K13 PolarHBondContact O-N 3.03Å; I9-F28 HydrophobicContact CB-CZ 4.49Å; I9-F28 HydrophobicContact CG2-CE1 3.8Å; I9-F28 HydrophobicContact CG2-CZ 3.86Å; I9-F28 WeakPolarHBondContact O-CE1 3.44Å; I9-F35 HydrophobicContact CD1-CB 3.89Å; I9-H36 VanDerWaalsContact CG2-CE1 3.49Å; I9-H36 WeakPolarHBondContact CG2-CE1 3.45Å; I9-W43 HydrophobicContact CD1-CZ2 4.16Å
10D77.2Confident68.7Low68 Ų68107.5 Ų107.536%0.36453%0.533SS..Hα-helixtrans-68.2-37.2-179.3-61.6-45.8000111.1N7 K13 E14 H36N7-D10 WeakPolarHBondContact CB-OD2 3.39Å; N7-D10 PolarHBondContact O-N 2.93Å; D10-K13 WeakPolarHBondContact O-CB 3.46Å; D10-K13 PolarHBondContact O-N 3.49Å; D10-E14 WeakPolarHBondContact O-CB 3.45Å; D10-E14 PolarHBondContact O-N 2.89Å; D10-H36 IonicContact OD1-CE1 2.7Å; D10-H36 PolarHBondContact OD1-CE1 2.98Å; D10-H36 VanDerWaalsContact OD1-CE1 3.25Å; D10-H36 IonicContact OD1-NE2 3.22Å; D10-H36 PolarHBondContact OD1-NE2 2.94Å; D10-H36 IonicContact OD2-NE2 3.47Å
11L79.5Confident69.6Low78 Ų78106 Ų10641%0.40853%0.526SS..Hα-helixtrans-62.8-42.1172-72.1171.6000113.1P6 N7 K13 E14 F15P6-L11 HydrophobicContact CB-CD1 4.42Å; P6-L11 HydrophobicContact CB-CD2 4.23Å; P6-L11 HydrophobicContact CB-CG 4.13Å; P6-L11 HydrophobicContact CG-CD1 4.18Å; P6-L11 HydrophobicContact CG-CD2 4.18Å; P6-L11 HydrophobicContact CG-CG 4.3Å; N7-L11 PolarHBondContact O-N 3.03Å; N7-L11 VanDerWaalsContact O-N 3.11Å; L11-K13 VanDerWaalsContact C-N 3.35Å; L11-E14 PolarHBondContact O-N 3.23Å; L11-F15 PolarHBondContact O-N 2.85Å; L11-F15 VanDerWaalsContact O-N 3.08Å
12V82.1Confident72.2Confident37 Ų37101.8 Ų101.822%0.22450%0.504CS..Hα-helixtrans-68.9-36.4176.4170.40000110.8I8 I9 F15 L16 F28 L185I8-V12 VanDerWaalsContact O-CG2 3.28Å; I8-V12 WeakPolarHBondContact O-CG2 3.39Å; I8-V12 PolarHBondContact O-N 3.41Å; I8-V12 VanDerWaalsContact O-N 3.1Å; I9-V12 PolarHBondContact O-N 3.17Å; V12-F15 PolarHBondContact O-N 3.44Å; V12-L16 HydrophobicContact CG1-CD1 4Å; V12-L16 HydrophobicContact CG1-CG 4.43Å; V12-L16 VanDerWaalsContact O-CG 3.26Å; V12-L16 WeakPolarHBondContact O-CG 3.46Å; V12-L16 PolarHBondContact O-N 2.84Å; V12-F28 HydrophobicContact CB-CE1 3.92Å; V12-F28 HydrophobicContact CB-CE2 4.43Å; V12-F28 HydrophobicContact CB-CZ 3.7Å; V12-F28 HydrophobicContact CG1-CD1 4.13Å; V12-F28 HydrophobicContact CG1-CD2 4.22Å; V12-F28 HydrophobicContact CG1-CE1 3.65Å; V12-F28 HydrophobicContact CG1-CE2 3.75Å; V12-F28 HydrophobicContact CG1-CG 4.39Å; V12-F28 HydrophobicContact CG1-CZ 3.44Å; V12-F28 VanDerWaalsContact CG1-CZ 3.44Å; V12-L185 HydrophobicContact CG2-CD2 4.13Å
13K83.6Confident75Confident74 Ų74101.3 Ų101.332%0.32250%0.497SS..Hα-helixtrans-62-49172.8-177.9-171.7164.2-173.40111.5I9 D10 L11 F15 L16 E17 F28 I29I9-K13 WeakPolarHBondContact O-CB 2.78Å; I9-K13 PolarHBondContact O-N 3.03Å; D10-K13 WeakPolarHBondContact O-CB 3.46Å; D10-K13 PolarHBondContact O-N 3.49Å; L11-K13 VanDerWaalsContact C-N 3.35Å; K13-F15 VanDerWaalsContact C-N 3.31Å; K13-F15 PolarHBondContact O-N 3.28Å; K13-L16 PolarHBondContact O-N 3.37Å; K13-L16 VanDerWaalsContact O-N 3.12Å; K13-E17 WeakPolarHBondContact CE-OE1 3.43Å; K13-E17 HydrophobicContact CG-CG 4.45Å; K13-E17 IonicContact NZ-OE1 2.56Å; K13-E17 WeakPolarHBondContact O-CG 3.46Å; K13-E17 PolarHBondContact O-N 3.31Å; K13-F28 HydrophobicContact CB-CE1 4.4Å; K13-I29 HydrophobicContact CD-CD1 4.07Å; K13-I29 HydrophobicContact CD-CG1 4.15Å; K13-I29 HydrophobicContact CG-CD1 4.21Å; K13-I29 HydrophobicContact CG-CG1 4.27Å
14E84.6Confident77.7Confident130 Ų13097.7 Ų97.761%0.60748%0.483SS*.Hα-helixtrans-56-45.5177.3-175.7-178.3-176.600111.4D10 L11 L16 E17 Y18D10-E14 WeakPolarHBondContact O-CB 3.45Å; D10-E14 PolarHBondContact O-N 2.89Å; L11-E14 PolarHBondContact O-N 3.23Å; E14-L16 PolarHBondContact O-N 2.95Å; E14-E17 PolarHBondContact O-N 3.39Å; E14-Y18 WeakPolarHBondContact O-CB 3.4Å; E14-Y18 PolarHBondContact O-N 3.48Å
15F84.8Confident79.9Confident114 Ų11492.8 Ų92.850%0.545%0.448SS..Hα-helixtrans-58.5-45.8174.5176.8-87.7000112.6L11 V12 K13 Y18 Y19L11-F15 PolarHBondContact O-N 2.85Å; L11-F15 VanDerWaalsContact O-N 3.08Å; V12-F15 PolarHBondContact O-N 3.44Å; K13-F15 VanDerWaalsContact C-N 3.31Å; K13-F15 PolarHBondContact O-N 3.28Å; F15-Y18 PolarHBondContact O-N 3.31Å; F15-Y19 HydrophobicContact CD1-CD2 4.38Å; F15-Y19 AromaticContact CD2-CD2 3.91Å; F15-Y19 HydrophobicContact CD2-CD2 3.91Å; F15-Y19 AromaticContact CD2-CE2 3.81Å; F15-Y19 HydrophobicContact CD2-CE2 3.81Å; F15-Y19 HydrophobicContact CE1-CD2 4.12Å; F15-Y19 AromaticContact CE2-CD2 3.64Å; F15-Y19 HydrophobicContact CE2-CD2 3.64Å; F15-Y19 AromaticContact CE2-CE2 3.38Å; F15-Y19 HydrophobicContact CE2-CE2 3.38Å; F15-Y19 HydrophobicContact CG-CD2 4.27Å; F15-Y19 AromaticContact CZ-CD2 3.74Å; F15-Y19 HydrophobicContact CZ-CD2 3.74Å; F15-Y19 AromaticContact CZ-CE2 3.85Å; F15-Y19 HydrophobicContact CZ-CE2 3.85Å; F15-Y19 WeakPolarHBondContact O-CD2 3.46Å; F15-Y19 PolarHBondContact O-N 3.16Å; F15-Y19 VanDerWaalsContact O-N 3.14Å
16L89.5Confident81.7Confident22 Ų2292.8 Ų92.812%0.11544%0.44CS..Hα-helixtrans-69.8-31.6-179.8-68.1171.8000112.8V12 K13 E14 L21 C25 F28V12-L16 HydrophobicContact CG1-CD1 4Å; V12-L16 HydrophobicContact CG1-CG 4.43Å; V12-L16 VanDerWaalsContact O-CG 3.26Å; V12-L16 WeakPolarHBondContact O-CG 3.46Å; V12-L16 PolarHBondContact O-N 2.84Å; K13-L16 PolarHBondContact O-N 3.37Å; K13-L16 VanDerWaalsContact O-N 3.12Å; E14-L16 PolarHBondContact O-N 2.95Å; L16-L21 HydrophobicContact CD2-CB 4.06Å; L16-L21 HydrophobicContact CD2-CD1 3.76Å; L16-L21 PolarHBondContact O-N 2.96Å; L16-C25 HydrophobicContact CB-CB 3.76Å; L16-F28 HydrophobicContact CD1-CB 3.77Å; L16-F28 HydrophobicContact CD1-CD1 3.94Å; L16-F28 HydrophobicContact CD1-CG 3.85Å
17E88.3Confident83.3Confident96 Ų9690.5 Ų90.545%0.44943%0.428SS..Hα-helixtrans-72.1-44.7172.7-70.3-176.6168.700111.6K13 E14 Y19 Q20 C25K13-E17 WeakPolarHBondContact CE-OE1 3.43Å; K13-E17 HydrophobicContact CG-CG 4.45Å; K13-E17 IonicContact NZ-OE1 2.56Å; K13-E17 WeakPolarHBondContact O-CG 3.46Å; K13-E17 PolarHBondContact O-N 3.31Å; E14-E17 PolarHBondContact O-N 3.39Å; E17-Y19 PolarHBondContact O-N 3.22Å; E17-Q20 PolarHBondContact O-N 2.92Å; E17-C25 VanDerWaalsContact CG-SG 3.6Å
18Y88Confident84.2Confident176 Ų17690.3 Ų90.369%0.6943%0.425SS*.Hα-helixtrans-58.9-44.4178.8-179.3-90.9000112.7E14 F15 Q20E14-Y18 WeakPolarHBondContact O-CB 3.4Å; E14-Y18 PolarHBondContact O-N 3.48Å; F15-Y18 PolarHBondContact O-N 3.31Å; Y18-Q20 PolarHBondContact O-N 3.02Å
19Y90.5Very high84.9Confident138 Ų13889.3 Ų89.354%0.54142%0.42SS..THydrogen-bonded Turntrans-82.611.3176.8-75.1-74000114.2F15 E17 L21F15-Y19 HydrophobicContact CD1-CD2 4.38Å; F15-Y19 AromaticContact CD2-CD2 3.91Å; F15-Y19 HydrophobicContact CD2-CD2 3.91Å; F15-Y19 AromaticContact CD2-CE2 3.81Å; F15-Y19 HydrophobicContact CD2-CE2 3.81Å; F15-Y19 HydrophobicContact CE1-CD2 4.12Å; F15-Y19 AromaticContact CE2-CD2 3.64Å; F15-Y19 HydrophobicContact CE2-CD2 3.64Å; F15-Y19 AromaticContact CE2-CE2 3.38Å; F15-Y19 HydrophobicContact CE2-CE2 3.38Å; F15-Y19 HydrophobicContact CG-CD2 4.27Å; F15-Y19 AromaticContact CZ-CD2 3.74Å; F15-Y19 HydrophobicContact CZ-CD2 3.74Å; F15-Y19 AromaticContact CZ-CE2 3.85Å; F15-Y19 HydrophobicContact CZ-CE2 3.85Å; F15-Y19 WeakPolarHBondContact O-CD2 3.46Å; F15-Y19 PolarHBondContact O-N 3.16Å; F15-Y19 VanDerWaalsContact O-N 3.14Å; E17-Y19 PolarHBondContact O-N 3.22Å; Y19-L21 PolarHBondContact O-N 3.48Å; Y19-L21 VanDerWaalsContact O-N 3.11Å
20Q88.6Confident85.3Confident147 Ų14795.3 Ų95.369%0.68745%0.447SS*.THydrogen-bonded Turntrans55.926.9177.6-57.7-179.51400114E17 Y18 H22E17-Q20 PolarHBondContact O-N 2.92Å; Y18-Q20 PolarHBondContact O-N 3.02Å; Q20-H22 PolarHBondContact O-CD2 3.47Å; Q20-H22 VanDerWaalsContact O-CD2 3.25Å; Q20-H22 PolarHBondContact O-N 2.97Å
21L87.8Confident85.3Confident77 Ų7798.9 Ų98.940%0.40346%0.462SS..  trans-79.149.6179.5-65.4171.9000110.5L16 Y19 Q23 S24 C25L16-L21 HydrophobicContact CD2-CB 4.06Å; L16-L21 HydrophobicContact CD2-CD1 3.76Å; L16-L21 PolarHBondContact O-N 2.96Å; Y19-L21 PolarHBondContact O-N 3.48Å; Y19-L21 VanDerWaalsContact O-N 3.11Å; L21-Q23 VanDerWaalsContact C-N 3.27Å; L21-Q23 PolarHBondContact O-N 3.43Å; L21-Q23 VanDerWaalsContact O-N 3.1Å; L21-S24 CarbonylContact O-C 3.58Å; L21-S24 WeakPolarHBondContact O-CB 3.31Å; L21-S24 PolarHBondContact O-N 3.28Å; L21-C25 WeakPolarHBondContact O-CB 3.32Å; L21-C25 PolarHBondContact O-N 3.15Å
22H86.2Confident85Confident122 Ų12295.7 Ų95.757%0.56545%0.446SS*.Hα-helixtrans-56.5-34.8-164-60.6-57.5000114.4Q20 R26Q20-H22 PolarHBondContact O-CD2 3.47Å; Q20-H22 VanDerWaalsContact O-CD2 3.25Å; Q20-H22 PolarHBondContact O-N 2.97Å; H22-R26 WeakPolarHBondContact O-CB 3.46Å; H22-R26 PolarHBondContact O-N 3.18Å
23Q87.2Confident84.4Confident177 Ų177100.3 Ų100.383%0.82747%0.465SS*.Hα-helixtrans-73.4-43178.6-163.2165.68.500111.5L21 C25 R26 A27L21-Q23 VanDerWaalsContact C-N 3.27Å; L21-Q23 PolarHBondContact O-N 3.43Å; L21-Q23 VanDerWaalsContact O-N 3.1Å; Q23-C25 VanDerWaalsContact C-N 3.34Å; Q23-R26 PolarHBondContact O-N 3.34Å; Q23-A27 PolarHBondContact O-N 3.24Å
24S88.1Confident83.5Confident64 Ų64102 Ų10245%0.44848%0.477SS..Hα-helixtrans-64.6-38.4171.5-470000111.8L21 F28L21-S24 CarbonylContact O-C 3.58Å; L21-S24 WeakPolarHBondContact O-CB 3.31Å; L21-S24 PolarHBondContact O-N 3.28Å; S24-F28 WeakPolarHBondContact O-CB 3.27Å; S24-F28 PolarHBondContact O-N 3.03Å
25C87.4Confident82.1Confident5 Ų599.2 Ų99.23%0.03446%0.462CS..Hα-helixtrans-65.1-45.5176.1-1660000111.4L16 E17 L21 Q23 F28 I29L16-C25 HydrophobicContact CB-CB 3.76Å; E17-C25 VanDerWaalsContact CG-SG 3.6Å; L21-C25 WeakPolarHBondContact O-CB 3.32Å; L21-C25 PolarHBondContact O-N 3.15Å; Q23-C25 VanDerWaalsContact C-N 3.34Å; C25-F28 PolarHBondContact O-N 3.38Å; C25-I29 WeakPolarHBondContact O-CB 3.28Å; C25-I29 WeakPolarHBondContact O-CD1 3.48Å; C25-I29 WeakPolarHBondContact O-CG1 3.41Å; C25-I29 PolarHBondContact O-N 3.24Å
26R83.9Confident80.7Confident186 Ų18697.6 Ų97.670%0.70246%0.456SS*.Hα-helixtrans-62-46.4176.7-175.3178.4-87.9163.9-7.2111.7H22 Q23 I29 E30H22-R26 WeakPolarHBondContact O-CB 3.46Å; H22-R26 PolarHBondContact O-N 3.18Å; Q23-R26 PolarHBondContact O-N 3.34Å; R26-I29 PolarHBondContact O-N 3.43Å; R26-E30 PolarHBondContact O-N 2.87Å
27A85Confident79.1Confident41 Ų41100.7 Ų100.734%0.33949%0.494SS..Hα-helixtrans-63.5-43.817600000112.2Q23 I29 E30 E31Q23-A27 PolarHBondContact O-N 3.24Å; A27-I29 VanDerWaalsContact C-N 3.33Å; A27-I29 PolarHBondContact O-N 2.93Å; A27-E30 PolarHBondContact O-N 2.69Å; A27-E31 PolarHBondContact O-N 2.65Å
28F86Confident77Confident56 Ų5698.3 Ų98.325%0.24648%0.483CS..Hα-helixtrans-61.5-39.7174.8177.9-101.8000111.8I9 V12 K13 L16 S24 C25 S32I9-F28 HydrophobicContact CB-CZ 4.49Å; I9-F28 HydrophobicContact CG2-CE1 3.8Å; I9-F28 HydrophobicContact CG2-CZ 3.86Å; I9-F28 WeakPolarHBondContact O-CE1 3.44Å; V12-F28 HydrophobicContact CB-CE1 3.92Å; V12-F28 HydrophobicContact CB-CE2 4.43Å; V12-F28 HydrophobicContact CB-CZ 3.7Å; V12-F28 HydrophobicContact CG1-CD1 4.13Å; V12-F28 HydrophobicContact CG1-CD2 4.22Å; V12-F28 HydrophobicContact CG1-CE1 3.65Å; V12-F28 HydrophobicContact CG1-CE2 3.75Å; V12-F28 HydrophobicContact CG1-CG 4.39Å; V12-F28 HydrophobicContact CG1-CZ 3.44Å; V12-F28 VanDerWaalsContact CG1-CZ 3.44Å; K13-F28 HydrophobicContact CB-CE1 4.4Å; L16-F28 HydrophobicContact CD1-CB 3.77Å; L16-F28 HydrophobicContact CD1-CD1 3.94Å; L16-F28 HydrophobicContact CD1-CG 3.85Å; S24-F28 WeakPolarHBondContact O-CB 3.27Å; S24-F28 PolarHBondContact O-N 3.03Å; C25-F28 PolarHBondContact O-N 3.38Å; F28-S32 WeakPolarHBondContact O-CA 3.25Å; F28-S32 WeakPolarHBondContact O-CB 3.4Å; F28-S32 PolarHBondContact O-N 2.65Å; F28-S32 PolarHBondContact O-OG 2.63Å
29I81.9Confident75.1Confident54 Ų5495.2 Ų95.228%0.27748%0.478SS..Hα-helixtrans-63.4-47.3173.7-70.7163000110K13 C25 R26 A27 S32 H33K13-I29 HydrophobicContact CD-CD1 4.07Å; K13-I29 HydrophobicContact CD-CG1 4.15Å; K13-I29 HydrophobicContact CG-CD1 4.21Å; K13-I29 HydrophobicContact CG-CG1 4.27Å; C25-I29 WeakPolarHBondContact O-CB 3.28Å; C25-I29 WeakPolarHBondContact O-CD1 3.48Å; C25-I29 WeakPolarHBondContact O-CG1 3.41Å; C25-I29 PolarHBondContact O-N 3.24Å; R26-I29 PolarHBondContact O-N 3.43Å; A27-I29 VanDerWaalsContact C-N 3.33Å; A27-I29 PolarHBondContact O-N 2.93Å; I29-S32 PolarHBondContact O-N 2.81Å; I29-S32 PolarHBondContact O-OG 3.3Å; I29-H33 WeakPolarHBondContact O-CA 3.25Å; I29-H33 VanDerWaalsContact O-CB 3.25Å; I29-H33 WeakPolarHBondContact O-CB 3.42Å; I29-H33 PolarHBondContact O-N 3.16Å
30E81.4Confident73.1Confident139 Ų13993.6 Ų93.665%0.6548%0.478SS*.Hα-helixtrans-62.1-44178.7-72.9178.8132.200112.8R26 A27R26-E30 PolarHBondContact O-N 2.87Å; A27-E30 PolarHBondContact O-N 2.69Å
31E76.1Confident70.8Confident143 Ų14393.8 Ų93.867%0.66848%0.48SS*.Hα-helixtrans-70.9-35.2177-70.1-177.1-170.900112.9A27A27-E31 PolarHBondContact O-N 2.65Å
32S74.5Confident68.6Low11 Ų1196.6 Ų96.68%0.07749%0.49CS..Hα-helixtrans-83.5-17.9178.567.50000114F28 I29 I34 F35 H36F28-S32 WeakPolarHBondContact O-CA 3.25Å; F28-S32 WeakPolarHBondContact O-CB 3.4Å; F28-S32 PolarHBondContact O-N 2.65Å; F28-S32 PolarHBondContact O-OG 2.63Å; I29-S32 PolarHBondContact O-N 2.81Å; I29-S32 PolarHBondContact O-OG 3.3Å; S32-I34 PolarHBondContact O-N 2.68Å; S32-I34 VanDerWaalsContact O-N 3.07Å; S32-F35 WeakPolarHBondContact O-CA 3.42Å; S32-F35 WeakPolarHBondContact O-CB 3.32Å; S32-F35 PolarHBondContact O-N 2.89Å; S32-H36 PolarHBondContact O-N 3.3Å
33H69.2Low66.7Low135 Ų13595.4 Ų95.463%0.62548%0.481SS*.THydrogen-bonded Turntrans-59.2-26.1-179.2-149.8-47.6000112.9I29 F35I29-H33 WeakPolarHBondContact O-CA 3.25Å; I29-H33 VanDerWaalsContact O-CB 3.25Å; I29-H33 WeakPolarHBondContact O-CB 3.42Å; I29-H33 PolarHBondContact O-N 3.16Å; H33-F35 PolarHBondContact O-N 2.75Å
34I64.2Low65Low109 Ų10998.2 Ų98.256%0.55948%0.484SS*.THydrogen-bonded Turntrans-62.3-34.5173.9-40.7175.5000110.4S32 M38S32-I34 PolarHBondContact O-N 2.68Å; S32-I34 VanDerWaalsContact O-N 3.07Å; I34-M38 HydrophobicContact CG2-CE 4.17Å; I34-M38 HydrophobicContact CG2-SD 4.32Å; I34-M38 VanDerWaalsContact O-CE 3.26Å; I34-M38 WeakPolarHBondContact O-CE 3.43Å; I34-M38 WeakPolarHBondContact O-CG 3.43Å
35F56.1Low63.4Low71 Ų7196.9 Ų96.931%0.31147%0.474SS..THydrogen-bonded Turntrans-93.8-16.9-172.1-58.4-87.5000114I9 S32 H33 G37 M38 W43I9-F35 HydrophobicContact CD1-CB 3.89Å; S32-F35 WeakPolarHBondContact O-CA 3.42Å; S32-F35 WeakPolarHBondContact O-CB 3.32Å; S32-F35 PolarHBondContact O-N 2.89Å; H33-F35 PolarHBondContact O-N 2.75Å; F35-G37 PolarHBondContact O-N 3.4Å; F35-M38 HydrophobicContact CD1-CE 3.68Å; F35-M38 HydrophobicContact CE1-CE 4.09Å; F35-M38 HydrophobicContact CG-CE 4.25Å; F35-M38 PolarHBondContact O-N 2.92Å; F35-W43 HydrophobicContact CB-CZ2 4.39Å; F35-W43 AromaticContact CD1-CD1 3.85Å; F35-W43 HydrophobicContact CD1-CD2 4.19Å; F35-W43 HydrophobicContact CD1-CG 4.09Å; F35-W43 AromaticContact CD1-NE1 3.77Å
36H55.4Low62Low80 Ų80100 Ų10037%0.3750%0.5SS..THydrogen-bonded Turntrans-68112.8172.8-98.863.4000110.7I9 D10 S32I9-H36 VanDerWaalsContact CG2-CE1 3.49Å; I9-H36 WeakPolarHBondContact CG2-CE1 3.45Å; D10-H36 IonicContact OD1-CE1 2.7Å; D10-H36 PolarHBondContact OD1-CE1 2.98Å; D10-H36 VanDerWaalsContact OD1-CE1 3.25Å; D10-H36 IonicContact OD1-NE2 3.22Å; D10-H36 PolarHBondContact OD1-NE2 2.94Å; D10-H36 IonicContact OD2-NE2 3.47Å; S32-H36 PolarHBondContact O-N 3.3Å
37G54.4Low61.2Low87 Ų8794.6 Ų94.690%0.89749%0.491SS*.THydrogen-bonded Turntrans84-2.2178.900000115.6F35F35-G37 PolarHBondContact O-N 3.4Å
38M45.6Very low60.3Low47 Ų4794.9 Ų94.923%0.23249%0.487CS..  trans-71135169.3-84.2-160.7-41.500111.2I34 F35 Q42I34-M38 HydrophobicContact CG2-CE 4.17Å; I34-M38 HydrophobicContact CG2-SD 4.32Å; I34-M38 VanDerWaalsContact O-CE 3.26Å; I34-M38 WeakPolarHBondContact O-CE 3.43Å; I34-M38 WeakPolarHBondContact O-CG 3.43Å; F35-M38 HydrophobicContact CD1-CE 3.68Å; F35-M38 HydrophobicContact CE1-CE 4.09Å; F35-M38 HydrophobicContact CG-CE 4.25Å; F35-M38 PolarHBondContact O-N 2.92Å; M38-Q42 HydrophobicContact CB-CB 4.42Å; M38-Q42 HydrophobicContact CE-CB 4.03Å; M38-Q42 HydrophobicContact CG-CB 4.39Å; M38-Q42 HydrophobicContact SD-CB 3.57Å; M38-Q42 VanDerWaalsContact SD-CB 3.57Å; M38-Q42 PolarHBondContact SD-OE1 2.84Å
39N47.3Very low59.5Low110 Ų11097 Ų9759%0.58850%0.496SS*.  trans-63.1150.2171.3-159.7-0.9000110.5E41 Q42N39-E41 PolarHBondContact O-N 3.39Å; N39-Q42 PolarHBondContact O-N 2.9Å
40L47.9Very low59Low104 Ų10498 Ų9855%0.54550%0.498SS..THydrogen-bonded Turntrans-56.1-24.2-171-89.279000113.7Q42 W43 K50L40-Q42 VanDerWaalsContact C-N 3.27Å; L40-Q42 PolarHBondContact O-N 2.96Å; L40-W43 PolarHBondContact O-N 3.07Å; L40-K50 WeakPolarHBondContact O-CE 3.45Å
41E41.1Very low58.8Low152 Ų15295.3 Ų95.371%0.7148%0.484SS*.THydrogen-bonded Turntrans-62.5-27.3176.7-63179.5176.300113.9N39 K50N39-E41 PolarHBondContact O-N 3.39Å; E41-K50 PolarHBondContact O-NZ 3Å
42Q42.3Very low59.1Low135 Ų13589.6 Ų89.663%0.63146%0.457SS*.THydrogen-bonded Turntrans-96.4-11-179.9-67-170.1-8.600114.3M38 N39 L40M38-Q42 HydrophobicContact CB-CB 4.42Å; M38-Q42 HydrophobicContact CE-CB 4.03Å; M38-Q42 HydrophobicContact CG-CB 4.39Å; M38-Q42 HydrophobicContact SD-CB 3.57Å; M38-Q42 VanDerWaalsContact SD-CB 3.57Å; M38-Q42 PolarHBondContact SD-OE1 2.84Å; N39-Q42 PolarHBondContact O-N 2.9Å; L40-Q42 VanDerWaalsContact C-N 3.27Å; L40-Q42 PolarHBondContact O-N 2.96Å
43W45.8Very low59.4Low98 Ų9892.2 Ų92.237%0.37147%0.469SS..SBendtrans-59.8154161.7-8753.5000110.3I9 F35 L40 P45 K50I9-W43 HydrophobicContact CD1-CZ2 4.16Å; F35-W43 HydrophobicContact CB-CZ2 4.39Å; F35-W43 AromaticContact CD1-CD1 3.85Å; F35-W43 HydrophobicContact CD1-CD2 4.19Å; F35-W43 HydrophobicContact CD1-CG 4.09Å; F35-W43 AromaticContact CD1-NE1 3.77Å; L40-W43 PolarHBondContact O-N 3.07Å; W43-P45 HydrophobicContact CB-CG 4.39Å; W43-P45 WeakPolarHBondContact O-CD 3.29Å; W43-K50 WeakPolarHBondContact O-CE 3.47Å; W43-K50 PolarHBondContact O-NZ 2.83Å
44R50.6Low60.2Low236 Ų23691 Ų9189%0.89146%0.463SS*.  trans-107.568.6168.5-61.7-171.5-173.4-167.44.7112.4
45P55.1Low61.2Low35 Ų3585.9 Ų85.923%0.22744%0.437CS..  trans-60163.9157.1-13.230.6000109.5W43 F49 K50W43-P45 HydrophobicContact CB-CG 4.39Å; W43-P45 WeakPolarHBondContact O-CD 3.29Å; P45-F49 HydrophobicContact CB-CB 3.83Å; P45-F49 HydrophobicContact CB-CD1 3.46Å; P45-F49 VanDerWaalsContact CB-CD1 3.46Å; P45-F49 HydrophobicContact CB-CE1 4.33Å; P45-F49 HydrophobicContact CB-CG 3.95Å; P45-F49 HydrophobicContact CG-CD1 3.79Å; P45-F49 HydrophobicContact CG-CE1 4.3Å; P45-K50 HydrophobicContact CG-CG 4.1Å
46A59Low62.6Low70 Ų7083.2 Ų83.258%0.57943%0.426SS*.  trans-52.7145.5160.900000109.5D48 F49 K50A46-D48 PolarHBondContact O-N 3.5Å; A46-F49 PolarHBondContact O-N 2.81Å; A46-K50 PolarHBondContact O-N 3.08Å
47S65.5Low64.1Low74 Ų7483.8 Ų83.852%0.51743%0.432SS..Hα-helixtrans-45.3-37.6-178.732.80000112.9K50 K51S47-K50 PolarHBondContact O-N 3.32Å; S47-K51 WeakPolarHBondContact O-CG 3.36Å; S47-K51 PolarHBondContact O-N 2.85Å; S47-K51 VanDerWaalsContact O-N 3.12Å
48D68Low65.6Low47 Ų4780.7 Ų80.725%0.25140%0.395SS..Hα-helixtrans-86.3-22.3-167.2-41.5-64.1000111.4A46 K51 K52 I175A46-D48 PolarHBondContact O-N 3.5Å; D48-K51 IonicContact OD1-NZ 3.29Å; D48-K51 PolarHBondContact OD1-NZ 3.42Å; D48-K52 VanDerWaalsContact O-CB 3.32Å; D48-K52 WeakPolarHBondContact O-CB 3.47Å; D48-K52 PolarHBondContact O-N 3.31Å; D48-I175 HydrophobicContact CB-CD1 3.91Å; D48-I175 HydrophobicContact CB-CG1 4.22Å; D48-I175 HydrophobicContact CB-CG2 3.87Å; D48-I175 WeakPolarHBondContact O-CD1 3.09Å
49F68.4Low67.5Low101 Ų10178.5 Ų78.544%0.44338%0.384SS..Hα-helixtrans-68.2-37.7166.2-178.7-86.6000111.6P45 A46 K52 Q53P45-F49 HydrophobicContact CB-CB 3.83Å; P45-F49 HydrophobicContact CB-CD1 3.46Å; P45-F49 VanDerWaalsContact CB-CD1 3.46Å; P45-F49 HydrophobicContact CB-CE1 4.33Å; P45-F49 HydrophobicContact CB-CG 3.95Å; P45-F49 HydrophobicContact CG-CD1 3.79Å; P45-F49 HydrophobicContact CG-CE1 4.3Å; A46-F49 PolarHBondContact O-N 2.81Å; F49-K52 PolarHBondContact O-N 2.71Å; F49-Q53 HydrophobicContact CD1-CG 4.42Å; F49-Q53 HydrophobicContact CE1-CG 4.04Å; F49-Q53 VanDerWaalsContact CE1-OE1 3.23Å; F49-Q53 HydrophobicContact CZ-CG 4.34Å; F49-Q53 PolarHBondContact O-N 3.05Å
50K70.8Confident69.2Low73 Ų7379.7 Ų79.732%0.31738%0.38SS..Hα-helixtrans-63.7-49.7172-87.3-176.3172.1168.20111.2L40 E41 W43 P45 A46 S47 K52 Q53 E54L40-K50 WeakPolarHBondContact O-CE 3.45Å; E41-K50 PolarHBondContact O-NZ 3Å; W43-K50 WeakPolarHBondContact O-CE 3.47Å; W43-K50 PolarHBondContact O-NZ 2.83Å; P45-K50 HydrophobicContact CG-CG 4.1Å; A46-K50 PolarHBondContact O-N 3.08Å; S47-K50 PolarHBondContact O-N 3.32Å; K50-K52 VanDerWaalsContact C-N 3.27Å; K50-K52 PolarHBondContact O-N 3.19Å; K50-Q53 PolarHBondContact O-N 3Å; K50-Q53 VanDerWaalsContact O-N 3.14Å; K50-E54 WeakPolarHBondContact O-CB 3.2Å; K50-E54 PolarHBondContact O-N 3.43Å
51K77.7Confident70.7Confident83 Ų8377.5 Ų77.536%0.36137%0.371SS..Hα-helixtrans-56.8-38.8173.9-62.9171.7-168.5161.70112.3S47 D48 E54 V55 L74S47-K51 WeakPolarHBondContact O-CG 3.36Å; S47-K51 PolarHBondContact O-N 2.85Å; S47-K51 VanDerWaalsContact O-N 3.12Å; D48-K51 IonicContact OD1-NZ 3.29Å; D48-K51 PolarHBondContact OD1-NZ 3.42Å; K51-E54 WeakPolarHBondContact O-CB 3.4Å; K51-E54 PolarHBondContact O-N 3.04Å; K51-V55 WeakPolarHBondContact O-CG2 3.41Å; K51-V55 PolarHBondContact O-N 3.3Å; K51-L74 HydrophobicContact CB-CD1 3.58Å; K51-L74 HydrophobicContact CB-CG 3.92Å; K51-L74 HydrophobicContact CD-CG 4.22Å
52K83.1Confident72.5Confident23 Ų2374.2 Ų74.210%0.136%0.359CS..Hα-helixtrans-61.9-48.7175178-178.4-176.3-166.40111.6D48 F49 K50 E54 V55 V56 S168 I171 D172 I175D48-K52 VanDerWaalsContact O-CB 3.32Å; D48-K52 WeakPolarHBondContact O-CB 3.47Å; D48-K52 PolarHBondContact O-N 3.31Å; F49-K52 PolarHBondContact O-N 2.71Å; K50-K52 VanDerWaalsContact C-N 3.27Å; K50-K52 PolarHBondContact O-N 3.19Å; K52-E54 VanDerWaalsContact C-N 3.32Å; K52-V55 PolarHBondContact O-N 2.94Å; K52-V56 HydrophobicContact CG-CG2 4.44Å; K52-V56 WeakPolarHBondContact O-CB 3.48Å; K52-V56 VanDerWaalsContact O-CG2 3.32Å; K52-V56 WeakPolarHBondContact O-CG2 3.3Å; K52-V56 PolarHBondContact O-N 3.44Å; K52-S168 WeakPolarHBondContact CE-O 3.36Å; K52-S168 WeakPolarHBondContact CE-OG 3.46Å; K52-S168 PolarHBondContact NZ-O 3.06Å; K52-S168 PolarHBondContact NZ-OG 3.38Å; K52-I171 HydrophobicContact CB-CG2 3.81Å; K52-I171 HydrophobicContact CD-CG2 3.97Å; K52-I171 HydrophobicContact CG-CB 4.29Å; K52-I171 HydrophobicContact CG-CG2 3.63Å; K52-D172 WeakPolarHBondContact CD-OD1 3.48Å; K52-D172 WeakPolarHBondContact CE-OD1 3.12Å; K52-D172 IonicContact NZ-OD1 2.75Å; K52-D172 PolarHBondContact NZ-OD1 3.32Å; K52-D172 IonicContact NZ-OD2 2.77Å; K52-D172 PolarHBondContact NZ-OD2 3.18Å; K52-I175 HydrophobicContact CB-CD1 4.11Å
53Q81.1Confident74.4Confident67 Ų6772.1 Ų72.131%0.31335%0.347SS..Hα-helixtrans-65-37177.7-77-173.1-45.600112F49 K50 V56 N57F49-Q53 HydrophobicContact CD1-CG 4.42Å; F49-Q53 HydrophobicContact CE1-CG 4.04Å; F49-Q53 VanDerWaalsContact CE1-OE1 3.23Å; F49-Q53 HydrophobicContact CZ-CG 4.34Å; F49-Q53 PolarHBondContact O-N 3.05Å; K50-Q53 PolarHBondContact O-N 3Å; K50-Q53 VanDerWaalsContact O-N 3.14Å; Q53-V56 PolarHBondContact O-N 3.34Å; Q53-N57 VanDerWaalsContact O-CB 3.23Å; Q53-N57 WeakPolarHBondContact O-CB 3.46Å; Q53-N57 PolarHBondContact O-N 2.69Å; Q53-N57 PolarHBondContact O-ND2 3.27Å
54E84.5Confident76.3Confident109 Ų10968.9 Ų68.951%0.50934%0.336SS..Hα-helixtrans-57.5-53.4171.9-177.1179.4-173.300111.3K50 K51 K52 V56 N57 L58K50-E54 WeakPolarHBondContact O-CB 3.2Å; K50-E54 PolarHBondContact O-N 3.43Å; K51-E54 WeakPolarHBondContact O-CB 3.4Å; K51-E54 PolarHBondContact O-N 3.04Å; K52-E54 VanDerWaalsContact C-N 3.32Å; E54-V56 PolarHBondContact O-N 3.04Å; E54-N57 PolarHBondContact O-N 3.29Å; E54-L58 HydrophobicContact CG-CD1 4.05Å; E54-L58 WeakPolarHBondContact O-CB 3.45Å; E54-L58 VanDerWaalsContact O-CG 3.3Å; E54-L58 WeakPolarHBondContact O-CG 3.39Å; E54-L58 PolarHBondContact O-N 3.39Å
55V86.2Confident78Confident1 Ų165 Ų651%0.00633%0.328CS..Hα-helixtrans-60.5-43.9176.7172.60000112.5K51 K52 N57 L58 L59 F67 A70 L71 L74 L167 I171K51-V55 WeakPolarHBondContact O-CG2 3.41Å; K51-V55 PolarHBondContact O-N 3.3Å; K52-V55 PolarHBondContact O-N 2.94Å; V55-N57 VanDerWaalsContact C-N 3.35Å; V55-N57 PolarHBondContact O-N 3.05Å; V55-L58 PolarHBondContact O-N 2.87Å; V55-L59 PolarHBondContact O-N 3.48Å; V55-L59 VanDerWaalsContact O-N 3.07Å; V55-F67 HydrophobicContact CG1-CD2 4.16Å; V55-F67 HydrophobicContact CG1-CE2 3.57Å; V55-F67 HydrophobicContact CG1-CZ 4.23Å; V55-F67 WeakPolarHBondContact O-CD2 3.47Å; V55-F67 WeakPolarHBondContact O-CE2 3.45Å; V55-A70 HydrophobicContact CG2-CB 3.61Å; V55-L71 HydrophobicContact CG1-CB 4.25Å; V55-L71 HydrophobicContact CG1-CD1 4.12Å; V55-L74 HydrophobicContact CG2-CD1 4.04Å; V55-L167 HydrophobicContact CG1-CD2 4.27Å; V55-I171 HydrophobicContact CB-CD1 4.17Å; V55-I171 HydrophobicContact CG1-CD1 3.66Å
56V85.9Confident79.6Confident16 Ų1667.9 Ų67.910%0.09734%0.339CS..Hα-helixtrans-68.2-33.1179.4168.50000112.2K52 Q53 E54 V164K52-V56 HydrophobicContact CG-CG2 4.44Å; K52-V56 WeakPolarHBondContact O-CB 3.48Å; K52-V56 VanDerWaalsContact O-CG2 3.32Å; K52-V56 WeakPolarHBondContact O-CG2 3.3Å; K52-V56 PolarHBondContact O-N 3.44Å; Q53-V56 PolarHBondContact O-N 3.34Å; E54-V56 PolarHBondContact O-N 3.04Å; V56-V164 HydrophobicContact CG1-CG1 4.08Å
57N85Confident81.2Confident91 Ų9164.6 Ų64.649%0.48731%0.311SS..Hα-helixtrans-75.4-39.2174.1-71.1-15.1000111.5Q53 E54 V55 L59 R60 T61Q53-N57 VanDerWaalsContact O-CB 3.23Å; Q53-N57 WeakPolarHBondContact O-CB 3.46Å; Q53-N57 PolarHBondContact O-N 2.69Å; Q53-N57 PolarHBondContact O-ND2 3.27Å; E54-N57 PolarHBondContact O-N 3.29Å; V55-N57 VanDerWaalsContact C-N 3.35Å; V55-N57 PolarHBondContact O-N 3.05Å; N57-L59 VanDerWaalsContact C-N 3.27Å; N57-L59 PolarHBondContact O-N 2.81Å; N57-R60 PolarHBondContact O-N 2.98Å; N57-T61 PolarHBondContact O-N 3.47Å
58L86.1Confident82.4Confident23 Ų2362.2 Ų62.212%0.1229%0.291CS..Hα-helixtrans-60.7-34.5175.3-78.1168.2000112.2E54 V55 R60 T61 K63 E66 F67 A70E54-L58 HydrophobicContact CG-CD1 4.05Å; E54-L58 WeakPolarHBondContact O-CB 3.45Å; E54-L58 VanDerWaalsContact O-CG 3.3Å; E54-L58 WeakPolarHBondContact O-CG 3.39Å; E54-L58 PolarHBondContact O-N 3.39Å; V55-L58 PolarHBondContact O-N 2.87Å; L58-R60 VanDerWaalsContact C-N 3.27Å; L58-R60 PolarHBondContact O-N 3.47Å; L58-T61 WeakPolarHBondContact CA-OG1 3.49Å; L58-T61 PolarHBondContact O-N 2.84Å; L58-T61 PolarHBondContact O-OG1 3.03Å; L58-K63 HydrophobicContact CD2-CD 4.3Å; L58-E66 HydrophobicContact CD2-CB 3.9Å; L58-F67 HydrophobicContact CB-CB 4.11Å; L58-F67 HydrophobicContact CB-CD2 4.21Å; L58-A70 HydrophobicContact CD1-CB 3.58Å
59L86.2Confident83.4Confident0 Ų064.6 Ų64.60%030%0.304CS..Hα-helixtrans-62.1-33.4172.8-17661000112.7V55 N57 T61 F67 I92 F95 F96 V164 L167V55-L59 PolarHBondContact O-N 3.48Å; V55-L59 VanDerWaalsContact O-N 3.07Å; N57-L59 VanDerWaalsContact C-N 3.27Å; N57-L59 PolarHBondContact O-N 2.81Å; L59-T61 VanDerWaalsContact C-N 3.31Å; L59-F67 HydrophobicContact CB-CD2 3.82Å; L59-F67 HydrophobicContact CB-CE2 3.71Å; L59-F67 HydrophobicContact CD1-CD2 4.39Å; L59-F67 HydrophobicContact CD1-CE2 4.12Å; L59-F67 HydrophobicContact CD1-CZ 4.32Å; L59-F67 HydrophobicContact CG-CE2 4.36Å; L59-I92 HydrophobicContact CD1-CG2 4.18Å; L59-F95 HydrophobicContact CD1-CD1 3.64Å; L59-F95 HydrophobicContact CD1-CE1 3.84Å; L59-F95 HydrophobicContact CD1-CG 4.31Å; L59-F95 HydrophobicContact CG-CD1 4.09Å; L59-F95 HydrophobicContact CG-CE1 3.81Å; L59-F95 HydrophobicContact CG-CZ 4.18Å; L59-F95 WeakPolarHBondContact O-CE1 3.46Å; L59-F96 HydrophobicContact CD1-CD2 4.38Å; L59-F96 HydrophobicContact CD1-CE1 4.44Å; L59-F96 HydrophobicContact CD1-CE2 3.68Å; L59-F96 HydrophobicContact CD1-CZ 3.72Å; L59-V164 HydrophobicContact CD2-CG2 4.01Å; L59-L167 HydrophobicContact CD2-CD2 3.69Å
60R83.1Confident84.3Confident135 Ų13560.5 Ų60.551%0.50929%0.289SS..Hα-helixtrans-80.5-10.7177.8-68.2-174.1172.9122.5-6.6113.5N57 L58N57-R60 PolarHBondContact O-N 2.98Å; L58-R60 VanDerWaalsContact C-N 3.27Å; L58-R60 PolarHBondContact O-N 3.47Å
61T78.9Confident85.2Confident58 Ų5857 Ų5736%0.35627%0.274SS..THydrogen-bonded Turntrans-98.6147.5169.560.30000110.2N57 L58 L59 K63N57-T61 PolarHBondContact O-N 3.47Å; L58-T61 WeakPolarHBondContact CA-OG1 3.49Å; L58-T61 PolarHBondContact O-N 2.84Å; L58-T61 PolarHBondContact O-OG1 3.03Å; L59-T61 VanDerWaalsContact C-N 3.31Å; T61-K63 PolarHBondContact O-N 3.09Å; T61-K63 WeakPolarHBondContact OG1-CD 3.47Å
62N79.1Confident85.7Confident84 Ų8456.1 Ų56.145%0.44927%0.27SS..THydrogen-bonded Turntrans-77.359.6177.5-162.36.8000111.9F100N62-F100 HydrophobicContact CB-CD1 3.89Å; N62-F100 HydrophobicContact CB-CD2 3.81Å; N62-F100 HydrophobicContact CB-CE1 4.01Å; N62-F100 HydrophobicContact CB-CE2 3.93Å; N62-F100 HydrophobicContact CB-CG 3.8Å; N62-F100 HydrophobicContact CB-CZ 4.03Å; N62-F100 WeakPolarHBondContact OD1-CD2 3.39Å
63K83.1Confident85.8Confident90 Ų9061.7 Ų61.739%0.39130%0.3SS..  trans-128.461.1-171.1-75.6171.7155.9-96.70110.9L58 T61 E65 E66 F67L58-K63 HydrophobicContact CD2-CD 4.3Å; T61-K63 PolarHBondContact O-N 3.09Å; T61-K63 WeakPolarHBondContact OG1-CD 3.47Å; K63-E65 PolarHBondContact O-N 3.3Å; K63-E66 HydrophobicContact CB-CB 4.25Å; K63-E66 IonicContact NZ-OE1 2.69Å; K63-E66 PolarHBondContact NZ-OE1 2.97Å; K63-E66 IonicContact NZ-OE2 2.8Å; K63-E66 PolarHBondContact NZ-OE2 2.96Å; K63-E66 PolarHBondContact O-N 2.78Å; K63-F67 PolarHBondContact O-N 2.85Å
64K84.8Confident85.9Confident30 Ų3059.5 Ų59.513%0.1329%0.291CS..Hα-helixtrans-53.1-44.4-171.3-165.7-180-173.5-167.80114.1Y68 N93 F96 E115K64-Y68 HydrophobicContact CD-CE2 4.5Å; K64-Y68 HydrophobicContact CG-CD2 3.92Å; K64-Y68 HydrophobicContact CG-CE2 3.89Å; K64-Y68 VanDerWaalsContact O-CD2 3.31Å; K64-Y68 WeakPolarHBondContact O-CD2 3.33Å; K64-Y68 PolarHBondContact O-N 3.24Å; K64-N93 VanDerWaalsContact CE-OD1 3.25Å; K64-N93 WeakPolarHBondContact CE-OD1 3.2Å; K64-N93 PolarHBondContact NZ-OD1 3.41Å; K64-F96 HydrophobicContact CB-CD1 4.24Å; K64-F96 HydrophobicContact CB-CE1 4.29Å; K64-F96 HydrophobicContact CB-CG 4.39Å; K64-F96 HydrophobicContact CB-CZ 4.46Å; K64-F96 HydrophobicContact CD-CB 4.41Å; K64-F96 HydrophobicContact CD-CD2 4.43Å; K64-F96 HydrophobicContact CD-CG 4.37Å; K64-F96 HydrophobicContact CG-CD1 4.4Å; K64-F96 HydrophobicContact CG-CD2 3.9Å; K64-F96 HydrophobicContact CG-CE2 4.11Å; K64-F96 HydrophobicContact CG-CG 4.07Å; K64-F96 HydrophobicContact CG-CZ 4.47Å; K64-E115 WeakPolarHBondContact CD-OE1 3.2Å; K64-E115 WeakPolarHBondContact CD-OE2 3.47Å; K64-E115 WeakPolarHBondContact CE-OE1 3.29Å; K64-E115 IonicContact NZ-OE1 3.64Å; K64-E115 PolarHBondContact NZ-OE1 2.99Å; K64-E115 IonicContact NZ-OE2 3.2Å; K64-E115 PolarHBondContact NZ-OE2 3.17Å
65E86.5Confident85.9Confident156 Ų15654.5 Ų54.573%0.72927%0.268SS*.Hα-helixtrans-68.7-44.5179.2-68.5-162.6155.700113.2K63 F67 Y68 N69K63-E65 PolarHBondContact O-N 3.3Å; E65-F67 VanDerWaalsContact C-N 3.29Å; E65-F67 PolarHBondContact O-N 2.87Å; E65-Y68 PolarHBondContact O-N 3.1Å; E65-N69 WeakPolarHBondContact O-CB 3.31Å; E65-N69 PolarHBondContact O-N 3.44Å; E65-N69 PolarHBondContact O-ND2 3.49Å
66E88.9Confident85.7Confident95 Ų9557.5 Ų57.544%0.44429%0.287SS..Hα-helixtrans-61.8-41.4176.9-69.3171.6-133.700110.7L58 K63 N69 A70L58-E66 HydrophobicContact CD2-CB 3.9Å; K63-E66 HydrophobicContact CB-CB 4.25Å; K63-E66 IonicContact NZ-OE1 2.69Å; K63-E66 PolarHBondContact NZ-OE1 2.97Å; K63-E66 IonicContact NZ-OE2 2.8Å; K63-E66 PolarHBondContact NZ-OE2 2.96Å; K63-E66 PolarHBondContact O-N 2.78Å; E66-N69 PolarHBondContact O-N 3.07Å; E66-A70 WeakPolarHBondContact O-CB 3.17Å; E66-A70 PolarHBondContact O-N 3.5Å
67F92.2Very high85.4Confident0 Ų062.4 Ų62.40%031%0.309CS..Hα-helixtrans-56.4-53.2172.8171.3-91.7000112.4V55 L58 L59 K63 E65 N69 A70 L71 I92 F96 L167V55-F67 HydrophobicContact CG1-CD2 4.16Å; V55-F67 HydrophobicContact CG1-CE2 3.57Å; V55-F67 HydrophobicContact CG1-CZ 4.23Å; V55-F67 WeakPolarHBondContact O-CD2 3.47Å; V55-F67 WeakPolarHBondContact O-CE2 3.45Å; L58-F67 HydrophobicContact CB-CB 4.11Å; L58-F67 HydrophobicContact CB-CD2 4.21Å; L59-F67 HydrophobicContact CB-CD2 3.82Å; L59-F67 HydrophobicContact CB-CE2 3.71Å; L59-F67 HydrophobicContact CD1-CD2 4.39Å; L59-F67 HydrophobicContact CD1-CE2 4.12Å; L59-F67 HydrophobicContact CD1-CZ 4.32Å; L59-F67 HydrophobicContact CG-CE2 4.36Å; K63-F67 PolarHBondContact O-N 2.85Å; E65-F67 VanDerWaalsContact C-N 3.29Å; E65-F67 PolarHBondContact O-N 2.87Å; F67-N69 PolarHBondContact O-N 3.2Å; F67-A70 PolarHBondContact O-N 3.02Å; F67-L71 HydrophobicContact CE1-CB 4.36Å; F67-L71 HydrophobicContact CE1-CD2 3.75Å; F67-L71 HydrophobicContact CZ-CB 4.38Å; F67-L71 HydrophobicContact CZ-CD2 3.84Å; F67-L71 WeakPolarHBondContact O-CB 3.49Å; F67-L71 PolarHBondContact O-N 2.82Å; F67-I92 HydrophobicContact CD1-CG2 4.34Å; F67-I92 HydrophobicContact CE1-CD1 4.31Å; F67-I92 HydrophobicContact CE1-CG2 3.64Å; F67-I92 HydrophobicContact CZ-CD1 4.03Å; F67-I92 HydrophobicContact CZ-CG2 4.11Å; F67-F96 HydrophobicContact CB-CE2 4.37Å; F67-F96 HydrophobicContact CB-CZ 3.81Å; F67-F96 AromaticContact CD1-CE2 3.65Å; F67-F96 HydrophobicContact CD1-CE2 3.65Å; F67-F96 AromaticContact CD1-CZ 3.93Å; F67-F96 HydrophobicContact CD1-CZ 3.93Å; F67-F96 HydrophobicContact CD2-CZ 4.39Å; F67-F96 HydrophobicContact CE1-CE2 4.19Å; F67-F96 AromaticContact CG-CE2 3.97Å; F67-F96 HydrophobicContact CG-CE2 3.97Å; F67-F96 AromaticContact CG-CZ 3.75Å; F67-F96 HydrophobicContact CG-CZ 3.75Å; F67-L167 HydrophobicContact CE2-CD2 3.67Å; F67-L167 HydrophobicContact CZ-CD2 3.71Å
68Y89.6Confident85.2Confident25 Ų2563 Ų6310%0.09832%0.316CS..Hα-helixtrans-66.3-38-177.9-86.6-67.1000112.3K64 E65 L71 F72 E89 I92 N93K64-Y68 HydrophobicContact CD-CE2 4.5Å; K64-Y68 HydrophobicContact CG-CD2 3.92Å; K64-Y68 HydrophobicContact CG-CE2 3.89Å; K64-Y68 VanDerWaalsContact O-CD2 3.31Å; K64-Y68 WeakPolarHBondContact O-CD2 3.33Å; K64-Y68 PolarHBondContact O-N 3.24Å; E65-Y68 PolarHBondContact O-N 3.1Å; Y68-L71 HydrophobicContact CD1-CD2 4.35Å; Y68-L71 HydrophobicContact CE1-CD2 4.41Å; Y68-L71 PolarHBondContact O-N 3.03Å; Y68-F72 AromaticContact CD1-CE1 3.86Å; Y68-F72 HydrophobicContact CD1-CE1 3.86Å; Y68-F72 AromaticContact CD1-CE2 3.97Å; Y68-F72 HydrophobicContact CD1-CE2 3.97Å; Y68-F72 AromaticContact CD1-CZ 3.5Å; Y68-F72 HydrophobicContact CD1-CZ 3.5Å; Y68-F72 VanDerWaalsContact CD1-CZ 3.5Å; Y68-F72 HydrophobicContact CE1-CE1 4.43Å; Y68-F72 HydrophobicContact CE1-CZ 4.15Å; Y68-F72 HydrophobicContact CG-CE2 4.38Å; Y68-F72 HydrophobicContact CG-CZ 4.33Å; Y68-F72 WeakPolarHBondContact O-CB 3.44Å; Y68-F72 VanDerWaalsContact O-CD2 3.32Å; Y68-F72 WeakPolarHBondContact O-CD2 3.18Å; Y68-F72 WeakPolarHBondContact O-CG 3.34Å; Y68-F72 PolarHBondContact O-N 3.01Å; Y68-E89 HydrophobicContact CE1-CG 4.19Å; Y68-I92 WeakPolarHBondContact OH-CG2 3.4Å; Y68-N93 PolarHBondContact OH-ND2 3.13Å
69N89.7Confident85Confident96 Ų9663.9 Ų63.951%0.51332%0.32SS..Hα-helixtrans-61.6-44.9173.7-75.6-52.3000111.8E65 E66 F67 N73E65-N69 WeakPolarHBondContact O-CB 3.31Å; E65-N69 PolarHBondContact O-N 3.44Å; E65-N69 PolarHBondContact O-ND2 3.49Å; E66-N69 PolarHBondContact O-N 3.07Å; F67-N69 PolarHBondContact O-N 3.2Å; N69-N73 WeakPolarHBondContact O-CB 3.43Å; N69-N73 VanDerWaalsContact O-CG 3.26Å; N69-N73 PolarHBondContact O-N 3.48Å; N69-N73 PolarHBondContact O-ND2 3.41Å
70A88.1Confident84.7Confident16 Ų1666 Ų6613%0.13233%0.328CS..Hα-helixtrans-65-43176.300000112.2V55 L58 E66 F67 N73 L74V55-A70 HydrophobicContact CG2-CB 3.61Å; L58-A70 HydrophobicContact CD1-CB 3.58Å; E66-A70 WeakPolarHBondContact O-CB 3.17Å; E66-A70 PolarHBondContact O-N 3.5Å; F67-A70 PolarHBondContact O-N 3.02Å; A70-N73 PolarHBondContact O-N 3.09Å; A70-L74 PolarHBondContact O-N 3.18Å
71L88.3Confident84.6Confident0 Ų066.9 Ų66.90%034%0.338CS..Hα-helixtrans-63.4-44.6176.8-179.964.2000112V55 F67 Y68 N73 L74 V75 F85 L167 I171V55-L71 HydrophobicContact CG1-CB 4.25Å; V55-L71 HydrophobicContact CG1-CD1 4.12Å; F67-L71 HydrophobicContact CE1-CB 4.36Å; F67-L71 HydrophobicContact CE1-CD2 3.75Å; F67-L71 HydrophobicContact CZ-CB 4.38Å; F67-L71 HydrophobicContact CZ-CD2 3.84Å; F67-L71 WeakPolarHBondContact O-CB 3.49Å; F67-L71 PolarHBondContact O-N 2.82Å; Y68-L71 HydrophobicContact CD1-CD2 4.35Å; Y68-L71 HydrophobicContact CE1-CD2 4.41Å; Y68-L71 PolarHBondContact O-N 3.03Å; L71-N73 VanDerWaalsContact C-N 3.33Å; L71-N73 PolarHBondContact O-N 3.25Å; L71-L74 WeakPolarHBondContact O-CA 3.4Å; L71-L74 WeakPolarHBondContact O-CB 3.27Å; L71-L74 PolarHBondContact O-N 2.98Å; L71-V75 HydrophobicContact CD1-CG2 3.74Å; L71-V75 HydrophobicContact CG-CG2 4.38Å; L71-V75 PolarHBondContact O-N 3.28Å; L71-F85 HydrophobicContact CD2-CE2 4.09Å; L71-F85 HydrophobicContact CD2-CZ 3.94Å; L71-F85 HydrophobicContact CG-CE2 4.4Å; L71-F85 HydrophobicContact CG-CZ 4.43Å; L71-L167 HydrophobicContact CD1-CD1 3.96Å; L71-I171 HydrophobicContact CD1-CD1 4.35Å; L71-I171 HydrophobicContact CD1-CG1 4.39Å
72F88.4Confident84.7Confident63 Ų6368.3 Ų68.328%0.27634%0.339SS..Hα-helixtrans-73.6-21.6-178.9-67.8-18.4000113.7Y68 L74 R80 F85Y68-F72 AromaticContact CD1-CE1 3.86Å; Y68-F72 HydrophobicContact CD1-CE1 3.86Å; Y68-F72 AromaticContact CD1-CE2 3.97Å; Y68-F72 HydrophobicContact CD1-CE2 3.97Å; Y68-F72 AromaticContact CD1-CZ 3.5Å; Y68-F72 HydrophobicContact CD1-CZ 3.5Å; Y68-F72 VanDerWaalsContact CD1-CZ 3.5Å; Y68-F72 HydrophobicContact CE1-CE1 4.43Å; Y68-F72 HydrophobicContact CE1-CZ 4.15Å; Y68-F72 HydrophobicContact CG-CE2 4.38Å; Y68-F72 HydrophobicContact CG-CZ 4.33Å; Y68-F72 WeakPolarHBondContact O-CB 3.44Å; Y68-F72 VanDerWaalsContact O-CD2 3.32Å; Y68-F72 WeakPolarHBondContact O-CD2 3.18Å; Y68-F72 WeakPolarHBondContact O-CG 3.34Å; Y68-F72 PolarHBondContact O-N 3.01Å; F72-L74 VanDerWaalsContact C-N 3.26Å; F72-R80 PolarHBondContact O-NH1 2.93Å; F72-F85 HydrophobicContact CD1-CZ 4.48Å; F72-F85 HydrophobicContact CE1-CE1 4.27Å; F72-F85 HydrophobicContact CE1-CZ 4Å
73N86.2Confident84.7Confident140 Ų14071.1 Ų71.175%0.74935%0.349SS*.THydrogen-bonded Turntrans-75.9-13.3166.4-76.4-35.5000113.2N69 A70 L71N69-N73 WeakPolarHBondContact O-CB 3.43Å; N69-N73 VanDerWaalsContact O-CG 3.26Å; N69-N73 PolarHBondContact O-N 3.48Å; N69-N73 PolarHBondContact O-ND2 3.41Å; A70-N73 PolarHBondContact O-N 3.09Å; L71-N73 VanDerWaalsContact C-N 3.33Å; L71-N73 PolarHBondContact O-N 3.25Å
74L83.9Confident84.6Confident22 Ų2272.7 Ų72.712%0.11536%0.358CS..THydrogen-bonded Turntrans-104-37.7-179.4-124.6178000112.9K51 V55 A70 L71 F72 I171 I175K51-L74 HydrophobicContact CB-CD1 3.58Å; K51-L74 HydrophobicContact CB-CG 3.92Å; K51-L74 HydrophobicContact CD-CG 4.22Å; V55-L74 HydrophobicContact CG2-CD1 4.04Å; A70-L74 PolarHBondContact O-N 3.18Å; L71-L74 WeakPolarHBondContact O-CA 3.4Å; L71-L74 WeakPolarHBondContact O-CB 3.27Å; L71-L74 PolarHBondContact O-N 2.98Å; F72-L74 VanDerWaalsContact C-N 3.26Å; L74-I171 HydrophobicContact CD1-CG2 4.09Å; L74-I175 HydrophobicContact CD1-CD1 4.28Å; L74-I175 HydrophobicContact CD2-CD1 3.58Å; L74-I175 HydrophobicContact CD2-CG1 3.52Å
75V83.7Confident84.7Confident3 Ų371.3 Ų71.32%0.01835%0.352CS..SBendtrans-101.4113.6-175.3-178.80000110.9L71 E79 R80 F85 Y170L71-V75 HydrophobicContact CD1-CG2 3.74Å; L71-V75 HydrophobicContact CG-CG2 4.38Å; L71-V75 PolarHBondContact O-N 3.28Å; V75-E79 HydrophobicContact CG1-CB 3.68Å; V75-R80 HydrophobicContact CB-CG 4.48Å; V75-R80 HydrophobicContact CG1-CG 3.88Å; V75-F85 HydrophobicContact CB-CE2 4.36Å; V75-F85 HydrophobicContact CG1-CD2 4.08Å; V75-F85 HydrophobicContact CG1-CE2 3.96Å; V75-F85 HydrophobicContact CG2-CE2 4.26Å; V75-Y170 HydrophobicContact CG1-CE1 4.25Å
76P81.3Confident84.6Confident65 Ų6565.4 Ų65.442%0.42233%0.325SS..  trans-60.1150.6179.6-24.534.7000113.7T78 E79 R80P76-T78 PolarHBondContact O-N 3.2Å; P76-T78 VanDerWaalsContact O-N 3.1Å; P76-E79 HydrophobicContact CB-CG 4.49Å; P76-E79 HydrophobicContact CG-CG 4.49Å; P76-E79 WeakPolarHBondContact O-CA 3.2Å; P76-E79 WeakPolarHBondContact O-CB 3.24Å; P76-E79 PolarHBondContact O-N 3.3Å; P76-R80 PolarHBondContact O-N 3Å; P76-R80 VanDerWaalsContact O-N 3.09Å
77E80.7Confident84.4Confident118 Ų11863.8 Ų63.855%0.55132%0.318SS*.Hα-helixtrans-50.8-37.1178.9-168.2100.4-106.200113.6E79 R80 Q81E77-E79 VanDerWaalsContact C-N 3.31Å; E77-E79 PolarHBondContact O-N 3.17Å; E77-R80 PolarHBondContact O-N 3.18Å; E77-R80 IonicContact OE1-CZ 3.23Å; E77-R80 IonicContact OE1-NE 2.75Å; E77-R80 IonicContact OE1-NH2 3.38Å; E77-R80 PolarHBondContact OE1-NH2 3.01Å; E77-R80 IonicContact OE2-NH2 3.35Å; E77-R80 PolarHBondContact OE2-NH2 2.96Å; E77-Q81 PolarHBondContact O-N 3.28Å
78T79.4Confident84.1Confident104 Ų10464.2 Ų64.264%0.63832%0.32SS*.Hα-helixtrans-67.4-27.8177.148.50000113.8P76P76-T78 PolarHBondContact O-N 3.2Å; P76-T78 VanDerWaalsContact O-N 3.1Å
79E82Confident84.1Confident41 Ų4163.5 Ų63.519%0.19232%0.318CS..Hα-helixtrans-81.5-36.6174-63.3-60.8120.500110.6V75 P76 E77 Q81 K82 V174V75-E79 HydrophobicContact CG1-CB 3.68Å; P76-E79 HydrophobicContact CB-CG 4.49Å; P76-E79 HydrophobicContact CG-CG 4.49Å; P76-E79 WeakPolarHBondContact O-CA 3.2Å; P76-E79 WeakPolarHBondContact O-CB 3.24Å; P76-E79 PolarHBondContact O-N 3.3Å; E77-E79 VanDerWaalsContact C-N 3.31Å; E77-E79 PolarHBondContact O-N 3.17Å; E79-Q81 PolarHBondContact O-N 3.16Å; E79-K82 WeakPolarHBondContact O-CB 3.42Å; E79-K82 PolarHBondContact O-N 3.35Å; E79-K82 WeakPolarHBondContact OE1-CE 3.31Å; E79-K82 IonicContact OE1-NZ 3.49Å; E79-K82 PolarHBondContact OE1-NZ 2.75Å; E79-K82 WeakPolarHBondContact OE2-CD 3.49Å; E79-K82 VanDerWaalsContact OE2-CE 3.28Å; E79-K82 WeakPolarHBondContact OE2-CE 3.32Å; E79-K82 IonicContact OE2-NZ 3.6Å; E79-K82 PolarHBondContact OE2-NZ 3.32Å; E79-V174 HydrophobicContact CB-CG2 4.38Å; E79-V174 HydrophobicContact CG-CG1 4.35Å; E79-V174 HydrophobicContact CG-CG2 4.17Å
80R81.4Confident84Confident46 Ų4659 Ų5917%0.17429%0.293CS..Hα-helixtrans-61.5-16.3178-61.1-163.3-62.6-131.313.8114.8F72 V75 P76 E77 F85F72-R80 PolarHBondContact O-NH1 2.93Å; V75-R80 HydrophobicContact CB-CG 4.48Å; V75-R80 HydrophobicContact CG1-CG 3.88Å; P76-R80 PolarHBondContact O-N 3Å; P76-R80 VanDerWaalsContact O-N 3.09Å; E77-R80 PolarHBondContact O-N 3.18Å; E77-R80 IonicContact OE1-CZ 3.23Å; E77-R80 IonicContact OE1-NE 2.75Å; E77-R80 IonicContact OE1-NH2 3.38Å; E77-R80 PolarHBondContact OE1-NH2 3.01Å; E77-R80 IonicContact OE2-NH2 3.35Å; E77-R80 PolarHBondContact OE2-NH2 2.96Å; R80-F85 HydrophobicContact CB-CD1 4.08Å; R80-F85 HydrophobicContact CB-CE1 4.11Å; R80-F85 HydrophobicContact CG-CD1 4.35Å; R80-F85 HydrophobicContact CG-CE1 4.02Å; R80-F85 HydrophobicContact CG-CZ 4.23Å
81Q80.7Confident84Confident152 Ų15258.8 Ų58.871%0.7129%0.29SS*.THydrogen-bonded Turntrans-91.7-5.8175.4-64.8-175.811.700113.6E77 E79E77-Q81 PolarHBondContact O-N 3.28Å; E79-Q81 PolarHBondContact O-N 3.16Å
82K80.7Confident84.1Confident88 Ų8858.9 Ų58.938%0.38329%0.291SS..SBendtrans-73.8141.8177.1-66.9-177.4-178.9171.70111.1E79 E84 F85 L86E79-K82 WeakPolarHBondContact O-CB 3.42Å; E79-K82 PolarHBondContact O-N 3.35Å; E79-K82 WeakPolarHBondContact OE1-CE 3.31Å; E79-K82 IonicContact OE1-NZ 3.49Å; E79-K82 PolarHBondContact OE1-NZ 2.75Å; E79-K82 WeakPolarHBondContact OE2-CD 3.49Å; E79-K82 VanDerWaalsContact OE2-CE 3.28Å; E79-K82 WeakPolarHBondContact OE2-CE 3.32Å; E79-K82 IonicContact OE2-NZ 3.6Å; E79-K82 PolarHBondContact OE2-NZ 3.32Å; K82-E84 PolarHBondContact O-N 2.97Å; K82-F85 PolarHBondContact O-N 3.38Å; K82-L86 WeakPolarHBondContact O-CG 3.11Å; K82-L86 PolarHBondContact O-N 3.09Å; K82-L86 VanDerWaalsContact O-N 3.08Å
83Q79.6Confident84.2Confident144 Ų14456.2 Ų56.267%0.67328%0.279SS*.Hα-helixtrans-55.6-37.9178.5-170.2170.4-6.700112.5F85 L86 Q87Q83-F85 PolarHBondContact O-N 2.9Å; Q83-L86 PolarHBondContact O-N 3.31Å; Q83-Q87 WeakPolarHBondContact O-CG 3.42Å; Q83-Q87 PolarHBondContact O-N 3.37Å
84E81.5Confident84.3Confident123 Ų12349.7 Ų49.758%0.57524%0.244SC*.Hα-helixtrans-57.9-44.2173.6-62.1175.7168.400113K82 L88 Y170K82-E84 PolarHBondContact O-N 2.97Å; E84-L88 WeakPolarHBondContact O-CB 3.45Å; E84-L88 PolarHBondContact O-N 3.27Å; E84-Y170 HydrophobicContact CB-CE2 4.02Å
85F86.2Confident84.6Confident1 Ų149.1 Ų49.10%0.00424%0.241CC..Hα-helixtrans-68.8-41.6177.7-175.3-95.1000111.1L71 F72 V75 R80 K82 Q83 Q87 L88 E89 Y170L71-F85 HydrophobicContact CD2-CE2 4.09Å; L71-F85 HydrophobicContact CD2-CZ 3.94Å; L71-F85 HydrophobicContact CG-CE2 4.4Å; L71-F85 HydrophobicContact CG-CZ 4.43Å; F72-F85 HydrophobicContact CD1-CZ 4.48Å; F72-F85 HydrophobicContact CE1-CE1 4.27Å; F72-F85 HydrophobicContact CE1-CZ 4Å; V75-F85 HydrophobicContact CB-CE2 4.36Å; V75-F85 HydrophobicContact CG1-CD2 4.08Å; V75-F85 HydrophobicContact CG1-CE2 3.96Å; V75-F85 HydrophobicContact CG2-CE2 4.26Å; R80-F85 HydrophobicContact CB-CD1 4.08Å; R80-F85 HydrophobicContact CB-CE1 4.11Å; R80-F85 HydrophobicContact CG-CD1 4.35Å; R80-F85 HydrophobicContact CG-CE1 4.02Å; R80-F85 HydrophobicContact CG-CZ 4.23Å; K82-F85 PolarHBondContact O-N 3.38Å; Q83-F85 PolarHBondContact O-N 2.9Å; F85-Q87 VanDerWaalsContact C-N 3.34Å; F85-Q87 PolarHBondContact O-N 3.18Å; F85-L88 CarbonylContact O-C 3.59Å; F85-L88 PolarHBondContact O-N 3.31Å; F85-E89 HydrophobicContact CE1-CB 4.37Å; F85-E89 WeakPolarHBondContact CE1-OE2 3.45Å; F85-E89 WeakPolarHBondContact O-CB 3.34Å; F85-E89 PolarHBondContact O-N 3.47Å; F85-Y170 HydrophobicContact CB-CE1 4.33Å; F85-Y170 HydrophobicContact CD2-CD1 4.11Å; F85-Y170 AromaticContact CD2-CE1 3.54Å; F85-Y170 HydrophobicContact CD2-CE1 3.54Å; F85-Y170 HydrophobicContact CE2-CE1 4.37Å; F85-Y170 HydrophobicContact CG-CE1 4.4Å
86L83.5Confident84.9Confident32 Ų3249.5 Ų49.517%0.16824%0.242CC..Hα-helixtrans-67.4-35.1-179.8-61.8169.2000111.6K82 Q83 F90 H127K82-L86 WeakPolarHBondContact O-CG 3.11Å; K82-L86 PolarHBondContact O-N 3.09Å; K82-L86 VanDerWaalsContact O-N 3.08Å; Q83-L86 PolarHBondContact O-N 3.31Å; L86-F90 PolarHBondContact O-N 3.12Å; L86-H127 PolarHBondContact O-NE2 3.32Å
87Q84.3Confident85.1Confident61 Ų6146.9 Ų46.929%0.28523%0.225SC..Hα-helixtrans-62.2-51169.3-75.9179.4-38.400110.8Q83 F85 E89 F90 D91 F133Q83-Q87 WeakPolarHBondContact O-CG 3.42Å; Q83-Q87 PolarHBondContact O-N 3.37Å; F85-Q87 VanDerWaalsContact C-N 3.34Å; F85-Q87 PolarHBondContact O-N 3.18Å; Q87-E89 VanDerWaalsContact C-N 3.3Å; Q87-E89 PolarHBondContact O-N 3.25Å; Q87-F90 WeakPolarHBondContact O-CA 3.45Å; Q87-F90 VanDerWaalsContact O-CB 3.31Å; Q87-F90 WeakPolarHBondContact O-CB 3.43Å; Q87-F90 PolarHBondContact O-N 3.38Å; Q87-D91 PolarHBondContact O-N 2.66Å; Q87-F133 HydrophobicContact CB-CZ 4.46Å; Q87-F133 HydrophobicContact CG-CE2 3.99Å; Q87-F133 HydrophobicContact CG-CZ 4.13Å
88L87.2Confident85.4Confident9 Ų941.4 Ų41.45%0.04720%0.199CC..Hα-helixtrans-59.8-36.5177.6179.262.2000113E84 F85 F90 D91 I92 R166 L167 Y170E84-L88 WeakPolarHBondContact O-CB 3.45Å; E84-L88 PolarHBondContact O-N 3.27Å; F85-L88 CarbonylContact O-C 3.59Å; F85-L88 PolarHBondContact O-N 3.31Å; L88-F90 VanDerWaalsContact C-N 3.32Å; L88-F90 PolarHBondContact O-N 2.73Å; L88-D91 PolarHBondContact O-N 3.26Å; L88-I92 HydrophobicContact CD1-CD1 4.07Å; L88-I92 HydrophobicContact CD1-CG1 4.35Å; L88-I92 HydrophobicContact CG-CD1 3.82Å; L88-I92 WeakPolarHBondContact O-CB 3.49Å; L88-I92 WeakPolarHBondContact O-CD1 3.46Å; L88-I92 WeakPolarHBondContact O-CG1 3.37Å; L88-I92 PolarHBondContact O-N 2.94Å; L88-R166 HydrophobicContact CD1-CB 4.08Å; L88-L167 HydrophobicContact CD1-CB 4.25Å; L88-L167 HydrophobicContact CD2-CD1 4.02Å; L88-Y170 HydrophobicContact CD2-CD1 4.08Å; L88-Y170 HydrophobicContact CD2-CD2 4.42Å; L88-Y170 HydrophobicContact CD2-CG 3.76Å
89E88.4Confident85.6Confident10 Ų1037.1 Ų37.15%0.04718%0.175CC..Hα-helixtrans-65.7-34.2174.3-174.2177.5162.700112.1Y68 F85 Q87 N93 Y119 R123Y68-E89 HydrophobicContact CE1-CG 4.19Å; F85-E89 HydrophobicContact CE1-CB 4.37Å; F85-E89 WeakPolarHBondContact CE1-OE2 3.45Å; F85-E89 WeakPolarHBondContact O-CB 3.34Å; F85-E89 PolarHBondContact O-N 3.47Å; Q87-E89 VanDerWaalsContact C-N 3.3Å; Q87-E89 PolarHBondContact O-N 3.25Å; E89-N93 PolarHBondContact O-N 3.32Å; E89-N93 PolarHBondContact O-ND2 3.14Å; E89-Y119 HydrophobicContact CG-CE2 4.24Å; E89-R123 IonicContact OE1-CZ 3.57Å; E89-R123 VanDerWaalsContact OE1-CZ 3.29Å; E89-R123 IonicContact OE1-NE 2.65Å; E89-R123 IonicContact OE1-NH2 2.69Å; E89-R123 PolarHBondContact OE1-NH2 2.85Å; E89-R123 IonicContact OE2-CZ 3.52Å; E89-R123 VanDerWaalsContact OE2-CZ 3.3Å; E89-R123 IonicContact OE2-NH1 2.65Å; E89-R123 IonicContact OE2-NH2 2.63Å; E89-R123 PolarHBondContact OE2-NH2 3.46Å
90F88.4Confident85.6Confident0 Ų036.1 Ų36.10%017%0.17CC..Hα-helixtrans-67.7-47.8173.4-169.8-82.5000110.9L86 Q87 L88 I92 N93 L94 F116 Y119 L120 H127 F133 Y136L86-F90 PolarHBondContact O-N 3.12Å; Q87-F90 WeakPolarHBondContact O-CA 3.45Å; Q87-F90 VanDerWaalsContact O-CB 3.31Å; Q87-F90 WeakPolarHBondContact O-CB 3.43Å; Q87-F90 PolarHBondContact O-N 3.38Å; L88-F90 VanDerWaalsContact C-N 3.32Å; L88-F90 PolarHBondContact O-N 2.73Å; F90-I92 VanDerWaalsContact C-N 3.3Å; F90-I92 PolarHBondContact O-N 2.72Å; F90-N93 PolarHBondContact O-N 2.67Å; F90-L94 HydrophobicContact CD1-CD1 4.46Å; F90-L94 HydrophobicContact CE1-CD1 3.93Å; F90-L94 HydrophobicContact CE1-CD2 4.21Å; F90-L94 HydrophobicContact CZ-CD1 4.44Å; F90-L94 PolarHBondContact O-N 3.06Å; F90-F116 HydrophobicContact CE2-CZ 4.41Å; F90-F116 HydrophobicContact CZ-CZ 4.17Å; F90-Y119 AromaticContact CD2-CE1 3.91Å; F90-Y119 HydrophobicContact CD2-CE1 3.91Å; F90-Y119 PolarHBondContact N-OH 3.22Å; F90-L120 HydrophobicContact CE2-CD2 3.67Å; F90-L120 HydrophobicContact CZ-CD2 4.24Å; F90-H127 AromaticContact CD2-CD2 3.58Å; F90-H127 AromaticContact CG-CD2 3.81Å; F90-F133 AromaticContact CD1-CD1 3.75Å; F90-F133 HydrophobicContact CD1-CD1 3.75Å; F90-F133 AromaticContact CD1-CE1 3.95Å; F90-F133 HydrophobicContact CD1-CE1 3.95Å; F90-F133 HydrophobicContact CD1-CG 4.23Å; F90-F133 HydrophobicContact CE1-CB 4.17Å; F90-F133 AromaticContact CE1-CD1 3.61Å; F90-F133 HydrophobicContact CE1-CD1 3.61Å; F90-F133 HydrophobicContact CE1-CE1 4.27Å; F90-F133 HydrophobicContact CE1-CG 4.02Å; F90-F133 HydrophobicContact CE2-CB 4.42Å; F90-F133 HydrophobicContact CZ-CB 3.96Å; F90-F133 HydrophobicContact CZ-CD1 4.27Å; F90-F133 HydrophobicContact CZ-CG 4.24Å; F90-Y136 AromaticContact CE1-CD2 3.87Å; F90-Y136 HydrophobicContact CE1-CD2 3.87Å; F90-Y136 HydrophobicContact CE1-CG 4.35Å; F90-Y136 HydrophobicContact CZ-CD2 4.26Å
91D88.8Confident85.6Confident13 Ų1335.3 Ų35.37%0.0717%0.167CC..Hα-helixtrans-56.2-41.6173.4-78-78.9000112.6Q87 L88 L94 F95 V163 R166Q87-D91 PolarHBondContact O-N 2.66Å; L88-D91 PolarHBondContact O-N 3.26Å; D91-L94 WeakPolarHBondContact O-CB 3.36Å; D91-L94 PolarHBondContact O-N 3.35Å; D91-F95 WeakPolarHBondContact O-CB 3.37Å; D91-F95 PolarHBondContact O-N 3.09Å; D91-V163 HydrophobicContact CB-CG1 4.3Å; D91-V163 HydrophobicContact CB-CG2 4.33Å; D91-R166 VanDerWaalsContact CG-NH2 3.31Å; D91-R166 IonicContact OD1-CZ 2.77Å; D91-R166 IonicContact OD1-NH1 3.23Å; D91-R166 PolarHBondContact OD1-NH1 2.79Å; D91-R166 VanDerWaalsContact OD1-NH1 3.08Å; D91-R166 IonicContact OD1-NH2 3.7Å; D91-R166 PolarHBondContact OD1-NH2 2.78Å; D91-R166 IonicContact OD2-CZ 3.37Å; D91-R166 IonicContact OD2-NH1 2.75Å; D91-R166 PolarHBondContact OD2-NH1 2.82Å; D91-R166 IonicContact OD2-NH2 3.88Å
92I90.7Very high85.5Confident1 Ų136.4 Ų36.41%0.00517%0.172CC..Hα-helixtrans-68.8-39.3178.8-71.3162.5000111.5L59 F67 Y68 L88 F90 L94 F95 F96 V163 L167L59-I92 HydrophobicContact CD1-CG2 4.18Å; F67-I92 HydrophobicContact CD1-CG2 4.34Å; F67-I92 HydrophobicContact CE1-CD1 4.31Å; F67-I92 HydrophobicContact CE1-CG2 3.64Å; F67-I92 HydrophobicContact CZ-CD1 4.03Å; F67-I92 HydrophobicContact CZ-CG2 4.11Å; Y68-I92 WeakPolarHBondContact OH-CG2 3.4Å; L88-I92 HydrophobicContact CD1-CD1 4.07Å; L88-I92 HydrophobicContact CD1-CG1 4.35Å; L88-I92 HydrophobicContact CG-CD1 3.82Å; L88-I92 WeakPolarHBondContact O-CB 3.49Å; L88-I92 WeakPolarHBondContact O-CD1 3.46Å; L88-I92 WeakPolarHBondContact O-CG1 3.37Å; L88-I92 PolarHBondContact O-N 2.94Å; F90-I92 VanDerWaalsContact C-N 3.3Å; F90-I92 PolarHBondContact O-N 2.72Å; I92-L94 VanDerWaalsContact C-N 3.33Å; I92-F95 WeakPolarHBondContact O-CB 3.3Å; I92-F95 PolarHBondContact O-N 2.68Å; I92-F96 HydrophobicContact CG2-CD2 3.78Å; I92-F96 HydrophobicContact CG2-CE2 3.64Å; I92-F96 VanDerWaalsContact O-CD2 3.3Å; I92-F96 WeakPolarHBondContact O-CD2 3.37Å; I92-F96 PolarHBondContact O-N 2.77Å; I92-V163 HydrophobicContact CG1-CG1 4.04Å; I92-L167 HydrophobicContact CD1-CD1 4.1Å; I92-L167 HydrophobicContact CD1-CD2 4.41Å
93N89.4Confident85.4Confident7 Ų739.6 Ų39.64%0.03719%0.188CC..Hα-helixtrans-63.6-40.1172.8-85.2-74.3000111.8K64 Y68 E89 F90 F95 L97 F116 Y119K64-N93 VanDerWaalsContact CE-OD1 3.25Å; K64-N93 WeakPolarHBondContact CE-OD1 3.2Å; K64-N93 PolarHBondContact NZ-OD1 3.41Å; Y68-N93 PolarHBondContact OH-ND2 3.13Å; E89-N93 PolarHBondContact O-N 3.32Å; E89-N93 PolarHBondContact O-ND2 3.14Å; F90-N93 PolarHBondContact O-N 2.67Å; N93-F95 VanDerWaalsContact C-N 3.33Å; N93-L97 WeakPolarHBondContact O-CB 3.5Å; N93-L97 PolarHBondContact O-N 3.36Å; N93-F116 HydrophobicContact CB-CD2 3.96Å; N93-F116 HydrophobicContact CB-CE2 3.98Å; N93-Y119 HydrophobicContact CB-CD1 4.22Å; N93-Y119 HydrophobicContact CB-CE1 4.17Å; N93-Y119 WeakPolarHBondContact ND2-CE2 3.21Å
94L88.9Confident85.4Confident3 Ų333.4 Ų33.42%0.01616%0.161CC..Hα-helixtrans-61-41.2170.9-119.362.4000111.6F90 D91 I92 L97 T98 F116 Y136 L139 L154 W159F90-L94 HydrophobicContact CD1-CD1 4.46Å; F90-L94 HydrophobicContact CE1-CD1 3.93Å; F90-L94 HydrophobicContact CE1-CD2 4.21Å; F90-L94 HydrophobicContact CZ-CD1 4.44Å; F90-L94 PolarHBondContact O-N 3.06Å; D91-L94 WeakPolarHBondContact O-CB 3.36Å; D91-L94 PolarHBondContact O-N 3.35Å; I92-L94 VanDerWaalsContact C-N 3.33Å; L94-L97 WeakPolarHBondContact O-CB 3.1Å; L94-L97 PolarHBondContact O-N 3.42Å; L94-T98 PolarHBondContact O-N 2.86Å; L94-T98 PolarHBondContact O-OG1 2.74Å; L94-F116 HydrophobicContact CD1-CE1 3.92Å; L94-F116 HydrophobicContact CD1-CE2 3.71Å; L94-F116 HydrophobicContact CD1-CZ 3.26Å; L94-Y136 HydrophobicContact CD2-CD1 4.08Å; L94-Y136 HydrophobicContact CD2-CD2 4.34Å; L94-Y136 HydrophobicContact CD2-CE1 4.17Å; L94-Y136 HydrophobicContact CD2-CE2 4.44Å; L94-Y136 HydrophobicContact CD2-CG 4.18Å; L94-L139 HydrophobicContact CD1-CD2 4.26Å; L94-L154 HydrophobicContact CD2-CD1 3.74Å; L94-L154 HydrophobicContact CD2-CD2 3.76Å; L94-L154 HydrophobicContact CD2-CG 4.4Å; L94-L154 HydrophobicContact CG-CD1 3.98Å; L94-W159 HydrophobicContact CB-CH2 3.93Å; L94-W159 HydrophobicContact CB-CZ2 4.22Å; L94-W159 HydrophobicContact CD2-CZ2 4.41Å
95F90.8Very high85.5Confident10 Ų1031 Ų314%0.04415%0.152CC..Hα-helixtrans-63.2-48.1179.1-178.1-76.4000111.7L59 D91 I92 N93 L97 T98 A99 W159 R160 V163 V164L59-F95 HydrophobicContact CD1-CD1 3.64Å; L59-F95 HydrophobicContact CD1-CE1 3.84Å; L59-F95 HydrophobicContact CD1-CG 4.31Å; L59-F95 HydrophobicContact CG-CD1 4.09Å; L59-F95 HydrophobicContact CG-CE1 3.81Å; L59-F95 HydrophobicContact CG-CZ 4.18Å; L59-F95 WeakPolarHBondContact O-CE1 3.46Å; D91-F95 WeakPolarHBondContact O-CB 3.37Å; D91-F95 PolarHBondContact O-N 3.09Å; I92-F95 WeakPolarHBondContact O-CB 3.3Å; I92-F95 PolarHBondContact O-N 2.68Å; N93-F95 VanDerWaalsContact C-N 3.33Å; F95-L97 PolarHBondContact O-N 2.95Å; F95-T98 PolarHBondContact O-N 3.02Å; F95-A99 HydrophobicContact CD1-CB 3.89Å; F95-A99 HydrophobicContact CE1-CB 3.67Å; F95-A99 HydrophobicContact CG-CB 4.37Å; F95-A99 HydrophobicContact CZ-CB 4.02Å; F95-A99 WeakPolarHBondContact O-CB 3.42Å; F95-A99 PolarHBondContact O-N 3.01Å; F95-W159 HydrophobicContact CB-CH2 4.02Å; F95-W159 HydrophobicContact CB-CZ3 4.17Å; F95-W159 HydrophobicContact CD2-CZ3 4.22Å; F95-R160 HydrophobicContact CD2-CB 4.23Å; F95-R160 HydrophobicContact CD2-CG 4Å; F95-R160 HydrophobicContact CE2-CB 3.69Å; F95-R160 HydrophobicContact CE2-CG 3.78Å; F95-V163 HydrophobicContact CB-CG1 4.24Å; F95-V163 HydrophobicContact CD2-CB 3.89Å; F95-V163 HydrophobicContact CD2-CG1 4.12Å; F95-V163 HydrophobicContact CD2-CG2 4.19Å; F95-V163 HydrophobicContact CG-CG1 4.43Å; F95-V164 HydrophobicContact CE2-CG2 4.13Å; F95-V164 HydrophobicContact CZ-CG2 4.37Å
96F88.4Confident85.2Confident11 Ų1136.2 Ų36.25%0.04818%0.179CC..Hα-helixtrans-62.2-30.9175.8-80.4-68.2000112.4L59 K64 F67 I92 F100L59-F96 HydrophobicContact CD1-CD2 4.38Å; L59-F96 HydrophobicContact CD1-CE1 4.44Å; L59-F96 HydrophobicContact CD1-CE2 3.68Å; L59-F96 HydrophobicContact CD1-CZ 3.72Å; K64-F96 HydrophobicContact CB-CD1 4.24Å; K64-F96 HydrophobicContact CB-CE1 4.29Å; K64-F96 HydrophobicContact CB-CG 4.39Å; K64-F96 HydrophobicContact CB-CZ 4.46Å; K64-F96 HydrophobicContact CD-CB 4.41Å; K64-F96 HydrophobicContact CD-CD2 4.43Å; K64-F96 HydrophobicContact CD-CG 4.37Å; K64-F96 HydrophobicContact CG-CD1 4.4Å; K64-F96 HydrophobicContact CG-CD2 3.9Å; K64-F96 HydrophobicContact CG-CE2 4.11Å; K64-F96 HydrophobicContact CG-CG 4.07Å; K64-F96 HydrophobicContact CG-CZ 4.47Å; F67-F96 HydrophobicContact CB-CE2 4.37Å; F67-F96 HydrophobicContact CB-CZ 3.81Å; F67-F96 AromaticContact CD1-CE2 3.65Å; F67-F96 HydrophobicContact CD1-CE2 3.65Å; F67-F96 AromaticContact CD1-CZ 3.93Å; F67-F96 HydrophobicContact CD1-CZ 3.93Å; F67-F96 HydrophobicContact CD2-CZ 4.39Å; F67-F96 HydrophobicContact CE1-CE2 4.19Å; F67-F96 AromaticContact CG-CE2 3.97Å; F67-F96 HydrophobicContact CG-CE2 3.97Å; F67-F96 AromaticContact CG-CZ 3.75Å; F67-F96 HydrophobicContact CG-CZ 3.75Å; I92-F96 HydrophobicContact CG2-CD2 3.78Å; I92-F96 HydrophobicContact CG2-CE2 3.64Å; I92-F96 VanDerWaalsContact O-CD2 3.3Å; I92-F96 WeakPolarHBondContact O-CD2 3.37Å; I92-F96 PolarHBondContact O-N 2.77Å; F96-F100 AromaticContact CD1-CE2 3.95Å; F96-F100 HydrophobicContact CD1-CE2 3.95Å; F96-F100 HydrophobicContact CE1-CE2 4.29Å
97L86.6Confident85.1Confident10 Ų1040.8 Ų40.85%0.05220%0.204CC..Hα-helixtrans-72.7-37.3176.4-176.163.2000113.2N93 L94 F95 W101 M113 F116 L139N93-L97 WeakPolarHBondContact O-CB 3.5Å; N93-L97 PolarHBondContact O-N 3.36Å; L94-L97 WeakPolarHBondContact O-CB 3.1Å; L94-L97 PolarHBondContact O-N 3.42Å; F95-L97 PolarHBondContact O-N 2.95Å; L97-W101 HydrophobicContact CD1-CZ3 4.5Å; L97-M113 HydrophobicContact CD1-CE 4.49Å; L97-M113 HydrophobicContact CD1-SD 3.97Å; L97-M113 HydrophobicContact CD2-SD 3.93Å; L97-M113 HydrophobicContact CG-SD 4.48Å; L97-F116 HydrophobicContact CD2-CB 4.14Å; L97-F116 HydrophobicContact CD2-CD1 3.73Å; L97-F116 HydrophobicContact CD2-CE1 4.36Å; L97-F116 HydrophobicContact CD2-CG 3.93Å; L97-L139 HydrophobicContact CD2-CD2 3.61Å; L97-L139 HydrophobicContact CD2-CG 4.29Å
98T87.2Confident85Confident3 Ų342.2 Ų42.22%0.01821%0.211CC..Hα-helixtrans-102.3-30-174.165.80000115.3L94 F95 F100 W101 L154 F155L94-T98 PolarHBondContact O-N 2.86Å; L94-T98 PolarHBondContact O-OG1 2.74Å; F95-T98 PolarHBondContact O-N 3.02Å; T98-F100 PolarHBondContact O-N 3.36Å; T98-W101 VanDerWaalsContact O-CB 3.23Å; T98-W101 WeakPolarHBondContact O-CB 3.18Å; T98-W101 PolarHBondContact O-N 3.38Å; T98-L154 WeakPolarHBondContact CB-O 3.41Å; T98-L154 HydrophobicContact CG2-CB 3.77Å; T98-L154 HydrophobicContact CG2-CD1 4.26Å; T98-L154 PolarHBondContact OG1-O 3.28Å; T98-F155 HydrophobicContact CG2-CD1 4.37Å; T98-F155 HydrophobicContact CG2-CE1 3.8Å; T98-F155 HydrophobicContact CG2-CE2 4.13Å; T98-F155 HydrophobicContact CG2-CZ 3.66Å
99A82.7Confident84.8Confident15 Ų1544.6 Ų44.612%0.12422%0.219CC..THydrogen-bonded Turntrans-64.3-42.1-170.800000113.2F95 R160F95-A99 HydrophobicContact CD1-CB 3.89Å; F95-A99 HydrophobicContact CE1-CB 3.67Å; F95-A99 HydrophobicContact CG-CB 4.37Å; F95-A99 HydrophobicContact CZ-CB 4.02Å; F95-A99 WeakPolarHBondContact O-CB 3.42Å; F95-A99 PolarHBondContact O-N 3.01Å; A99-R160 PolarHBondContact O-NH1 2.87Å
100F82.4Confident84.6Confident20 Ų2050.2 Ų50.29%0.08825%0.245CC..THydrogen-bonded Turntrans-95.37.6-178.9-51.2-73.2000112.7N62 F96 T98 Q102 E103 C104N62-F100 HydrophobicContact CB-CD1 3.89Å; N62-F100 HydrophobicContact CB-CD2 3.81Å; N62-F100 HydrophobicContact CB-CE1 4.01Å; N62-F100 HydrophobicContact CB-CE2 3.93Å; N62-F100 HydrophobicContact CB-CG 3.8Å; N62-F100 HydrophobicContact CB-CZ 4.03Å; N62-F100 WeakPolarHBondContact OD1-CD2 3.39Å; F96-F100 AromaticContact CD1-CE2 3.95Å; F96-F100 HydrophobicContact CD1-CE2 3.95Å; F96-F100 HydrophobicContact CE1-CE2 4.29Å; T98-F100 PolarHBondContact O-N 3.36Å; F100-Q102 PolarHBondContact O-N 2.83Å; F100-Q102 VanDerWaalsContact O-N 3.09Å; F100-E103 PolarHBondContact O-N 3.49Å; F100-C104 PolarHBondContact O-N 3.07Å; F100-C104 PolarHBondContact O-SG 3.45Å; F100-C104 VanDerWaalsContact O-SG 3.4Å
101W81.7Confident84.4Confident29 Ų2952.7 Ų52.711%0.1127%0.266CS..THydrogen-bonded Turntrans-57.1-31.8-170.5-177.4-91000114.4L97 T98 R109 M113 P145 F155L97-W101 HydrophobicContact CD1-CZ3 4.5Å; T98-W101 VanDerWaalsContact O-CB 3.23Å; T98-W101 WeakPolarHBondContact O-CB 3.18Å; T98-W101 PolarHBondContact O-N 3.38Å; W101-R109 HydrophobicContact CD2-CG 4.21Å; W101-R109 HydrophobicContact CE3-CG 4.03Å; W101-R109 HydrophobicContact CH2-CB 4.13Å; W101-R109 HydrophobicContact CH2-CG 4.19Å; W101-R109 HydrophobicContact CZ2-CG 4.36Å; W101-R109 HydrophobicContact CZ3-CB 4.06Å; W101-R109 HydrophobicContact CZ3-CG 4.03Å; W101-R109 VanDerWaalsContact O-CZ 3.23Å; W101-R109 PolarHBondContact O-NE 3.05Å; W101-R109 PolarHBondContact O-NH2 3.48Å; W101-M113 HydrophobicContact CH2-CE 3.64Å; W101-M113 HydrophobicContact CZ3-CE 3.66Å; W101-P145 HydrophobicContact CH2-CG 3.59Å; W101-P145 HydrophobicContact CZ2-CG 3.56Å; W101-P145 HydrophobicContact CZ3-CG 4.1Å; W101-F155 HydrophobicContact CB-CD1 4.25Å; W101-F155 HydrophobicContact CB-CE1 3.76Å; W101-F155 AromaticContact CD1-CE1 3.91Å; W101-F155 HydrophobicContact CD2-CE1 4.07Å; W101-F155 HydrophobicContact CG-CD1 4.39Å; W101-F155 AromaticContact CG-CE1 3.63Å; W101-F155 HydrophobicContact CG-CE1 3.63Å
102Q78.5Confident84.1Confident174 Ų17453.8 Ų53.881%0.81328%0.275SS*.THydrogen-bonded Turntrans-77.4-27.6177.6-65.1-172.45.700113.1F100F100-Q102 PolarHBondContact O-N 2.83Å; F100-Q102 VanDerWaalsContact O-N 3.09Å
103E79.3Confident83.9Confident156 Ų15654.4 Ų54.473%0.72928%0.278SS*.THydrogen-bonded Turntrans-85.4-38-176.6-59.9176.9169.100111.7F100F100-E103 PolarHBondContact O-N 3.49Å
104C79.5Confident83.7Confident14 Ų1460.7 Ų60.710%0.09531%0.307CS..SBendtrans-63.9143.9177.9-63.30000112.7F100 E108 R109F100-C104 PolarHBondContact O-N 3.07Å; F100-C104 PolarHBondContact O-SG 3.45Å; F100-C104 VanDerWaalsContact O-SG 3.4Å; C104-E108 VanDerWaalsContact CA-OE2 3.27Å; C104-E108 WeakPolarHBondContact CA-OE2 3.48Å; C104-E108 HydrophobicContact CB-CB 3.88Å; C104-R109 HydrophobicContact CB-CG 4.07Å; C104-R109 PolarHBondContact O-NE 3.4Å; C104-R109 PolarHBondContact O-NH2 3.29Å
105N83.5Confident83.5Confident72 Ų7264.9 Ų64.939%0.38533%0.326SS..  trans-75.5175.5168.368.952.5000111.9D107 E108 R109N105-D107 VanDerWaalsContact C-N 3.33Å; N105-D107 PolarHBondContact O-N 3.39Å; N105-D107 PolarHBondContact OD1-N 3.47Å; N105-E108 VanDerWaalsContact CG-CD 3.41Å; N105-E108 PolarHBondContact N-OE2 2.78Å; N105-E108 PolarHBondContact ND2-OE1 3.32Å; N105-E108 PolarHBondContact ND2-OE2 3.39Å; N105-E108 VanDerWaalsContact ND2-OE2 3.16Å; N105-E108 PolarHBondContact O-N 2.96Å; N105-E108 PolarHBondContact OD1-N 3.23Å; N105-R109 VanDerWaalsContact O-CG 3.28Å; N105-R109 WeakPolarHBondContact O-CG 3.31Å; N105-R109 PolarHBondContact O-N 2.75Å
106N78.8Confident83.3Confident110 Ų11064.6 Ų64.659%0.58833%0.325SS*.Hα-helixtrans-67-31.1-175.5-78.5-7.9000113.7R109 H110N106-R109 PolarHBondContact OD1-NH1 3.02Å; N106-H110 PolarHBondContact O-N 3.17Å
107D81.3Confident83.2Confident129 Ų12967.2 Ų67.269%0.6934%0.336SS*.Hα-helixtrans-76.7-39.7-179.7-58.1-43000110.4N105 H110 A111N105-D107 VanDerWaalsContact C-N 3.33Å; N105-D107 PolarHBondContact O-N 3.39Å; N105-D107 PolarHBondContact OD1-N 3.47Å; D107-H110 PolarHBondContact O-N 3Å; D107-A111 WeakPolarHBondContact O-CB 3.23Å; D107-A111 PolarHBondContact O-N 3.29Å
108E82.7Confident83.1Confident90 Ų9071.7 Ų71.742%0.42136%0.36SS..Hα-helixtrans-60.2-46.6169.6-74.9158.4-171.300111.9C104 N105 H110 A111 S112C104-E108 VanDerWaalsContact CA-OE2 3.27Å; C104-E108 WeakPolarHBondContact CA-OE2 3.48Å; C104-E108 HydrophobicContact CB-CB 3.88Å; N105-E108 VanDerWaalsContact CG-CD 3.41Å; N105-E108 PolarHBondContact N-OE2 2.78Å; N105-E108 PolarHBondContact ND2-OE1 3.32Å; N105-E108 PolarHBondContact ND2-OE2 3.39Å; N105-E108 VanDerWaalsContact ND2-OE2 3.16Å; N105-E108 PolarHBondContact O-N 2.96Å; N105-E108 PolarHBondContact OD1-N 3.23Å; E108-H110 VanDerWaalsContact C-N 3.29Å; E108-H110 PolarHBondContact O-N 3.08Å; E108-A111 PolarHBondContact O-N 2.97Å; E108-S112 PolarHBondContact O-N 3.37Å; E108-S112 PolarHBondContact O-OG 2.91Å
109R82.6Confident83.1Confident59 Ų5972.6 Ų72.622%0.22336%0.363CS..Hα-helixtrans-56.2-44.1172.7-73.3171.9-1741299.7111.2W101 C104 N105 N106 M113W101-R109 HydrophobicContact CD2-CG 4.21Å; W101-R109 HydrophobicContact CE3-CG 4.03Å; W101-R109 HydrophobicContact CH2-CB 4.13Å; W101-R109 HydrophobicContact CH2-CG 4.19Å; W101-R109 HydrophobicContact CZ2-CG 4.36Å; W101-R109 HydrophobicContact CZ3-CB 4.06Å; W101-R109 HydrophobicContact CZ3-CG 4.03Å; W101-R109 VanDerWaalsContact O-CZ 3.23Å; W101-R109 PolarHBondContact O-NE 3.05Å; W101-R109 PolarHBondContact O-NH2 3.48Å; C104-R109 HydrophobicContact CB-CG 4.07Å; C104-R109 PolarHBondContact O-NE 3.4Å; C104-R109 PolarHBondContact O-NH2 3.29Å; N105-R109 VanDerWaalsContact O-CG 3.28Å; N105-R109 WeakPolarHBondContact O-CG 3.31Å; N105-R109 PolarHBondContact O-N 2.75Å; N106-R109 PolarHBondContact OD1-NH1 3.02Å; R109-M113 VanDerWaalsContact O-CB 3.25Å; R109-M113 WeakPolarHBondContact O-CB 3.38Å; R109-M113 PolarHBondContact O-N 3.25Å
110H83.5Confident83.1Confident128 Ų12872.2 Ų72.259%0.59336%0.359SS*.Hα-helixtrans-65.6-39.4177.2-107.5-60000112.8N106 D107 E108 M113 Q114N106-H110 PolarHBondContact O-N 3.17Å; D107-H110 PolarHBondContact O-N 3Å; E108-H110 VanDerWaalsContact C-N 3.29Å; E108-H110 PolarHBondContact O-N 3.08Å; H110-M113 PolarHBondContact O-N 2.89Å; H110-Q114 WeakPolarHBondContact O-CG 3.33Å; H110-Q114 PolarHBondContact O-N 2.82Å
111A84.7Confident83Confident53 Ų5377.1 Ų77.144%0.43838%0.382SS..Hα-helixtrans-64.9-50.2176.800000111.6D107 E108 M113 Q114 E115D107-A111 WeakPolarHBondContact O-CB 3.23Å; D107-A111 PolarHBondContact O-N 3.29Å; E108-A111 PolarHBondContact O-N 2.97Å; A111-M113 PolarHBondContact O-N 2.84Å; A111-Q114 PolarHBondContact O-N 2.7Å; A111-Q114 VanDerWaalsContact O-N 3.16Å; A111-E115 WeakPolarHBondContact O-CB 3.4Å; A111-E115 PolarHBondContact O-N 3.08Å
112S83.6Confident83Confident36 Ų3679.7 Ų79.725%0.25240%0.401SS..Hα-helixtrans-59.9-35.1174.6-60.20000112.3E108 E115 F116E108-S112 PolarHBondContact O-N 3.37Å; E108-S112 PolarHBondContact O-OG 2.91Å; S112-E115 PolarHBondContact O-N 2.73Å; S112-F116 WeakPolarHBondContact O-CB 3.34Å; S112-F116 PolarHBondContact O-N 2.76Å
113M85.3Confident82.6Confident14 Ų1476.4 Ų76.47%0.06938%0.381CS..Hα-helixtrans-69.4-37.8176.4-159.371.685.100112.6L97 W101 R109 H110 A111 K117 P140 P145L97-M113 HydrophobicContact CD1-CE 4.49Å; L97-M113 HydrophobicContact CD1-SD 3.97Å; L97-M113 HydrophobicContact CD2-SD 3.93Å; L97-M113 HydrophobicContact CG-SD 4.48Å; W101-M113 HydrophobicContact CH2-CE 3.64Å; W101-M113 HydrophobicContact CZ3-CE 3.66Å; R109-M113 VanDerWaalsContact O-CB 3.25Å; R109-M113 WeakPolarHBondContact O-CB 3.38Å; R109-M113 PolarHBondContact O-N 3.25Å; H110-M113 PolarHBondContact O-N 2.89Å; A111-M113 PolarHBondContact O-N 2.84Å; M113-K117 WeakPolarHBondContact O-CB 3.41Å; M113-K117 PolarHBondContact O-N 3.28Å; M113-P140 HydrophobicContact CG-CB 4.07Å; M113-P140 HydrophobicContact SD-CB 4.47Å; M113-P145 HydrophobicContact CE-CG 4.29Å
114Q85.2Confident81.8Confident138 Ų13869 Ų6965%0.64535%0.347SS*.Hα-helixtrans-69.7-37.9172.3-75.7-178.4-10.200112.2H110 A111 K117 L118H110-Q114 WeakPolarHBondContact O-CG 3.33Å; H110-Q114 PolarHBondContact O-N 2.82Å; A111-Q114 PolarHBondContact O-N 2.7Å; A111-Q114 VanDerWaalsContact O-N 3.16Å; Q114-K117 WeakPolarHBondContact O-CB 3.24Å; Q114-K117 PolarHBondContact O-N 2.88Å; Q114-L118 PolarHBondContact O-N 3.1Å
115E85.6Confident81Confident92 Ų9271.2 Ų71.243%0.4336%0.362SS..Hα-helixtrans-65.1-43.9175.9-159-137.316000111.3K64 A111 S112 K117 L118 Y119K64-E115 WeakPolarHBondContact CD-OE1 3.2Å; K64-E115 WeakPolarHBondContact CD-OE2 3.47Å; K64-E115 WeakPolarHBondContact CE-OE1 3.29Å; K64-E115 IonicContact NZ-OE1 3.64Å; K64-E115 PolarHBondContact NZ-OE1 2.99Å; K64-E115 IonicContact NZ-OE2 3.2Å; K64-E115 PolarHBondContact NZ-OE2 3.17Å; A111-E115 WeakPolarHBondContact O-CB 3.4Å; A111-E115 PolarHBondContact O-N 3.08Å; S112-E115 PolarHBondContact O-N 2.73Å; E115-K117 VanDerWaalsContact C-N 3.34Å; E115-K117 PolarHBondContact O-N 3.2Å; E115-L118 PolarHBondContact O-N 3.39Å; E115-Y119 PolarHBondContact O-N 3.2Å
116F86.9Confident80Confident3 Ų372.1 Ų72.11%0.01337%0.37CS..Hα-helixtrans-64.1-38173.4-176.6-116.1000112.2F90 N93 L94 L97 S112 Y119 L120 L139 P140F90-F116 HydrophobicContact CE2-CZ 4.41Å; F90-F116 HydrophobicContact CZ-CZ 4.17Å; N93-F116 HydrophobicContact CB-CD2 3.96Å; N93-F116 HydrophobicContact CB-CE2 3.98Å; L94-F116 HydrophobicContact CD1-CE1 3.92Å; L94-F116 HydrophobicContact CD1-CE2 3.71Å; L94-F116 HydrophobicContact CD1-CZ 3.26Å; L97-F116 HydrophobicContact CD2-CB 4.14Å; L97-F116 HydrophobicContact CD2-CD1 3.73Å; L97-F116 HydrophobicContact CD2-CE1 4.36Å; L97-F116 HydrophobicContact CD2-CG 3.93Å; S112-F116 WeakPolarHBondContact O-CB 3.34Å; S112-F116 PolarHBondContact O-N 2.76Å; F116-Y119 HydrophobicContact CD2-CD1 4.08Å; F116-Y119 AromaticContact CE2-CD1 3.91Å; F116-Y119 HydrophobicContact CE2-CD1 3.91Å; F116-Y119 HydrophobicContact CE2-CE1 4.34Å; F116-Y119 WeakPolarHBondContact O-CB 3.32Å; F116-Y119 PolarHBondContact O-N 3.06Å; F116-L120 HydrophobicContact CD1-CD1 4.05Å; F116-L120 HydrophobicContact CD1-CG 4.44Å; F116-L120 HydrophobicContact CE1-CD1 3.65Å; F116-L120 HydrophobicContact CE1-CD2 4.33Å; F116-L120 HydrophobicContact CE1-CG 4.03Å; F116-L120 HydrophobicContact CE2-CD2 4.47Å; F116-L120 HydrophobicContact CE2-CG 4.43Å; F116-L120 HydrophobicContact CZ-CD1 4.11Å; F116-L120 HydrophobicContact CZ-CD2 3.93Å; F116-L120 HydrophobicContact CZ-CG 4.01Å; F116-L120 WeakPolarHBondContact O-CG 3.48Å; F116-L120 PolarHBondContact O-N 2.98Å; F116-L139 HydrophobicContact CE1-CD2 4.19Å; F116-P140 HydrophobicContact CD1-CG 4.17Å
117K85.2Confident79Confident66 Ų6667.5 Ų67.529%0.28735%0.345SS..Hα-helixtrans-59.9-45171.4176.4174.8169.7167.30111.9M113 Q114 E115 Y119 L120 E121 P140 Y141M113-K117 WeakPolarHBondContact O-CB 3.41Å; M113-K117 PolarHBondContact O-N 3.28Å; Q114-K117 WeakPolarHBondContact O-CB 3.24Å; Q114-K117 PolarHBondContact O-N 2.88Å; E115-K117 VanDerWaalsContact C-N 3.34Å; E115-K117 PolarHBondContact O-N 3.2Å; K117-Y119 VanDerWaalsContact C-N 3.3Å; K117-Y119 PolarHBondContact O-N 3.3Å; K117-L120 WeakPolarHBondContact O-CB 3.31Å; K117-L120 PolarHBondContact O-N 2.91Å; K117-E121 WeakPolarHBondContact CE-OE1 3.29Å; K117-E121 IonicContact NZ-OE1 3.5Å; K117-E121 PolarHBondContact NZ-OE1 3.09Å; K117-E121 WeakPolarHBondContact O-CG 3.33Å; K117-E121 PolarHBondContact O-N 3.38Å; K117-P140 HydrophobicContact CB-CB 4.06Å; K117-P140 HydrophobicContact CB-CG 4.09Å; K117-Y141 WeakPolarHBondContact CE-OH 3.35Å; K117-Y141 PolarHBondContact NZ-OH 2.91Å
118L85.8Confident77.8Confident104 Ų10464.4 Ų64.455%0.54533%0.333SS..Hα-helixtrans-64-35.9177.4-173.966.4000111.8Q114 E115 E121 T122Q114-L118 PolarHBondContact O-N 3.1Å; E115-L118 PolarHBondContact O-N 3.39Å; L118-E121 PolarHBondContact O-N 3.46Å; L118-T122 HydrophobicContact CD1-CG2 4.49Å; L118-T122 WeakPolarHBondContact O-CB 3.47Å; L118-T122 WeakPolarHBondContact O-CG2 3.18Å; L118-T122 PolarHBondContact O-N 3.06Å; L118-T122 VanDerWaalsContact O-N 3.15Å; L118-T122 PolarHBondContact O-OG1 2.97Å
119Y86.1Confident76.7Confident22 Ų2267.7 Ų67.79%0.08635%0.348CS..Hα-helixtrans-61.8-46.3171170.7-99.4000112E89 F90 N93 E115 F116 K117 E121 T122 R123 G124E89-Y119 HydrophobicContact CG-CE2 4.24Å; F90-Y119 AromaticContact CD2-CE1 3.91Å; F90-Y119 HydrophobicContact CD2-CE1 3.91Å; F90-Y119 PolarHBondContact N-OH 3.22Å; N93-Y119 HydrophobicContact CB-CD1 4.22Å; N93-Y119 HydrophobicContact CB-CE1 4.17Å; N93-Y119 WeakPolarHBondContact ND2-CE2 3.21Å; E115-Y119 PolarHBondContact O-N 3.2Å; F116-Y119 HydrophobicContact CD2-CD1 4.08Å; F116-Y119 AromaticContact CE2-CD1 3.91Å; F116-Y119 HydrophobicContact CE2-CD1 3.91Å; F116-Y119 HydrophobicContact CE2-CE1 4.34Å; F116-Y119 WeakPolarHBondContact O-CB 3.32Å; F116-Y119 PolarHBondContact O-N 3.06Å; K117-Y119 VanDerWaalsContact C-N 3.3Å; K117-Y119 PolarHBondContact O-N 3.3Å; Y119-E121 PolarHBondContact O-N 3.44Å; Y119-T122 PolarHBondContact O-N 3.09Å; Y119-T122 PolarHBondContact O-OG1 2.79Å; Y119-R123 HydrophobicContact CD2-CB 4.2Å; Y119-R123 HydrophobicContact CE2-CB 3.91Å; Y119-R123 PolarHBondContact O-N 3.34Å; Y119-G124 PolarHBondContact O-N 3.3Å
120L82.7Confident75.8Confident8 Ų867 Ų674%0.04235%0.349CS..Hα-helixtrans-59.3-44.2175.7-70.8172.3000112.3F90 F116 K117 T122 G124 S125 Y137 P140F90-L120 HydrophobicContact CE2-CD2 3.67Å; F90-L120 HydrophobicContact CZ-CD2 4.24Å; F116-L120 HydrophobicContact CD1-CD1 4.05Å; F116-L120 HydrophobicContact CD1-CG 4.44Å; F116-L120 HydrophobicContact CE1-CD1 3.65Å; F116-L120 HydrophobicContact CE1-CD2 4.33Å; F116-L120 HydrophobicContact CE1-CG 4.03Å; F116-L120 HydrophobicContact CE2-CD2 4.47Å; F116-L120 HydrophobicContact CE2-CG 4.43Å; F116-L120 HydrophobicContact CZ-CD1 4.11Å; F116-L120 HydrophobicContact CZ-CD2 3.93Å; F116-L120 HydrophobicContact CZ-CG 4.01Å; F116-L120 WeakPolarHBondContact O-CG 3.48Å; F116-L120 PolarHBondContact O-N 2.98Å; K117-L120 WeakPolarHBondContact O-CB 3.31Å; K117-L120 PolarHBondContact O-N 2.91Å; L120-T122 PolarHBondContact O-N 2.99Å; L120-G124 CarbonylContact O-C 3.58Å; L120-S125 PolarHBondContact O-N 3.13Å; L120-Y137 HydrophobicContact CB-CD1 4.48Å; L120-Y137 HydrophobicContact CB-CE1 4.2Å; L120-Y137 HydrophobicContact CD1-CD1 4.39Å; L120-Y137 HydrophobicContact CD2-CD1 4.32Å; L120-Y137 HydrophobicContact CD2-CD2 4.24Å; L120-Y137 HydrophobicContact CD2-CE1 4.12Å; L120-Y137 HydrophobicContact CD2-CE2 4.03Å; L120-Y137 HydrophobicContact CD2-CG 4.39Å; L120-P140 HydrophobicContact CD1-CG 3.95Å
121E80.8Confident75.1Confident122 Ų12265.6 Ų65.657%0.5735%0.349SS*.Hα-helixtrans-69.5-18.6179.9-71.4177.5166.200113.5K117 L118 Y119K117-E121 WeakPolarHBondContact CE-OE1 3.29Å; K117-E121 IonicContact NZ-OE1 3.5Å; K117-E121 PolarHBondContact NZ-OE1 3.09Å; K117-E121 WeakPolarHBondContact O-CG 3.33Å; K117-E121 PolarHBondContact O-N 3.38Å; L118-E121 PolarHBondContact O-N 3.46Å; Y119-E121 PolarHBondContact O-N 3.44Å
122T80.4Confident74.3Confident83 Ų8369 Ų6951%0.50936%0.356SS..Hα-helixtrans-108.6-77-177.754.30000112.8L118 Y119 L120 S125L118-T122 HydrophobicContact CD1-CG2 4.49Å; L118-T122 WeakPolarHBondContact O-CB 3.47Å; L118-T122 WeakPolarHBondContact O-CG2 3.18Å; L118-T122 PolarHBondContact O-N 3.06Å; L118-T122 VanDerWaalsContact O-N 3.15Å; L118-T122 PolarHBondContact O-OG1 2.97Å; Y119-T122 PolarHBondContact O-N 3.09Å; Y119-T122 PolarHBondContact O-OG1 2.79Å; L120-T122 PolarHBondContact O-N 2.99Å; T122-S125 PolarHBondContact O-OG 3.19Å
123R71.7Confident73.8Confident106 Ų10668.2 Ų68.240%0.435%0.348SS..THydrogen-bonded Turntrans-91.3-30.8-175.4-68.6-119.8-77.3155.9-6.9113.3E89 Y119 S125E89-R123 IonicContact OE1-CZ 3.57Å; E89-R123 VanDerWaalsContact OE1-CZ 3.29Å; E89-R123 IonicContact OE1-NE 2.65Å; E89-R123 IonicContact OE1-NH2 2.69Å; E89-R123 PolarHBondContact OE1-NH2 2.85Å; E89-R123 IonicContact OE2-CZ 3.52Å; E89-R123 VanDerWaalsContact OE2-CZ 3.3Å; E89-R123 IonicContact OE2-NH1 2.65Å; E89-R123 IonicContact OE2-NH2 2.63Å; E89-R123 PolarHBondContact OE2-NH2 3.46Å; Y119-R123 HydrophobicContact CD2-CB 4.2Å; Y119-R123 HydrophobicContact CE2-CB 3.91Å; Y119-R123 PolarHBondContact O-N 3.34Å; R123-S125 PolarHBondContact O-N 2.55Å
124G61.8Low73.3Confident0 Ų072 Ų720%037%0.368CS..G310 helixtrans-66.9-20.7178.300000113.8Y119 L120 V126 H127 Y137Y119-G124 PolarHBondContact O-N 3.3Å; L120-G124 CarbonylContact O-C 3.58Å; G124-V126 PolarHBondContact O-N 3.13Å; G124-V126 VanDerWaalsContact O-N 3.08Å; G124-H127 WeakPolarHBondContact O-CA 3.17Å; G124-H127 VanDerWaalsContact O-CB 3.32Å; G124-H127 WeakPolarHBondContact O-CB 3.17Å; G124-H127 PolarHBondContact O-N 3.07Å; G124-Y137 PolarHBondContact O-OH 3.1Å
125S63.6Low73Confident61 Ų6167.3 Ų67.343%0.42735%0.353SS..G310 helixtrans-52-31.5179.163.40000114.3L120 T122 R123 H127 C128 Y137L120-S125 PolarHBondContact O-N 3.13Å; T122-S125 PolarHBondContact O-OG 3.19Å; R123-S125 PolarHBondContact O-N 2.55Å; S125-H127 PolarHBondContact O-N 2.94Å; S125-C128 VanDerWaalsContact O-CB 3.29Å; S125-C128 WeakPolarHBondContact O-CB 3.47Å; S125-C128 PolarHBondContact O-N 3.25Å; S125-Y137 WeakPolarHBondContact CA-OH 3.47Å; S125-Y137 PolarHBondContact N-OH 2.84Å
126V62.3Low72.9Confident90 Ų9064.8 Ų64.855%0.54534%0.34SS..G310 helixtrans-58.6-35.1173.5-176.10000111.5G124G124-V126 PolarHBondContact O-N 3.13Å; G124-V126 VanDerWaalsContact O-N 3.08Å
127H56.9Low72.6Confident13 Ų1367.2 Ų67.26%0.0635%0.35CS..G310 helixtrans-85.1-3.9-178.4-67.86.1000114.1L86 F90 G124 S125 Q129 N130 F133L86-H127 PolarHBondContact O-NE2 3.32Å; F90-H127 AromaticContact CD2-CD2 3.58Å; F90-H127 AromaticContact CG-CD2 3.81Å; G124-H127 WeakPolarHBondContact O-CA 3.17Å; G124-H127 VanDerWaalsContact O-CB 3.32Å; G124-H127 WeakPolarHBondContact O-CB 3.17Å; G124-H127 PolarHBondContact O-N 3.07Å; S125-H127 PolarHBondContact O-N 2.94Å; H127-Q129 PolarHBondContact O-N 2.92Å; H127-Q129 VanDerWaalsContact O-N 3.09Å; H127-N130 PolarHBondContact O-N 3.18Å; H127-F133 HydrophobicContact CB-CD2 3.9Å; H127-F133 AromaticContact CD2-CD2 3.76Å; H127-F133 AromaticContact CD2-CE2 3.81Å; H127-F133 AromaticContact CG-CD2 3.99Å
128C57.4Low72.6Confident64 Ų6466.3 Ų66.343%0.43235%0.354SS..G310 helixtrans-62.5-15.2174.1-160.50000112.4S125 Y137S125-C128 VanDerWaalsContact O-CB 3.29Å; S125-C128 WeakPolarHBondContact O-CB 3.47Å; S125-C128 PolarHBondContact O-N 3.25Å; C128-Y137 HydrophobicContact CB-CE2 4.36Å; C128-Y137 WeakPolarHBondContact CB-OH 3.38Å; C128-Y137 PolarHBondContact N-OH 3.34Å
129Q58.7Low72.5Confident159 Ų15961.4 Ų61.474%0.74333%0.329SS*.G310 helixtrans-85-17.7173.8-58.9-178.115.100113.6H127H127-Q129 PolarHBondContact O-N 2.92Å; H127-Q129 VanDerWaalsContact O-N 3.09Å
130N64.5Low72.4Confident44 Ų4461.5 Ų61.524%0.23533%0.332CS..  trans-91.3111.2178.8-162.344.3000109.5H127 E132 F133H127-N130 PolarHBondContact O-N 3.18Å; N130-E132 PolarHBondContact ND2-OE2 3.43Å; N130-E132 PolarHBondContact O-N 3.08Å; N130-E132 VanDerWaalsContact O-N 3.16Å; N130-F133 HydrophobicContact CB-CD2 3.81Å; N130-F133 HydrophobicContact CB-CE2 4.33Å; N130-F133 VanDerWaalsContact ND2-CD2 3.33Å; N130-F133 WeakPolarHBondContact ND2-CD2 3.28Å; N130-F133 WeakPolarHBondContact ND2-CE2 3.4Å; N130-F133 PolarHBondContact O-N 2.85Å
131T67.2Low72.4Confident99 Ų9968.4 Ų68.461%0.60736%0.359SS*.Hα-helixtrans-55-36.7-173.750.30000112.9F133 L134T131-F133 VanDerWaalsContact C-N 3.28Å; T131-F133 PolarHBondContact O-N 3.31Å; T131-L134 WeakPolarHBondContact O-CB 3.26Å; T131-L134 PolarHBondContact O-N 3.26Å
132E68.3Low72.5Confident125 Ų12564.3 Ų64.358%0.58434%0.342SS*.Hα-helixtrans-55.5-36.2176.4-54.4174.9150.200113.6N130N130-E132 PolarHBondContact ND2-OE2 3.43Å; N130-E132 PolarHBondContact O-N 3.08Å; N130-E132 VanDerWaalsContact O-N 3.16Å
133F73.1Confident72.2Confident19 Ų1966.9 Ų66.98%0.08336%0.358CS..Hα-helixtrans-92.1-13.9-176.5-60.8-47.4000113.8Q87 F90 H127 N130 T131 A135 Y136Q87-F133 HydrophobicContact CB-CZ 4.46Å; Q87-F133 HydrophobicContact CG-CE2 3.99Å; Q87-F133 HydrophobicContact CG-CZ 4.13Å; F90-F133 AromaticContact CD1-CD1 3.75Å; F90-F133 HydrophobicContact CD1-CD1 3.75Å; F90-F133 AromaticContact CD1-CE1 3.95Å; F90-F133 HydrophobicContact CD1-CE1 3.95Å; F90-F133 HydrophobicContact CD1-CG 4.23Å; F90-F133 HydrophobicContact CE1-CB 4.17Å; F90-F133 AromaticContact CE1-CD1 3.61Å; F90-F133 HydrophobicContact CE1-CD1 3.61Å; F90-F133 HydrophobicContact CE1-CE1 4.27Å; F90-F133 HydrophobicContact CE1-CG 4.02Å; F90-F133 HydrophobicContact CE2-CB 4.42Å; F90-F133 HydrophobicContact CZ-CB 3.96Å; F90-F133 HydrophobicContact CZ-CD1 4.27Å; F90-F133 HydrophobicContact CZ-CG 4.24Å; H127-F133 HydrophobicContact CB-CD2 3.9Å; H127-F133 AromaticContact CD2-CD2 3.76Å; H127-F133 AromaticContact CD2-CE2 3.81Å; H127-F133 AromaticContact CG-CD2 3.99Å; N130-F133 HydrophobicContact CB-CD2 3.81Å; N130-F133 HydrophobicContact CB-CE2 4.33Å; N130-F133 VanDerWaalsContact ND2-CD2 3.33Å; N130-F133 WeakPolarHBondContact ND2-CD2 3.28Å; N130-F133 WeakPolarHBondContact ND2-CE2 3.4Å; N130-F133 PolarHBondContact O-N 2.85Å; T131-F133 VanDerWaalsContact C-N 3.28Å; T131-F133 PolarHBondContact O-N 3.31Å; F133-A135 PolarHBondContact O-N 3.13Å; F133-Y136 HydrophobicContact CD1-CD2 4.26Å; F133-Y136 HydrophobicContact CD1-CE2 4.28Å; F133-Y136 PolarHBondContact O-N 2.9Å
134L74.9Confident72.5Confident93 Ų9366.6 Ų66.649%0.48736%0.359SS..Hα-helixtrans-59.1-32.7-175.7-161.673000112.1T131 Y136 Y137T131-L134 WeakPolarHBondContact O-CB 3.26Å; T131-L134 PolarHBondContact O-N 3.26Å; L134-Y136 VanDerWaalsContact C-N 3.27Å; L134-Y136 PolarHBondContact O-N 3.23Å; L134-Y137 PolarHBondContact O-N 2.82Å
135A78.8Confident73.4Confident40 Ų4066.7 Ų66.733%0.33136%0.36SS..G310 helixtrans-62-29.3176.400000113.7F133 I150 Y151F133-A135 PolarHBondContact O-N 3.13Å; A135-I150 HydrophobicContact CB-CG2 4.1Å; A135-Y151 WeakPolarHBondContact O-CE1 3.37Å; A135-Y151 PolarHBondContact O-OH 3.04Å
136Y83.2Confident74.2Confident40 Ų4066.4 Ų66.416%0.15735%0.354CS..G310 helixtrans-84.6-10.7-178.8-51.3-68.3000113.3F90 L94 F133 L134 A138 L139 Y151 L154F90-Y136 AromaticContact CE1-CD2 3.87Å; F90-Y136 HydrophobicContact CE1-CD2 3.87Å; F90-Y136 HydrophobicContact CE1-CG 4.35Å; F90-Y136 HydrophobicContact CZ-CD2 4.26Å; L94-Y136 HydrophobicContact CD2-CD1 4.08Å; L94-Y136 HydrophobicContact CD2-CD2 4.34Å; L94-Y136 HydrophobicContact CD2-CE1 4.17Å; L94-Y136 HydrophobicContact CD2-CE2 4.44Å; L94-Y136 HydrophobicContact CD2-CG 4.18Å; F133-Y136 HydrophobicContact CD1-CD2 4.26Å; F133-Y136 HydrophobicContact CD1-CE2 4.28Å; F133-Y136 PolarHBondContact O-N 2.9Å; L134-Y136 VanDerWaalsContact C-N 3.27Å; L134-Y136 PolarHBondContact O-N 3.23Å; Y136-A138 PolarHBondContact O-N 2.9Å; Y136-L139 WeakPolarHBondContact O-CB 3.39Å; Y136-L139 PolarHBondContact O-N 3.37Å; Y136-Y151 AromaticContact CD1-CD1 3.74Å; Y136-Y151 HydrophobicContact CD1-CD1 3.74Å; Y136-Y151 AromaticContact CD1-CE1 3.73Å; Y136-Y151 HydrophobicContact CD1-CE1 3.73Å; Y136-Y151 AromaticContact CE1-CD1 3.84Å; Y136-Y151 HydrophobicContact CE1-CD1 3.84Å; Y136-Y151 HydrophobicContact CE1-CE1 4.15Å; Y136-L154 HydrophobicContact CD1-CD1 4.03Å; Y136-L154 HydrophobicContact CE1-CD1 3.76Å; Y136-L154 HydrophobicContact CE1-CD2 4.21Å; Y136-L154 HydrophobicContact CE1-CG 4.29Å
137Y82.2Confident75Confident54 Ų5468 Ų6821%0.21236%0.355CS..G310 helixtrans-64.8-23.6170.3-85.6-101.3000113L120 G124 S125 C128 L134 P140L120-Y137 HydrophobicContact CB-CD1 4.48Å; L120-Y137 HydrophobicContact CB-CE1 4.2Å; L120-Y137 HydrophobicContact CD1-CD1 4.39Å; L120-Y137 HydrophobicContact CD2-CD1 4.32Å; L120-Y137 HydrophobicContact CD2-CD2 4.24Å; L120-Y137 HydrophobicContact CD2-CE1 4.12Å; L120-Y137 HydrophobicContact CD2-CE2 4.03Å; L120-Y137 HydrophobicContact CD2-CG 4.39Å; G124-Y137 PolarHBondContact O-OH 3.1Å; S125-Y137 WeakPolarHBondContact CA-OH 3.47Å; S125-Y137 PolarHBondContact N-OH 2.84Å; C128-Y137 HydrophobicContact CB-CE2 4.36Å; C128-Y137 WeakPolarHBondContact CB-OH 3.38Å; C128-Y137 PolarHBondContact N-OH 3.34Å; L134-Y137 PolarHBondContact O-N 2.82Å; Y137-P140 WeakPolarHBondContact O-CD 3.29Å
138A84.1Confident76.2Confident47 Ų4770.3 Ų70.339%0.38837%0.366SS..G310 helixtrans-81.7-16.6172.700000113.2Y136 P140 Y141Y136-A138 PolarHBondContact O-N 2.9Å; A138-P140 VanDerWaalsContact C-CD 3.46Å; A138-Y141 PolarHBondContact O-N 3.5Å
139L84.6Confident77.2Confident1 Ų172.7 Ų72.71%0.00538%0.38CS..G310 helixtrans-53.8-40.6-175.1-171.465.6000113.5L94 L97 F116 Y136 Y141 V142 P145 Y151L94-L139 HydrophobicContact CD1-CD2 4.26Å; L97-L139 HydrophobicContact CD2-CD2 3.61Å; L97-L139 HydrophobicContact CD2-CG 4.29Å; F116-L139 HydrophobicContact CE1-CD2 4.19Å; Y136-L139 WeakPolarHBondContact O-CB 3.39Å; Y136-L139 PolarHBondContact O-N 3.37Å; L139-Y141 PolarHBondContact O-N 2.85Å; L139-V142 PolarHBondContact O-N 3.04Å; L139-P145 HydrophobicContact CD1-CB 3.59Å; L139-Y151 HydrophobicContact CD1-CD1 3.97Å; L139-Y151 HydrophobicContact CD1-CD2 3.47Å; L139-Y151 VanDerWaalsContact CD1-CD2 3.47Å; L139-Y151 HydrophobicContact CD1-CE1 4.2Å; L139-Y151 HydrophobicContact CD1-CE2 3.74Å; L139-Y151 HydrophobicContact CD1-CG 3.61Å
140P83.5Confident78.2Confident24 Ų2469.6 Ų69.616%0.15637%0.368CS..G310 helixtrans-63-12.5177.5-23.935.7000116.4M113 F116 K117 L120 Y137 A138M113-P140 HydrophobicContact CG-CB 4.07Å; M113-P140 HydrophobicContact SD-CB 4.47Å; F116-P140 HydrophobicContact CD1-CG 4.17Å; K117-P140 HydrophobicContact CB-CB 4.06Å; K117-P140 HydrophobicContact CB-CG 4.09Å; L120-P140 HydrophobicContact CD1-CG 3.95Å; Y137-P140 WeakPolarHBondContact O-CD 3.29Å; A138-P140 VanDerWaalsContact C-CD 3.46Å
141Y82.4Confident79.2Confident152 Ų15267.8 Ų67.860%0.59636%0.358SS*.G310 helixtrans-107.7-0.8-177.1-53.5-80.8000112.6K117 A138 L139K117-Y141 WeakPolarHBondContact CE-OH 3.35Å; K117-Y141 PolarHBondContact NZ-OH 2.91Å; A138-Y141 PolarHBondContact O-N 3.5Å; L139-Y141 PolarHBondContact O-N 2.85Å
142V82.2Confident79.9Confident36 Ų3667.9 Ų67.922%0.21835%0.351CS..  trans-94.4120.1-178.5175.20000110.7L139 K144 H148 Y151L139-V142 PolarHBondContact O-N 3.04Å; V142-K144 VanDerWaalsContact C-N 3.28Å; V142-K144 PolarHBondContact O-N 3.04Å; V142-H148 HydrophobicContact CG1-CB 4.38Å; V142-Y151 HydrophobicContact CB-CE2 4.38Å; V142-Y151 HydrophobicContact CG1-CE2 4.46Å; V142-Y151 HydrophobicContact CG2-CE2 3.97Å
143T75.6Confident80.7Confident137 Ų13767.3 Ų67.384%0.8435%0.349SS*.SBendtrans-67.9-23.7-174.752.80000114.4
144K78.4Confident81.3Confident101 Ų10166.5 Ų66.544%0.43935%0.345SS..  trans-144.179.1178.2-69-161.9-176.8-1740111.6V142 N146 E147V142-K144 VanDerWaalsContact C-N 3.28Å; V142-K144 PolarHBondContact O-N 3.04Å; K144-N146 VanDerWaalsContact C-N 3.25Å; K144-N146 PolarHBondContact O-N 3.06Å; K144-E147 HydrophobicContact CB-CB 4.29Å; K144-E147 HydrophobicContact CD-CB 4.45Å; K144-E147 HydrophobicContact CD-CG 4.28Å; K144-E147 WeakPolarHBondContact CD-OE1 3.41Å; K144-E147 WeakPolarHBondContact CD-OE2 3.37Å; K144-E147 IonicContact NZ-OE1 3.67Å; K144-E147 PolarHBondContact NZ-OE1 2.78Å; K144-E147 IonicContact NZ-OE2 2.77Å; K144-E147 PolarHBondContact NZ-OE2 2.93Å; K144-E147 PolarHBondContact O-N 3.28Å
145P80.3Confident81.9Confident2 Ų263.5 Ų63.51%0.01333%0.328CS..G310 helixtrans-63.2-30.8-178.826.3-35.4000113W101 M113 L139 E147 H148 Y151 F155W101-P145 HydrophobicContact CH2-CG 3.59Å; W101-P145 HydrophobicContact CZ2-CG 3.56Å; W101-P145 HydrophobicContact CZ3-CG 4.1Å; M113-P145 HydrophobicContact CE-CG 4.29Å; L139-P145 HydrophobicContact CD1-CB 3.59Å; P145-E147 VanDerWaalsContact C-N 3.31Å; P145-E147 PolarHBondContact O-N 2.56Å; P145-H148 WeakPolarHBondContact O-CB 3.35Å; P145-H148 PolarHBondContact O-N 3.16Å; P145-Y151 HydrophobicContact CB-CD2 4.32Å; P145-F155 HydrophobicContact CB-CE2 4.1Å; P145-F155 HydrophobicContact CB-CZ 3.91Å; P145-F155 HydrophobicContact CG-CZ 3.91Å
146N79.6Confident82.3Confident55 Ų5565.4 Ų65.429%0.29433%0.33SS..G310 helixtrans-66.9-25.9179.666.3-60000114.6K144 H152 F155K144-N146 VanDerWaalsContact C-N 3.25Å; K144-N146 PolarHBondContact O-N 3.06Å; N146-H152 PolarHBondContact O-ND1 2.68Å; N146-H152 VanDerWaalsContact O-ND1 3.09Å; N146-F155 HydrophobicContact CB-CD1 4.28Å; N146-F155 HydrophobicContact CB-CD2 4.23Å; N146-F155 HydrophobicContact CB-CE1 4.19Å; N146-F155 HydrophobicContact CB-CE2 4.15Å; N146-F155 HydrophobicContact CB-CG 4.3Å; N146-F155 HydrophobicContact CB-CZ 4.13Å
147E80.2Confident82.3Confident124 Ų12470.8 Ų70.858%0.57936%0.357SS*.G310 helixtrans-95.3-1.7176.5-74.4171.2-146.300112.4K144 P145K144-E147 HydrophobicContact CB-CB 4.29Å; K144-E147 HydrophobicContact CD-CB 4.45Å; K144-E147 HydrophobicContact CD-CG 4.28Å; K144-E147 WeakPolarHBondContact CD-OE1 3.41Å; K144-E147 WeakPolarHBondContact CD-OE2 3.37Å; K144-E147 IonicContact NZ-OE1 3.67Å; K144-E147 PolarHBondContact NZ-OE1 2.78Å; K144-E147 IonicContact NZ-OE2 2.77Å; K144-E147 PolarHBondContact NZ-OE2 2.93Å; K144-E147 PolarHBondContact O-N 3.28Å; P145-E147 VanDerWaalsContact C-N 3.31Å; P145-E147 PolarHBondContact O-N 2.56Å
148H81.1Confident82.5Confident60 Ų6072.8 Ų72.828%0.27838%0.375SS..  trans-93.1127.7-173.5-167.4-109.3000111.7V142 P145 I150 Y151 H152V142-H148 HydrophobicContact CG1-CB 4.38Å; P145-H148 WeakPolarHBondContact O-CB 3.35Å; P145-H148 PolarHBondContact O-N 3.16Å; H148-I150 PolarHBondContact O-N 3.12Å; H148-I150 VanDerWaalsContact O-N 3.08Å; H148-Y151 HydrophobicContact CB-CD2 3.81Å; H148-Y151 HydrophobicContact CB-CE2 4.49Å; H148-Y151 AromaticContact CE1-CE2 3.77Å; H148-Y151 AromaticContact CG-CD2 3.77Å; H148-Y151 AromaticContact ND1-CD2 3.17Å; H148-Y151 WeakPolarHBondContact ND1-CD2 3.24Å; H148-Y151 AromaticContact ND1-CE2 3.18Å; H148-Y151 WeakPolarHBondContact ND1-CE2 3.34Å; H148-Y151 AromaticContact ND1-CG 3.95Å; H148-Y151 AromaticContact ND1-CZ 3.99Å; H148-Y151 PolarHBondContact O-N 3.35Å; H148-H152 PolarHBondContact O-N 2.94Å
149P78.4Confident82.7Confident114 Ų11471.7 Ų71.774%0.7436%0.361SS*.THydrogen-bonded Turntrans-64.3-21.3-170.324.4-35000114.7
150I80.1Confident82.9Confident94 Ų9474.9 Ų74.948%0.48237%0.373SS..THydrogen-bonded Turntrans-79.5-27.1176.1-54.2-175.1000111.9A135 H148A135-I150 HydrophobicContact CB-CG2 4.1Å; H148-I150 PolarHBondContact O-N 3.12Å; H148-I150 VanDerWaalsContact O-N 3.08Å
151Y85.1Confident83Confident6 Ų678 Ų782%0.02439%0.388CS..THydrogen-bonded Turntrans-112.9-9.4-170.4-48.7-48.8000113.8A135 Y136 L139 V142 P145 H148 Q153 L154 F155A135-Y151 WeakPolarHBondContact O-CE1 3.37Å; A135-Y151 PolarHBondContact O-OH 3.04Å; Y136-Y151 AromaticContact CD1-CD1 3.74Å; Y136-Y151 HydrophobicContact CD1-CD1 3.74Å; Y136-Y151 AromaticContact CD1-CE1 3.73Å; Y136-Y151 HydrophobicContact CD1-CE1 3.73Å; Y136-Y151 AromaticContact CE1-CD1 3.84Å; Y136-Y151 HydrophobicContact CE1-CD1 3.84Å; Y136-Y151 HydrophobicContact CE1-CE1 4.15Å; L139-Y151 HydrophobicContact CD1-CD1 3.97Å; L139-Y151 HydrophobicContact CD1-CD2 3.47Å; L139-Y151 VanDerWaalsContact CD1-CD2 3.47Å; L139-Y151 HydrophobicContact CD1-CE1 4.2Å; L139-Y151 HydrophobicContact CD1-CE2 3.74Å; L139-Y151 HydrophobicContact CD1-CG 3.61Å; V142-Y151 HydrophobicContact CB-CE2 4.38Å; V142-Y151 HydrophobicContact CG1-CE2 4.46Å; V142-Y151 HydrophobicContact CG2-CE2 3.97Å; P145-Y151 HydrophobicContact CB-CD2 4.32Å; H148-Y151 HydrophobicContact CB-CD2 3.81Å; H148-Y151 HydrophobicContact CB-CE2 4.49Å; H148-Y151 AromaticContact CE1-CE2 3.77Å; H148-Y151 AromaticContact CG-CD2 3.77Å; H148-Y151 AromaticContact ND1-CD2 3.17Å; H148-Y151 WeakPolarHBondContact ND1-CD2 3.24Å; H148-Y151 AromaticContact ND1-CE2 3.18Å; H148-Y151 WeakPolarHBondContact ND1-CE2 3.34Å; H148-Y151 AromaticContact ND1-CG 3.95Å; H148-Y151 AromaticContact ND1-CZ 3.99Å; H148-Y151 PolarHBondContact O-N 3.35Å; Y151-Q153 PolarHBondContact O-N 3.46Å; Y151-L154 VanDerWaalsContact O-CB 3.31Å; Y151-L154 WeakPolarHBondContact O-CB 3.22Å; Y151-L154 WeakPolarHBondContact O-CG 3.16Å; Y151-L154 PolarHBondContact O-N 2.87Å; Y151-F155 VanDerWaalsContact O-CD2 3.29Å; Y151-F155 WeakPolarHBondContact O-CD2 3.47Å; Y151-F155 WeakPolarHBondContact O-CE2 3.32Å
152H82.3Confident83.3Confident102 Ų10272.8 Ų72.847%0.47237%0.374SS..G310 helixtrans-51.7-41.1-178.9-170.667.1000113N146 H148 L154 F155N146-H152 PolarHBondContact O-ND1 2.68Å; N146-H152 VanDerWaalsContact O-ND1 3.09Å; H148-H152 PolarHBondContact O-N 2.94Å; H152-L154 PolarHBondContact O-N 3.14Å; H152-L154 VanDerWaalsContact O-N 3.17Å; H152-F155 PolarHBondContact O-N 2.99Å
153Q84.8Confident83.6Confident113 Ų11371 Ų7153%0.52836%0.363SS..G310 helixtrans-56-32.1177.9-168.5179.717.300113.3Y151 F155 E156 W159Y151-Q153 PolarHBondContact O-N 3.46Å; Q153-F155 PolarHBondContact O-N 3.31Å; Q153-E156 WeakPolarHBondContact O-CB 3.32Å; Q153-E156 PolarHBondContact O-N 3.37Å; Q153-E156 VanDerWaalsContact O-N 3.13Å; Q153-W159 WeakPolarHBondContact O-CB 3.23Å
154L85.8Confident84.2Confident2 Ų265.1 Ų65.11%0.0133%0.327CS..G310 helixtrans-68.5-14.4179.1-53.8-178.4000113.5L94 T98 Y136 Y151 H152 W159L94-L154 HydrophobicContact CD2-CD1 3.74Å; L94-L154 HydrophobicContact CD2-CD2 3.76Å; L94-L154 HydrophobicContact CD2-CG 4.4Å; L94-L154 HydrophobicContact CG-CD1 3.98Å; T98-L154 WeakPolarHBondContact CB-O 3.41Å; T98-L154 HydrophobicContact CG2-CB 3.77Å; T98-L154 HydrophobicContact CG2-CD1 4.26Å; T98-L154 PolarHBondContact OG1-O 3.28Å; Y136-L154 HydrophobicContact CD1-CD1 4.03Å; Y136-L154 HydrophobicContact CE1-CD1 3.76Å; Y136-L154 HydrophobicContact CE1-CD2 4.21Å; Y136-L154 HydrophobicContact CE1-CG 4.29Å; Y151-L154 VanDerWaalsContact O-CB 3.31Å; Y151-L154 WeakPolarHBondContact O-CB 3.22Å; Y151-L154 WeakPolarHBondContact O-CG 3.16Å; Y151-L154 PolarHBondContact O-N 2.87Å; H152-L154 PolarHBondContact O-N 3.14Å; H152-L154 VanDerWaalsContact O-N 3.17Å; L154-W159 HydrophobicContact CB-CE3 4.48Å; L154-W159 HydrophobicContact CD2-CD2 4.09Å; L154-W159 HydrophobicContact CD2-CH2 4.41Å; L154-W159 HydrophobicContact CD2-CZ2 3.86Å
155F87.3Confident84.6Confident30 Ų3065 Ų6513%0.13233%0.331CS..G310 helixtrans-98.5-6.4177-59.2-87.1000112.2T98 W101 P145 N146 Y151 H152 Q153 R160T98-F155 HydrophobicContact CG2-CD1 4.37Å; T98-F155 HydrophobicContact CG2-CE1 3.8Å; T98-F155 HydrophobicContact CG2-CE2 4.13Å; T98-F155 HydrophobicContact CG2-CZ 3.66Å; W101-F155 HydrophobicContact CB-CD1 4.25Å; W101-F155 HydrophobicContact CB-CE1 3.76Å; W101-F155 AromaticContact CD1-CE1 3.91Å; W101-F155 HydrophobicContact CD2-CE1 4.07Å; W101-F155 HydrophobicContact CG-CD1 4.39Å; W101-F155 AromaticContact CG-CE1 3.63Å; W101-F155 HydrophobicContact CG-CE1 3.63Å; P145-F155 HydrophobicContact CB-CE2 4.1Å; P145-F155 HydrophobicContact CB-CZ 3.91Å; P145-F155 HydrophobicContact CG-CZ 3.91Å; N146-F155 HydrophobicContact CB-CD1 4.28Å; N146-F155 HydrophobicContact CB-CD2 4.23Å; N146-F155 HydrophobicContact CB-CE1 4.19Å; N146-F155 HydrophobicContact CB-CE2 4.15Å; N146-F155 HydrophobicContact CB-CG 4.3Å; N146-F155 HydrophobicContact CB-CZ 4.13Å; Y151-F155 VanDerWaalsContact O-CD2 3.29Å; Y151-F155 WeakPolarHBondContact O-CD2 3.47Å; Y151-F155 WeakPolarHBondContact O-CE2 3.32Å; H152-F155 PolarHBondContact O-N 2.99Å; Q153-F155 PolarHBondContact O-N 3.31Å; F155-R160 PolarHBondContact O-NH2 3.48Å
156E86.2Confident84.9Confident80 Ų8069.5 Ų69.537%0.37435%0.347SS..SBendtrans-70154.2173.6-62.3-178.8-160.500111.7Q153 T158 R160Q153-E156 WeakPolarHBondContact O-CB 3.32Å; Q153-E156 PolarHBondContact O-N 3.37Å; Q153-E156 VanDerWaalsContact O-N 3.13Å; E156-T158 WeakPolarHBondContact CB-OG1 3.24Å; E156-T158 PolarHBondContact OE2-OG1 2.88Å; E156-R160 WeakPolarHBondContact O-CG 3.24Å; E156-R160 PolarHBondContact O-N 2.85Å; E156-R160 PolarHBondContact O-NE 3.4Å
157E84.5Confident85.3Confident153 Ų15366.9 Ų66.972%0.71533%0.333SS*.Hα-helixtrans-75.5-34.6175.6-165163.6-144.400111.2W159 R160 D161E157-W159 PolarHBondContact O-N 3.38Å; E157-R160 WeakPolarHBondContact O-CB 3.42Å; E157-R160 PolarHBondContact O-N 2.86Å; E157-D161 PolarHBondContact O-N 3.28Å
158T85.3Confident85.6Confident96 Ų9662.4 Ų62.459%0.58932%0.315SS*.Hα-helixtrans-52.3-49.3171.851.30000112.7E156 S162E156-T158 WeakPolarHBondContact CB-OG1 3.24Å; E156-T158 PolarHBondContact OE2-OG1 2.88Å; T158-S162 PolarHBondContact O-N 2.9Å; T158-S162 VanDerWaalsContact O-N 3.13Å
159W89.8Confident85.7Confident24 Ų2466 Ų669%0.09133%0.33CS..Hα-helixtrans-67.4-42178.1178.885.3000111.1L94 F95 Q153 L154 E157 S162 V163L94-W159 HydrophobicContact CB-CH2 3.93Å; L94-W159 HydrophobicContact CB-CZ2 4.22Å; L94-W159 HydrophobicContact CD2-CZ2 4.41Å; F95-W159 HydrophobicContact CB-CH2 4.02Å; F95-W159 HydrophobicContact CB-CZ3 4.17Å; F95-W159 HydrophobicContact CD2-CZ3 4.22Å; Q153-W159 WeakPolarHBondContact O-CB 3.23Å; L154-W159 HydrophobicContact CB-CE3 4.48Å; L154-W159 HydrophobicContact CD2-CD2 4.09Å; L154-W159 HydrophobicContact CD2-CH2 4.41Å; L154-W159 HydrophobicContact CD2-CZ2 3.86Å; E157-W159 PolarHBondContact O-N 3.38Å; W159-S162 WeakPolarHBondContact O-CA 3.46Å; W159-S162 VanDerWaalsContact O-CB 3.26Å; W159-S162 WeakPolarHBondContact O-CB 3.32Å; W159-S162 PolarHBondContact O-N 2.64Å; W159-S162 VanDerWaalsContact O-N 3.09Å; W159-S162 PolarHBondContact O-OG 3.33Å; W159-V163 HydrophobicContact CD2-CG2 4.25Å; W159-V163 HydrophobicContact CE3-CG2 4.32Å; W159-V163 HydrophobicContact CH2-CG2 3.64Å; W159-V163 HydrophobicContact CZ2-CG2 3.57Å; W159-V163 HydrophobicContact CZ3-CG2 4.04Å; W159-V163 PolarHBondContact O-N 2.89Å; W159-V163 VanDerWaalsContact O-N 3.17Å
160R87.3Confident86.1Confident67 Ų6761.3 Ų61.325%0.25330%0.298SS..Hα-helixtrans-60.9-46.9177.8-77.7-174-96.3-174.2-8.3112.5F95 A99 F155 E156 E157 S162 V163 V164F95-R160 HydrophobicContact CD2-CB 4.23Å; F95-R160 HydrophobicContact CD2-CG 4Å; F95-R160 HydrophobicContact CE2-CB 3.69Å; F95-R160 HydrophobicContact CE2-CG 3.78Å; A99-R160 PolarHBondContact O-NH1 2.87Å; F155-R160 PolarHBondContact O-NH2 3.48Å; E156-R160 WeakPolarHBondContact O-CG 3.24Å; E156-R160 PolarHBondContact O-N 2.85Å; E156-R160 PolarHBondContact O-NE 3.4Å; E157-R160 WeakPolarHBondContact O-CB 3.42Å; E157-R160 PolarHBondContact O-N 2.86Å; R160-S162 PolarHBondContact O-N 3.46Å; R160-V163 PolarHBondContact O-N 2.93Å; R160-V163 VanDerWaalsContact O-N 3.11Å; R160-V164 PolarHBondContact O-N 3.45Å; R160-V164 VanDerWaalsContact O-N 3.13Å
161D86Confident86.3Confident91 Ų9156.9 Ų56.949%0.48728%0.275SS..Hα-helixtrans-62.9-31.3173.8-87.6-24.7000112.2E157 V163 V164 L165E157-D161 PolarHBondContact O-N 3.28Å; D161-V163 VanDerWaalsContact C-N 3.33Å; D161-V163 PolarHBondContact O-N 3.41Å; D161-V164 PolarHBondContact O-N 2.91Å; D161-L165 VanDerWaalsContact O-CB 3.25Å; D161-L165 WeakPolarHBondContact O-CB 3.34Å; D161-L165 PolarHBondContact O-N 3.11Å
162S88.8Confident86Confident41 Ų4160.2 Ų60.229%0.28729%0.293SS..Hα-helixtrans-62.9-36.4172.992.80000112.9T158 W159 R160 R166T158-S162 PolarHBondContact O-N 2.9Å; T158-S162 VanDerWaalsContact O-N 3.13Å; W159-S162 WeakPolarHBondContact O-CA 3.46Å; W159-S162 VanDerWaalsContact O-CB 3.26Å; W159-S162 WeakPolarHBondContact O-CB 3.32Å; W159-S162 PolarHBondContact O-N 2.64Å; W159-S162 VanDerWaalsContact O-N 3.09Å; W159-S162 PolarHBondContact O-OG 3.33Å; R160-S162 PolarHBondContact O-N 3.46Å; S162-R166 WeakPolarHBondContact O-CB 3.43Å; S162-R166 VanDerWaalsContact O-CG 3.24Å; S162-R166 WeakPolarHBondContact O-CG 3.28Å; S162-R166 PolarHBondContact O-N 3.38Å; S162-R166 PolarHBondContact O-NE 3.34Å
163V88.1Confident85.8Confident0 Ų058 Ų580%029%0.29CS..Hα-helixtrans-70.4-46.4176.3-177.40000109.9D91 I92 F95 W159 R160 D161 L165 R166 L167D91-V163 HydrophobicContact CB-CG1 4.3Å; D91-V163 HydrophobicContact CB-CG2 4.33Å; I92-V163 HydrophobicContact CG1-CG1 4.04Å; F95-V163 HydrophobicContact CB-CG1 4.24Å; F95-V163 HydrophobicContact CD2-CB 3.89Å; F95-V163 HydrophobicContact CD2-CG1 4.12Å; F95-V163 HydrophobicContact CD2-CG2 4.19Å; F95-V163 HydrophobicContact CG-CG1 4.43Å; W159-V163 HydrophobicContact CD2-CG2 4.25Å; W159-V163 HydrophobicContact CE3-CG2 4.32Å; W159-V163 HydrophobicContact CH2-CG2 3.64Å; W159-V163 HydrophobicContact CZ2-CG2 3.57Å; W159-V163 HydrophobicContact CZ3-CG2 4.04Å; W159-V163 PolarHBondContact O-N 2.89Å; W159-V163 VanDerWaalsContact O-N 3.17Å; R160-V163 PolarHBondContact O-N 2.93Å; R160-V163 VanDerWaalsContact O-N 3.11Å; D161-V163 VanDerWaalsContact C-N 3.33Å; D161-V163 PolarHBondContact O-N 3.41Å; V163-L165 VanDerWaalsContact C-N 3.31Å; V163-L165 PolarHBondContact O-N 2.88Å; V163-R166 PolarHBondContact O-N 3.21Å; V163-L167 WeakPolarHBondContact O-CB 3.34Å; V163-L167 PolarHBondContact O-N 3.13Å
164V89.4Confident85.5Confident13 Ų1354.2 Ų54.28%0.07927%0.274CS..Hα-helixtrans-59.4-42176.9178.50000111V56 L59 F95 R160 D161 S168V56-V164 HydrophobicContact CG1-CG1 4.08Å; L59-V164 HydrophobicContact CD2-CG2 4.01Å; F95-V164 HydrophobicContact CE2-CG2 4.13Å; F95-V164 HydrophobicContact CZ-CG2 4.37Å; R160-V164 PolarHBondContact O-N 3.45Å; R160-V164 VanDerWaalsContact O-N 3.13Å; D161-V164 PolarHBondContact O-N 2.91Å; V164-S168 WeakPolarHBondContact O-CB 3.48Å; V164-S168 PolarHBondContact O-N 3.39Å
165L86.6Confident84.9Confident99 Ų9956.1 Ų56.152%0.51828%0.284SS..Hα-helixtrans-68.3-41.8177.5-177.262.3000112.4D161 V163 S168 K169D161-L165 VanDerWaalsContact O-CB 3.25Å; D161-L165 WeakPolarHBondContact O-CB 3.34Å; D161-L165 PolarHBondContact O-N 3.11Å; V163-L165 VanDerWaalsContact C-N 3.31Å; V163-L165 PolarHBondContact O-N 2.88Å; L165-S168 PolarHBondContact O-N 3.26Å; L165-K169 WeakPolarHBondContact O-CB 3.43Å; L165-K169 WeakPolarHBondContact O-CG 3.19Å; L165-K169 PolarHBondContact O-N 3.39Å
166R86.5Confident83.7Confident96 Ų9661.5 Ų61.536%0.36231%0.309SS..Hα-helixtrans-63.4-45.7175.7-77.9-176.7-72.1155.5-0.2111.4L88 D91 S162 V163 K169 Y170L88-R166 HydrophobicContact CD1-CB 4.08Å; D91-R166 VanDerWaalsContact CG-NH2 3.31Å; D91-R166 IonicContact OD1-CZ 2.77Å; D91-R166 IonicContact OD1-NH1 3.23Å; D91-R166 PolarHBondContact OD1-NH1 2.79Å; D91-R166 VanDerWaalsContact OD1-NH1 3.08Å; D91-R166 IonicContact OD1-NH2 3.7Å; D91-R166 PolarHBondContact OD1-NH2 2.78Å; D91-R166 IonicContact OD2-CZ 3.37Å; D91-R166 IonicContact OD2-NH1 2.75Å; D91-R166 PolarHBondContact OD2-NH1 2.82Å; D91-R166 IonicContact OD2-NH2 3.88Å; S162-R166 WeakPolarHBondContact O-CB 3.43Å; S162-R166 VanDerWaalsContact O-CG 3.24Å; S162-R166 WeakPolarHBondContact O-CG 3.28Å; S162-R166 PolarHBondContact O-N 3.38Å; S162-R166 PolarHBondContact O-NE 3.34Å; V163-R166 PolarHBondContact O-N 3.21Å; R166-K169 PolarHBondContact O-N 2.89Å; R166-Y170 WeakPolarHBondContact O-CB 3.5Å; R166-Y170 PolarHBondContact O-N 3.17Å
167L88.4Confident81.8Confident0 Ų061.9 Ų61.90%032%0.319CS..Hα-helixtrans-60.2-47.1173.6177.861.5000111.9V55 L59 F67 L71 L88 I92 V163 K169 Y170 I171V55-L167 HydrophobicContact CG1-CD2 4.27Å; L59-L167 HydrophobicContact CD2-CD2 3.69Å; F67-L167 HydrophobicContact CE2-CD2 3.67Å; F67-L167 HydrophobicContact CZ-CD2 3.71Å; L71-L167 HydrophobicContact CD1-CD1 3.96Å; L88-L167 HydrophobicContact CD1-CB 4.25Å; L88-L167 HydrophobicContact CD2-CD1 4.02Å; I92-L167 HydrophobicContact CD1-CD1 4.1Å; I92-L167 HydrophobicContact CD1-CD2 4.41Å; V163-L167 WeakPolarHBondContact O-CB 3.34Å; V163-L167 PolarHBondContact O-N 3.13Å; L167-K169 VanDerWaalsContact C-N 3.33Å; L167-K169 PolarHBondContact O-N 3.11Å; L167-Y170 PolarHBondContact O-N 3.29Å; L167-I171 HydrophobicContact CD1-CD1 3.7Å; L167-I171 HydrophobicContact CD1-CG1 3.95Å; L167-I171 HydrophobicContact CD2-CD1 4.44Å; L167-I171 HydrophobicContact CG-CD1 3.78Å; L167-I171 HydrophobicContact CG-CG1 4.39Å; L167-I171 WeakPolarHBondContact O-CG1 3.22Å; L167-I171 PolarHBondContact O-N 2.65Å
168S85.7Confident79.7Confident29 Ų2962.1 Ų62.120%0.20333%0.325CS..Hα-helixtrans-57.6-44.6178.7-175.30000111.9K52 V164 L165 D172K52-S168 WeakPolarHBondContact CE-O 3.36Å; K52-S168 WeakPolarHBondContact CE-OG 3.46Å; K52-S168 PolarHBondContact NZ-O 3.06Å; K52-S168 PolarHBondContact NZ-OG 3.38Å; V164-S168 WeakPolarHBondContact O-CB 3.48Å; V164-S168 PolarHBondContact O-N 3.39Å; L165-S168 PolarHBondContact O-N 3.26Å; S168-D172 PolarHBondContact O-N 3.24Å; S168-D172 VanDerWaalsContact O-N 3.08Å
169K83.4Confident77.9Confident135 Ų13564 Ų6459%0.58734%0.342SS*.Hα-helixtrans-67.5-38.7175.4-77.2-178.9174-179.10113.4L165 R166 L167 D172 S173L165-K169 WeakPolarHBondContact O-CB 3.43Å; L165-K169 WeakPolarHBondContact O-CG 3.19Å; L165-K169 PolarHBondContact O-N 3.39Å; R166-K169 PolarHBondContact O-N 2.89Å; L167-K169 VanDerWaalsContact C-N 3.33Å; L167-K169 PolarHBondContact O-N 3.11Å; K169-D172 PolarHBondContact O-N 3.13Å; K169-S173 PolarHBondContact O-N 3.44Å
170Y85.8Confident75.9Confident16 Ų1665.1 Ų65.16%0.06336%0.361CS..Hα-helixtrans-69.1-38.3178.2-168.7-87.2000111.6V75 E84 F85 L88 R166 L167 D172 S173 V174V75-Y170 HydrophobicContact CG1-CE1 4.25Å; E84-Y170 HydrophobicContact CB-CE2 4.02Å; F85-Y170 HydrophobicContact CB-CE1 4.33Å; F85-Y170 HydrophobicContact CD2-CD1 4.11Å; F85-Y170 AromaticContact CD2-CE1 3.54Å; F85-Y170 HydrophobicContact CD2-CE1 3.54Å; F85-Y170 HydrophobicContact CE2-CE1 4.37Å; F85-Y170 HydrophobicContact CG-CE1 4.4Å; L88-Y170 HydrophobicContact CD2-CD1 4.08Å; L88-Y170 HydrophobicContact CD2-CD2 4.42Å; L88-Y170 HydrophobicContact CD2-CG 3.76Å; R166-Y170 WeakPolarHBondContact O-CB 3.5Å; R166-Y170 PolarHBondContact O-N 3.17Å; L167-Y170 PolarHBondContact O-N 3.29Å; Y170-D172 VanDerWaalsContact C-N 3.32Å; Y170-D172 PolarHBondContact O-N 2.76Å; Y170-S173 PolarHBondContact O-N 3.22Å; Y170-S173 PolarHBondContact O-OG 3.44Å; Y170-V174 HydrophobicContact CD1-CG2 4.04Å; Y170-V174 HydrophobicContact CE1-CG2 3.49Å; Y170-V174 VanDerWaalsContact CE1-CG2 3.49Å; Y170-V174 WeakPolarHBondContact O-CG2 3.26Å; Y170-V174 PolarHBondContact O-N 3.19Å; Y170-V174 VanDerWaalsContact O-N 3.11Å
171I84.3Confident74.3Confident1 Ų172 Ų721%0.00539%0.393CS..Hα-helixtrans-63.7-39.6171.7-66.5170000110.3K52 V55 L71 L74 L167 S173 V174 I175K52-I171 HydrophobicContact CB-CG2 3.81Å; K52-I171 HydrophobicContact CD-CG2 3.97Å; K52-I171 HydrophobicContact CG-CB 4.29Å; K52-I171 HydrophobicContact CG-CG2 3.63Å; V55-I171 HydrophobicContact CB-CD1 4.17Å; V55-I171 HydrophobicContact CG1-CD1 3.66Å; L71-I171 HydrophobicContact CD1-CD1 4.35Å; L71-I171 HydrophobicContact CD1-CG1 4.39Å; L74-I171 HydrophobicContact CD1-CG2 4.09Å; L167-I171 HydrophobicContact CD1-CD1 3.7Å; L167-I171 HydrophobicContact CD1-CG1 3.95Å; L167-I171 HydrophobicContact CD2-CD1 4.44Å; L167-I171 HydrophobicContact CG-CD1 3.78Å; L167-I171 HydrophobicContact CG-CG1 4.39Å; L167-I171 WeakPolarHBondContact O-CG1 3.22Å; L167-I171 PolarHBondContact O-N 2.65Å; I171-S173 PolarHBondContact O-N 3.24Å; I171-V174 PolarHBondContact O-N 3.25Å; I171-I175 HydrophobicContact CG2-CD1 3.31Å; I171-I175 HydrophobicContact CG2-CG1 3.95Å; I171-I175 VanDerWaalsContact O-CB 3.24Å; I171-I175 WeakPolarHBondContact O-CB 3.43Å; I171-I175 VanDerWaalsContact O-CG1 3.24Å; I171-I175 WeakPolarHBondContact O-CG1 3.43Å; I171-I175 PolarHBondContact O-N 3.14Å
172D79.3Confident72.9Confident76 Ų7672 Ų7241%0.40639%0.392SS..Hα-helixtrans-64.2-34.4174.5-70.9-32.3000113.7K52 S168 K169 Y170 Q176K52-D172 WeakPolarHBondContact CD-OD1 3.48Å; K52-D172 WeakPolarHBondContact CE-OD1 3.12Å; K52-D172 IonicContact NZ-OD1 2.75Å; K52-D172 PolarHBondContact NZ-OD1 3.32Å; K52-D172 IonicContact NZ-OD2 2.77Å; K52-D172 PolarHBondContact NZ-OD2 3.18Å; S168-D172 PolarHBondContact O-N 3.24Å; S168-D172 VanDerWaalsContact O-N 3.08Å; K169-D172 PolarHBondContact O-N 3.13Å; Y170-D172 VanDerWaalsContact C-N 3.32Å; Y170-D172 PolarHBondContact O-N 2.76Å; D172-Q176 WeakPolarHBondContact O-CG 3.41Å; D172-Q176 PolarHBondContact O-N 3.1Å
173S79.3Confident71.5Confident56 Ų5674.1 Ų74.139%0.39241%0.405SS..Hα-helixtrans-72.3-35177.566.30000112.4K169 Y170 I171 Q176K169-S173 PolarHBondContact O-N 3.44Å; Y170-S173 PolarHBondContact O-N 3.22Å; Y170-S173 PolarHBondContact O-OG 3.44Å; I171-S173 PolarHBondContact O-N 3.24Å; S173-Q176 WeakPolarHBondContact O-CG 3.19Å
174V78.3Confident70.1Confident33 Ų3378.9 Ų78.920%0.244%0.437CS..Hα-helixtrans-78.9-35.4176.9175.80000112.6E79 Y170 I171 Q176E79-V174 HydrophobicContact CB-CG2 4.38Å; E79-V174 HydrophobicContact CG-CG1 4.35Å; E79-V174 HydrophobicContact CG-CG2 4.17Å; Y170-V174 HydrophobicContact CD1-CG2 4.04Å; Y170-V174 HydrophobicContact CE1-CG2 3.49Å; Y170-V174 VanDerWaalsContact CE1-CG2 3.49Å; Y170-V174 WeakPolarHBondContact O-CG2 3.26Å; Y170-V174 PolarHBondContact O-N 3.19Å; Y170-V174 VanDerWaalsContact O-N 3.11Å; I171-V174 PolarHBondContact O-N 3.25Å; V174-Q176 VanDerWaalsContact C-N 3.26Å; V174-Q176 PolarHBondContact O-N 2.98Å
175I72.1Confident68.8Low42 Ų4282.9 Ų82.922%0.21546%0.457CS..Hα-helixtrans-72-16.4178.3-73.9179.9000113D48 K52 L74 I171 P177D48-I175 HydrophobicContact CB-CD1 3.91Å; D48-I175 HydrophobicContact CB-CG1 4.22Å; D48-I175 HydrophobicContact CB-CG2 3.87Å; D48-I175 WeakPolarHBondContact O-CD1 3.09Å; K52-I175 HydrophobicContact CB-CD1 4.11Å; L74-I175 HydrophobicContact CD1-CD1 4.28Å; L74-I175 HydrophobicContact CD2-CD1 3.58Å; L74-I175 HydrophobicContact CD2-CG1 3.52Å; I171-I175 HydrophobicContact CG2-CD1 3.31Å; I171-I175 HydrophobicContact CG2-CG1 3.95Å; I171-I175 VanDerWaalsContact O-CB 3.24Å; I171-I175 WeakPolarHBondContact O-CB 3.43Å; I171-I175 VanDerWaalsContact O-CG1 3.24Å; I171-I175 WeakPolarHBondContact O-CG1 3.43Å; I171-I175 PolarHBondContact O-N 3.14Å; I175-P177 VanDerWaalsContact O-N 3.11Å
176Q62.8Low67.4Low143 Ų14381.9 Ų81.967%0.66845%0.452SS*.  trans-32.4110.7-162.8-86.6-163.532.900114.3D172 S173 V174 N178D172-Q176 WeakPolarHBondContact O-CG 3.41Å; D172-Q176 PolarHBondContact O-N 3.1Å; S173-Q176 WeakPolarHBondContact O-CG 3.19Å; V174-Q176 VanDerWaalsContact C-N 3.26Å; V174-Q176 PolarHBondContact O-N 2.98Å; Q176-N178 PolarHBondContact O-N 3.24Å
177P47.1Very low66.1Low89 Ų8980.4 Ų80.458%0.57845%0.451SS*.  trans-73.2116.7-158.326.5-35.3000112I175 S179I175-P177 VanDerWaalsContact O-N 3.11Å; P177-S179 PolarHBondContact O-N 3.38Å
178N39.8Very low64.8Low158 Ų15887 Ų8785%0.84549%0.486SS*.THydrogen-bonded Turntrans-53124166.6-82.6-62.5000110.3Q176 G180Q176-N178 PolarHBondContact O-N 3.24Å; N178-G180 PolarHBondContact O-N 3.11Å
179S47.4Very low63.5Low135 Ų13590.2 Ų90.294%0.94450%0.504SS*.THydrogen-bonded Turntrans73.30.1170.474.60000120.4P177P177-S179 PolarHBondContact O-N 3.38Å
180G48.3Very low62Low48 Ų4887.9 Ų87.950%0.49550%0.501SS..PPolyproline II helixtrans-96.3117.1177.700000114.8N178 I182N178-G180 PolarHBondContact O-N 3.11Å; G180-I182 PolarHBondContact O-N 2.77Å
181K53.4Low60.4Low211 Ų21191.4 Ų91.492%0.91752%0.521SS*.PPolyproline II helixtrans-70116.5164.5-93.2-171.3176.6-178.60109.5
182I57.1Low58.9Low92 Ų9294.7 Ų94.747%0.47254%0.543SS..PPolyproline II helixtrans-55.1127171.1-61172.8000109.1G180 C184 L186 N187G180-I182 PolarHBondContact O-N 2.77Å; I182-C184 PolarHBondContact O-N 2.96Å; I182-L186 HydrophobicContact CG2-CB 4.39Å; I182-L186 HydrophobicContact CG2-CD2 4.26Å; I182-N187 PolarHBondContact O-ND2 3.19Å
183P57.7Low58.1Low85 Ų8595.6 Ų95.655%0.55255%0.547SS*.PPolyproline II helixtrans-56.7136.7-179.6-26.735.1000112.4L185 L186 N187P183-L185 PolarHBondContact O-N 3.13Å; P183-L186 HydrophobicContact CB-CB 4.49Å; P183-L186 PolarHBondContact O-N 3.31Å; P183-N187 PolarHBondContact O-N 3.21Å; P183-N187 VanDerWaalsContact O-N 3.07Å
184C58.5Low57.3Low100 Ų10097.5 Ų97.568%0.67656%0.556SS**Hα-helixtrans-60.5-30.5-180-68.70000113I182 N187 L188I182-C184 PolarHBondContact O-N 2.96Å; C184-N187 CarbonylContact O-C 3.51Å; C184-N187 PolarHBondContact O-N 3.14Å; C184-L188 WeakPolarHBondContact O-CB 3.44Å; C184-L188 PolarHBondContact O-N 3.1Å
185L63.3Low56.7Low97 Ų97104.1 Ų104.151%0.50858%0.583SS.*Hα-helixtrans-62.5-42.5173.8-174.165.7000111.8V12 P183 L188 V189V12-L185 HydrophobicContact CG2-CD2 4.13Å; P183-L185 PolarHBondContact O-N 3.13Å; L185-L188 WeakPolarHBondContact O-CB 3.11Å; L185-L188 PolarHBondContact O-N 3.46Å; L185-L188 VanDerWaalsContact O-N 3.17Å; L185-V189 WeakPolarHBondContact O-CG2 3.34Å; L185-V189 PolarHBondContact O-N 3.29Å; L185-V189 VanDerWaalsContact O-N 3.08Å
186L57.9Low56.5Low78 Ų78108 Ų10841%0.40860%0.6SS.*Hα-helixtrans-66.2-45.1176-162.771.3000110.1I182 P183 L188 V189 T190I182-L186 HydrophobicContact CG2-CB 4.39Å; I182-L186 HydrophobicContact CG2-CD2 4.26Å; P183-L186 HydrophobicContact CB-CB 4.49Å; P183-L186 PolarHBondContact O-N 3.31Å; L186-L188 PolarHBondContact O-N 3.38Å; L186-V189 PolarHBondContact O-N 3.43Å; L186-V189 VanDerWaalsContact O-N 3.13Å; L186-T190 HydrophobicContact CD1-CG2 3.91Å; L186-T190 HydrophobicContact CG-CG2 3.99Å; L186-T190 WeakPolarHBondContact O-CB 3.45Å; L186-T190 PolarHBondContact O-N 2.58Å; L186-T190 PolarHBondContact O-OG1 2.77Å
187N59.1Low56.8Low64 Ų64103.4 Ų103.434%0.34258%0.58SS.*Hα-helixtrans-59.4-26.5172.5-79.5-49.9000113.7I182 P183 C184 N191I182-N187 PolarHBondContact O-ND2 3.19Å; P183-N187 PolarHBondContact O-N 3.21Å; P183-N187 VanDerWaalsContact O-N 3.07Å; C184-N187 CarbonylContact O-C 3.51Å; C184-N187 PolarHBondContact O-N 3.14Å; N187-N191 VanDerWaalsContact O-CB 3.26Å; N187-N191 WeakPolarHBondContact O-CB 3.38Å; N187-N191 PolarHBondContact O-N 3.33Å; N187-N191 PolarHBondContact O-ND2 2.92Å
188L59.4Low57.8Low138 Ų138102.7 Ų102.772%0.72357%0.566SS**Hα-helixtrans-78-33.9175.7-89.6159.9000112.7C184 L185 L186C184-L188 WeakPolarHBondContact O-CB 3.44Å; C184-L188 PolarHBondContact O-N 3.1Å; L185-L188 WeakPolarHBondContact O-CB 3.11Å; L185-L188 PolarHBondContact O-N 3.46Å; L185-L188 VanDerWaalsContact O-N 3.17Å; L186-L188 PolarHBondContact O-N 3.38Å
189V58.4Low59.6Low97 Ų9799.5 Ų99.559%0.58855%0.548SS*.Hα-helixtrans-88.3-31.8-179.11770000112.4L185 L186L185-V189 WeakPolarHBondContact O-CG2 3.34Å; L185-V189 PolarHBondContact O-N 3.29Å; L185-V189 VanDerWaalsContact O-N 3.08Å; L186-V189 PolarHBondContact O-N 3.43Å; L186-V189 VanDerWaalsContact O-N 3.13Å
190T53.3Low61.2Low87 Ų8798 Ų9853%0.53453%0.527SS..Hα-helixtrans-104.7-1-17774.60000114.5L186L186-T190 HydrophobicContact CD1-CG2 3.91Å; L186-T190 HydrophobicContact CG-CG2 3.99Å; L186-T190 WeakPolarHBondContact O-CB 3.45Å; L186-T190 PolarHBondContact O-N 2.58Å; L186-T190 PolarHBondContact O-OG1 2.77Å
191N52Low62.6Low90 Ų90100.9 Ų100.948%0.48152%0.523SS..SBendtrans-68129.9158-99.4-68.4000107.6N187 N193N187-N191 VanDerWaalsContact O-CB 3.26Å; N187-N191 WeakPolarHBondContact O-CB 3.38Å; N187-N191 PolarHBondContact O-N 3.33Å; N187-N191 PolarHBondContact O-ND2 2.92Å; N191-N193 PolarHBondContact O-N 2.87Å
192P53.4Low63.8Low70 Ų7093.2 Ų93.246%0.45549%0.491SS..  trans-57131.7160.828.2-33000107.2V194 D197P192-V194 PolarHBondContact O-N 3.38Å; P192-D197 HydrophobicContact CB-CB 4.21Å; P192-D197 WeakPolarHBondContact CB-OD1 2.96Å; P192-D197 HydrophobicContact CG-CB 4.31Å; P192-D197 WeakPolarHBondContact CG-OD1 3.39Å
193N60.9Low65.1Low94 Ų9493 Ų9350%0.50349%0.49SS..  trans-52.3114.8-176.3174.4-11.1000108.8N191 K195 Q196 D197N191-N193 PolarHBondContact O-N 2.87Å; N193-K195 CarbonylContact O-C 3.59Å; N193-K195 PolarHBondContact O-N 3.38Å; N193-K195 PolarHBondContact OD1-N 3.02Å; N193-Q196 HydrophobicContact CB-CB 4.05Å; N193-Q196 CarbonylContact O-C 3.57Å; N193-Q196 WeakPolarHBondContact O-CA 3.35Å; N193-Q196 WeakPolarHBondContact O-CB 3.34Å; N193-Q196 PolarHBondContact O-N 2.99Å; N193-D197 PolarHBondContact O-N 3.47Å
194V62.2Low66.4Low96 Ų9692.7 Ų92.758%0.58249%0.487SS*.Hα-helixtrans-57.1-27.5-166.3-177.90000112.4P192 R198P192-V194 PolarHBondContact O-N 3.38Å; V194-R198 VanDerWaalsContact O-CB 3.27Å; V194-R198 WeakPolarHBondContact O-CB 3.01Å; V194-R198 PolarHBondContact O-N 3.5Å
195K65.9Low67.4Low172 Ų17289.5 Ų89.575%0.74846%0.463SS*.Hα-helixtrans-69-43.1172.4-63.6-177177.9-176.50112.6N193 L199N193-K195 CarbonylContact O-C 3.59Å; N193-K195 PolarHBondContact O-N 3.38Å; N193-K195 PolarHBondContact OD1-N 3.02Å; K195-L199 VanDerWaalsContact O-CB 3.3Å; K195-L199 WeakPolarHBondContact O-CB 3.17Å; K195-L199 PolarHBondContact O-N 2.94Å
196Q68.3Low68.2Low123 Ų12387.9 Ų87.958%0.57545%0.453SS*.Hα-helixtrans-70.4-38.9176.1-173.7177.5-4.800111.4N193 L199 M200N193-Q196 HydrophobicContact CB-CB 4.05Å; N193-Q196 CarbonylContact O-C 3.57Å; N193-Q196 WeakPolarHBondContact O-CA 3.35Å; N193-Q196 WeakPolarHBondContact O-CB 3.34Å; N193-Q196 PolarHBondContact O-N 2.99Å; Q196-L199 PolarHBondContact O-N 2.71Å; Q196-M200 WeakPolarHBondContact O-CB 3.44Å; Q196-M200 WeakPolarHBondContact O-CG 3.46Å; Q196-M200 PolarHBondContact O-N 2.88Å
197D68.7Low69.4Low48 Ų4888.8 Ų88.826%0.25746%0.458SS..Hα-helixtrans-67.4-40.1177.5-148.571.3000111.3P192 N193 R201P192-D197 HydrophobicContact CB-CB 4.21Å; P192-D197 WeakPolarHBondContact CB-OD1 2.96Å; P192-D197 HydrophobicContact CG-CB 4.31Å; P192-D197 WeakPolarHBondContact CG-OD1 3.39Å; N193-D197 PolarHBondContact O-N 3.47Å; D197-R201 VanDerWaalsContact O-CG 3.29Å; D197-R201 WeakPolarHBondContact O-CG 3.4Å; D197-R201 PolarHBondContact O-N 3.41Å; D197-R201 VanDerWaalsContact O-N 3.07Å; D197-R201 IonicContact OD2-CZ 2.91Å; D197-R201 IonicContact OD2-NE 2.74Å; D197-R201 PolarHBondContact OD2-NE 2.99Å; D197-R201 IonicContact OD2-NH2 2.74Å; D197-R201 PolarHBondContact OD2-NH2 2.83Å
198R69.4Low70.4Confident74 Ų7488.3 Ų88.328%0.27946%0.46SS..Hα-helixtrans-60.7-49.4168.5-178.2-169.9-179.31770.5111.8V194 M200 R201 Q202 D379 T382V194-R198 VanDerWaalsContact O-CB 3.27Å; V194-R198 WeakPolarHBondContact O-CB 3.01Å; V194-R198 PolarHBondContact O-N 3.5Å; R198-M200 VanDerWaalsContact C-N 3.32Å; R198-M200 PolarHBondContact O-N 2.64Å; R198-R201 PolarHBondContact O-N 3.05Å; R198-Q202 HydrophobicContact CG-CG 4.48Å; R198-Q202 WeakPolarHBondContact O-CG 3.46Å; R198-Q202 PolarHBondContact O-N 2.96Å; R198-D379 IonicContact CZ-OD1 3.5Å; R198-D379 IonicContact NH2-OD1 3.56Å; R198-D379 PolarHBondContact NH2-OD1 3.4Å; R198-D379 IonicContact NH2-OD2 3.06Å; R198-T382 HydrophobicContact CG-CG2 4.33Å; R198-T382 VanDerWaalsContact CZ-CG2 3.43Å; R198-T382 VanDerWaalsContact NE-CG2 3.32Å
199L77.8Confident71.1Confident90 Ų9082.8 Ų82.847%0.47143%0.431SS..Hα-helixtrans-61.5-40.6-179.7-179.761.9000111.6K195 Q196 Q202 L203K195-L199 VanDerWaalsContact O-CB 3.3Å; K195-L199 WeakPolarHBondContact O-CB 3.17Å; K195-L199 PolarHBondContact O-N 2.94Å; Q196-L199 PolarHBondContact O-N 2.71Å; L199-Q202 PolarHBondContact O-N 3.49Å; L199-L203 HydrophobicContact CD1-CD1 4.13Å; L199-L203 HydrophobicContact CD1-CG 4.17Å; L199-L203 HydrophobicContact CG-CD1 3.93Å; L199-L203 HydrophobicContact CG-CG 4.4Å; L199-L203 WeakPolarHBondContact O-CB 3.3Å; L199-L203 VanDerWaalsContact O-CG 3.29Å; L199-L203 WeakPolarHBondContact O-CG 3.44Å; L199-L203 PolarHBondContact O-N 3.36Å
200M79.5Confident72.2Confident104 Ų10479.8 Ų79.851%0.51242%0.416SS..Hα-helixtrans-60.4-46.3173.3-77.9-59.5-56.800111.4Q196 R198 Q202 L203 T204Q196-M200 WeakPolarHBondContact O-CB 3.44Å; Q196-M200 WeakPolarHBondContact O-CG 3.46Å; Q196-M200 PolarHBondContact O-N 2.88Å; R198-M200 VanDerWaalsContact C-N 3.32Å; R198-M200 PolarHBondContact O-N 2.64Å; M200-Q202 PolarHBondContact O-N 3.25Å; M200-L203 PolarHBondContact O-N 2.94Å; M200-T204 WeakPolarHBondContact O-CB 3.46Å; M200-T204 PolarHBondContact O-N 2.88Å; M200-T204 PolarHBondContact O-OG1 2.97Å
201R79.3Confident73.6Confident109 Ų10980.8 Ų80.841%0.41142%0.415SS..Hα-helixtrans-60.5-43.6174.9-66.2168.7-158.5-161.20.5111.9D197 R198 T204 N205 T381D197-R201 VanDerWaalsContact O-CG 3.29Å; D197-R201 WeakPolarHBondContact O-CG 3.4Å; D197-R201 PolarHBondContact O-N 3.41Å; D197-R201 VanDerWaalsContact O-N 3.07Å; D197-R201 IonicContact OD2-CZ 2.91Å; D197-R201 IonicContact OD2-NE 2.74Å; D197-R201 PolarHBondContact OD2-NE 2.99Å; D197-R201 IonicContact OD2-NH2 2.74Å; D197-R201 PolarHBondContact OD2-NH2 2.83Å; R198-R201 PolarHBondContact O-N 3.05Å; R201-T204 PolarHBondContact O-N 3.06Å; R201-N205 VanDerWaalsContact O-CB 3.27Å; R201-N205 WeakPolarHBondContact O-CB 3.31Å; R201-N205 PolarHBondContact O-N 3.24Å; R201-N205 PolarHBondContact O-OD1 3.3Å; R201-T381 HydrophobicContact CB-CG2 4.08Å
202Q78.7Confident74.9Confident49 Ų4979.9 Ų79.923%0.22941%0.406CS..Hα-helixtrans-61.7-46177.1-71.9177.4-42.800111.5R198 L199 M200 N205 E206 T381R198-Q202 HydrophobicContact CG-CG 4.48Å; R198-Q202 WeakPolarHBondContact O-CG 3.46Å; R198-Q202 PolarHBondContact O-N 2.96Å; L199-Q202 PolarHBondContact O-N 3.49Å; M200-Q202 PolarHBondContact O-N 3.25Å; Q202-N205 PolarHBondContact O-N 3.35Å; Q202-E206 WeakPolarHBondContact O-CB 3.39Å; Q202-E206 PolarHBondContact O-N 3.05Å; Q202-T381 HydrophobicContact CG-CG2 3.65Å; Q202-T381 WeakPolarHBondContact CG-OG1 3.4Å; Q202-T381 PolarHBondContact NE2-OG1 3.47Å
203L83.6Confident76.1Confident87 Ų8779.8 Ų79.846%0.45540%0.397SS..Hα-helixtrans-67.4-40.8177.8-70.6170.8000112.9L199 M200 N205 E206 L207L199-L203 HydrophobicContact CD1-CD1 4.13Å; L199-L203 HydrophobicContact CD1-CG 4.17Å; L199-L203 HydrophobicContact CG-CD1 3.93Å; L199-L203 HydrophobicContact CG-CG 4.4Å; L199-L203 WeakPolarHBondContact O-CB 3.3Å; L199-L203 VanDerWaalsContact O-CG 3.29Å; L199-L203 WeakPolarHBondContact O-CG 3.44Å; L199-L203 PolarHBondContact O-N 3.36Å; M200-L203 PolarHBondContact O-N 2.94Å; L203-N205 VanDerWaalsContact C-N 3.3Å; L203-N205 PolarHBondContact O-N 3.02Å; L203-E206 PolarHBondContact O-N 3.07Å; L203-L207 VanDerWaalsContact O-CB 3.26Å; L203-L207 WeakPolarHBondContact O-CB 3.37Å; L203-L207 PolarHBondContact O-N 3.17Å
204T84.8Confident77Confident79 Ų7978.1 Ų78.149%0.48540%0.397SS..Hα-helixtrans-62.6-39.1174.3-59.80000111.2M200 R201 S208M200-T204 WeakPolarHBondContact O-CB 3.46Å; M200-T204 PolarHBondContact O-N 2.88Å; M200-T204 PolarHBondContact O-OG1 2.97Å; R201-T204 PolarHBondContact O-N 3.06Å; T204-S208 WeakPolarHBondContact O-CB 3.31Å; T204-S208 PolarHBondContact O-N 2.81Å
205N79.1Confident77.9Confident34 Ų3477.4 Ų77.418%0.18239%0.392CS..Hα-helixtrans-71.3-39.5177.4-69.90.6000112.5R201 Q202 L203 D209 Q430R201-N205 VanDerWaalsContact O-CB 3.27Å; R201-N205 WeakPolarHBondContact O-CB 3.31Å; R201-N205 PolarHBondContact O-N 3.24Å; R201-N205 PolarHBondContact O-OD1 3.3Å; Q202-N205 PolarHBondContact O-N 3.35Å; L203-N205 VanDerWaalsContact C-N 3.3Å; L203-N205 PolarHBondContact O-N 3.02Å; N205-D209 WeakPolarHBondContact O-CB 3.29Å; N205-D209 PolarHBondContact O-N 3.13Å; N205-D209 VanDerWaalsContact O-N 3.08Å; N205-Q430 HydrophobicContact CB-CG 4.44Å; N205-Q430 VanDerWaalsContact ND2-CD 3.35Å; N205-Q430 PolarHBondContact ND2-OE1 3.44Å
206E80.2Confident78.6Confident62 Ų6273.7 Ų73.729%0.2938%0.378SS..Hα-helixtrans-65.4-41.1173.7-174.1177.2-174.700111.4Q202 L203 D209 A210 R374Q202-E206 WeakPolarHBondContact O-CB 3.39Å; Q202-E206 PolarHBondContact O-N 3.05Å; L203-E206 PolarHBondContact O-N 3.07Å; E206-D209 PolarHBondContact O-N 3.16Å; E206-A210 WeakPolarHBondContact O-CB 3.5Å; E206-A210 PolarHBondContact O-N 3.17Å; E206-R374 IonicContact OE1-CZ 3.95Å; E206-R374 IonicContact OE1-NE 2.6Å; E206-R374 PolarHBondContact OE1-NE 3.36Å; E206-R374 IonicContact OE1-NH2 3.25Å; E206-R374 PolarHBondContact OE1-NH2 2.81Å
207L83.3Confident79Confident97 Ų9771.6 Ų71.651%0.50838%0.376SS..Hα-helixtrans-62.1-49.5175.3-178.663.1000111.3L203 D209 A210 E211L203-L207 VanDerWaalsContact O-CB 3.26Å; L203-L207 WeakPolarHBondContact O-CB 3.37Å; L203-L207 PolarHBondContact O-N 3.17Å; L207-D209 VanDerWaalsContact C-N 3.34Å; L207-D209 PolarHBondContact O-N 3.3Å; L207-A210 CarbonylContact O-C 3.47Å; L207-A210 WeakPolarHBondContact O-CA 3.22Å; L207-A210 WeakPolarHBondContact O-CB 3.35Å; L207-A210 PolarHBondContact O-N 3.44Å; L207-E211 HydrophobicContact CD1-CG 4.23Å; L207-E211 HydrophobicContact CG-CG 4.39Å; L207-E211 WeakPolarHBondContact O-CG 3.47Å; L207-E211 PolarHBondContact O-N 2.83Å
208S79.2Confident79.7Confident55 Ų5574.3 Ų74.339%0.38539%0.388SS..Hα-helixtrans-63.1-37.6179.6-169.80000112.7T204 K212T204-S208 WeakPolarHBondContact O-CB 3.31Å; T204-S208 PolarHBondContact O-N 2.81Å; S208-K212 WeakPolarHBondContact O-CB 3.25Å; S208-K212 WeakPolarHBondContact O-CG 3.45Å; S208-K212 PolarHBondContact O-N 2.69Å
209D76.1Confident80.3Confident21 Ų2173.6 Ų73.611%0.11239%0.387CS..Hα-helixtrans-64.6-39.4171.4175.689.9000112.2N205 E206 L207 R213 R423N205-D209 WeakPolarHBondContact O-CB 3.29Å; N205-D209 PolarHBondContact O-N 3.13Å; N205-D209 VanDerWaalsContact O-N 3.08Å; E206-D209 PolarHBondContact O-N 3.16Å; L207-D209 VanDerWaalsContact C-N 3.34Å; L207-D209 PolarHBondContact O-N 3.3Å; D209-R213 WeakPolarHBondContact O-CB 3.34Å; D209-R213 WeakPolarHBondContact O-CG 3.28Å; D209-R213 PolarHBondContact O-N 3.12Å; D209-R213 PolarHBondContact O-NE 3.4Å; D209-R213 IonicContact OD2-CZ 2.98Å; D209-R213 IonicContact OD2-NE 2.9Å; D209-R213 PolarHBondContact OD2-NE 3.03Å; D209-R213 IonicContact OD2-NH2 2.69Å; D209-R213 PolarHBondContact OD2-NH2 2.68Å; D209-R423 IonicContact OD1-CZ 3.21Å; D209-R423 IonicContact OD1-NE 3.39Å; D209-R423 PolarHBondContact OD1-NE 3.38Å; D209-R423 IonicContact OD1-NH2 3.9Å; D209-R423 PolarHBondContact OD1-NH2 3.39Å; D209-R423 IonicContact OD2-CZ 3.5Å; D209-R423 IonicContact OD2-NE 3.26Å; D209-R423 IonicContact OD2-NH2 3.57Å; D209-R423 PolarHBondContact OD2-NH2 3.09Å
210A80.4Confident80.4Confident35 Ų3576.5 Ų76.529%0.28939%0.391SS..Hα-helixtrans-68.1-43.2176.800000112.5E206 L207 R213 A214E206-A210 WeakPolarHBondContact O-CB 3.5Å; E206-A210 PolarHBondContact O-N 3.17Å; L207-A210 CarbonylContact O-C 3.47Å; L207-A210 WeakPolarHBondContact O-CA 3.22Å; L207-A210 WeakPolarHBondContact O-CB 3.35Å; L207-A210 PolarHBondContact O-N 3.44Å; A210-R213 PolarHBondContact O-N 2.7Å; A210-A214 WeakPolarHBondContact O-CB 3.37Å; A210-A214 PolarHBondContact O-N 3.45Å
211E83.1Confident80.6Confident107 Ų10775.1 Ų75.150%0.539%0.385SS..Hα-helixtrans-63-46.9175.9-72.5173.4159.700111.4L207 R213 A214 T215L207-E211 HydrophobicContact CD1-CG 4.23Å; L207-E211 HydrophobicContact CG-CG 4.39Å; L207-E211 WeakPolarHBondContact O-CG 3.47Å; L207-E211 PolarHBondContact O-N 2.83Å; E211-R213 VanDerWaalsContact C-N 3.33Å; E211-R213 PolarHBondContact O-N 3.25Å; E211-A214 PolarHBondContact O-N 2.92Å; E211-A214 VanDerWaalsContact O-N 3.15Å; E211-T215 PolarHBondContact O-N 3.16Å; E211-T215 PolarHBondContact O-OG1 3.39Å
212K78.6Confident80.9Confident71 Ų7172.3 Ų72.331%0.30938%0.381SS..Hα-helixtrans-62-37.8175.2-76-169.1170.5-159.10112.7S208 T215 Q216 D607S208-K212 WeakPolarHBondContact O-CB 3.25Å; S208-K212 WeakPolarHBondContact O-CG 3.45Å; S208-K212 PolarHBondContact O-N 2.69Å; K212-T215 PolarHBondContact O-OG1 3.03Å; K212-T215 VanDerWaalsContact O-OG1 3.08Å; K212-Q216 VanDerWaalsContact O-CB 3.31Å; K212-Q216 WeakPolarHBondContact O-CB 3.39Å; K212-Q216 WeakPolarHBondContact O-CG 3.5Å; K212-Q216 PolarHBondContact O-N 3.38Å; K212-D607 IonicContact NZ-OD2 3.05Å; K212-D607 PolarHBondContact NZ-OD2 3.46Å
213R78Confident81Confident69 Ų6975 Ų7526%0.2639%0.389SS..Hα-helixtrans-68.4-37.1172.5-78.9-176-71.9111.4-4.5113D209 A210 E211 S217 R423D209-R213 WeakPolarHBondContact O-CB 3.34Å; D209-R213 WeakPolarHBondContact O-CG 3.28Å; D209-R213 PolarHBondContact O-N 3.12Å; D209-R213 PolarHBondContact O-NE 3.4Å; D209-R213 IonicContact OD2-CZ 2.98Å; D209-R213 IonicContact OD2-NE 2.9Å; D209-R213 PolarHBondContact OD2-NE 3.03Å; D209-R213 IonicContact OD2-NH2 2.69Å; D209-R213 PolarHBondContact OD2-NH2 2.68Å; A210-R213 PolarHBondContact O-N 2.7Å; E211-R213 VanDerWaalsContact C-N 3.33Å; E211-R213 PolarHBondContact O-N 3.25Å; R213-S217 VanDerWaalsContact O-CB 3.24Å; R213-S217 WeakPolarHBondContact O-CB 3.4Å; R213-S217 PolarHBondContact O-N 2.76Å; R213-S217 PolarHBondContact O-OG 3.09Å; R213-R423 VanDerWaalsContact NE-NH2 3.1Å
214A81.6Confident81.1Confident59 Ų5974.3 Ų74.349%0.48839%0.385SS..Hα-helixtrans-66-46.1177.100000111.1A210 E211 S217 Q218A210-A214 WeakPolarHBondContact O-CB 3.37Å; A210-A214 PolarHBondContact O-N 3.45Å; E211-A214 PolarHBondContact O-N 2.92Å; E211-A214 VanDerWaalsContact O-N 3.15Å; A214-S217 PolarHBondContact O-N 3.49Å; A214-Q218 WeakPolarHBondContact O-CB 3.41Å; A214-Q218 PolarHBondContact O-N 2.76Å
215T80.8Confident81.1Confident81 Ų8175.1 Ų75.150%0.49738%0.383SS..Hα-helixtrans-67-41.2176.955.50000112.3E211 K212 S217 Q218 K219E211-T215 PolarHBondContact O-N 3.16Å; E211-T215 PolarHBondContact O-OG1 3.39Å; K212-T215 PolarHBondContact O-OG1 3.03Å; K212-T215 VanDerWaalsContact O-OG1 3.08Å; T215-S217 PolarHBondContact O-N 3.09Å; T215-Q218 PolarHBondContact O-N 2.89Å; T215-K219 WeakPolarHBondContact O-CB 3.41Å; T215-K219 WeakPolarHBondContact O-CG 3.17Å; T215-K219 PolarHBondContact O-N 3.34Å
216Q79.1Confident81.3Confident94 Ų9478.3 Ų78.344%0.43940%0.399SS..Hα-helixtrans-61.3-42.8172.3-76174.4-7.900112.4K212 K219 R220K212-Q216 VanDerWaalsContact O-CB 3.31Å; K212-Q216 WeakPolarHBondContact O-CB 3.39Å; K212-Q216 WeakPolarHBondContact O-CG 3.5Å; K212-Q216 PolarHBondContact O-N 3.38Å; Q216-K219 PolarHBondContact O-N 3Å; Q216-R220 PolarHBondContact O-N 3.31Å
217S78.4Confident81.3Confident78 Ų7879 Ų7955%0.54540%0.404SS..Hα-helixtrans-64.6-40.7176.3-59.50000111.6R213 A214 T215 R220 L221R213-S217 VanDerWaalsContact O-CB 3.24Å; R213-S217 WeakPolarHBondContact O-CB 3.4Å; R213-S217 PolarHBondContact O-N 2.76Å; R213-S217 PolarHBondContact O-OG 3.09Å; A214-S217 PolarHBondContact O-N 3.49Å; T215-S217 PolarHBondContact O-N 3.09Å; S217-R220 PolarHBondContact O-N 2.97Å; S217-L221 WeakPolarHBondContact O-CB 3.35Å; S217-L221 PolarHBondContact O-N 2.75Å
218Q82.7Confident81.4Confident105 Ų10581 Ų8149%0.49141%0.406SS..Hα-helixtrans-66-42.3175.3-173.260.630.800111.6A214 T215 L221 T222A214-Q218 WeakPolarHBondContact O-CB 3.41Å; A214-Q218 PolarHBondContact O-N 2.76Å; T215-Q218 PolarHBondContact O-N 2.89Å; Q218-L221 PolarHBondContact O-N 3.48Å; Q218-T222 WeakPolarHBondContact O-CB 3.37Å; Q218-T222 PolarHBondContact O-N 3.14Å; Q218-T222 PolarHBondContact O-OG1 2.96Å
219K81.5Confident81.8Confident60 Ų6084.5 Ų84.526%0.26142%0.416SS..Hα-helixtrans-57.7-48.4172.1-78.3178.2166.6-168.50111.5T215 Q216 T222 R223 D608 E611T215-K219 WeakPolarHBondContact O-CB 3.41Å; T215-K219 WeakPolarHBondContact O-CG 3.17Å; T215-K219 PolarHBondContact O-N 3.34Å; Q216-K219 PolarHBondContact O-N 3Å; K219-T222 PolarHBondContact O-N 3.34Å; K219-R223 WeakPolarHBondContact O-CG 3.14Å; K219-R223 PolarHBondContact O-N 3.41Å; K219-D608 IonicContact NZ-OD1 3.33Å; K219-D608 PolarHBondContact NZ-OD1 3.24Å; K219-D608 IonicContact NZ-OD2 2.71Å; K219-D608 PolarHBondContact NZ-OD2 2.95Å; K219-E611 WeakPolarHBondContact CD-OE1 3.46Å; K219-E611 IonicContact NZ-OE1 3.21Å; K219-E611 PolarHBondContact NZ-OE1 3.38Å
220R80.3Confident82.2Confident150 Ų15085.6 Ų85.657%0.56642%0.424SS*.Hα-helixtrans-63.2-41.6176.9-173175.1179.7179.4-0.2111.7Q216 S217 R223 L224 E686Q216-R220 PolarHBondContact O-N 3.31Å; S217-R220 PolarHBondContact O-N 2.97Å; R220-R223 PolarHBondContact O-N 3.18Å; R220-L224 WeakPolarHBondContact O-CB 3.47Å; R220-L224 PolarHBondContact O-N 3.5Å; R220-E686 IonicContact CZ-OE2 3.79Å; R220-E686 IonicContact NH2-OE1 2.7Å; R220-E686 PolarHBondContact NH2-OE1 3.39Å; R220-E686 IonicContact NH2-OE2 2.67Å; R220-E686 PolarHBondContact NH2-OE2 3.34Å
221L84Confident82.4Confident75 Ų7588.2 Ų88.239%0.39343%0.432SS..Hα-helixtrans-62.9-41.5175.9179.160.7000111.8S217 Q218 L224 Q225S217-L221 WeakPolarHBondContact O-CB 3.35Å; S217-L221 PolarHBondContact O-N 2.75Å; Q218-L221 PolarHBondContact O-N 3.48Å; L221-L224 PolarHBondContact O-N 3.3Å; L221-Q225 HydrophobicContact CD1-CG 4.42Å; L221-Q225 WeakPolarHBondContact O-CB 3.18Å; L221-Q225 VanDerWaalsContact O-CG 3.26Å; L221-Q225 WeakPolarHBondContact O-CG 3.48Å; L221-Q225 PolarHBondContact O-N 3.4Å
222T85.5Confident82.5Confident51 Ų5188.7 Ų88.731%0.31344%0.437SS..Hα-helixtrans-66.2-41.2176.7-61.30000112Q218 K219 Q225 M226Q218-T222 WeakPolarHBondContact O-CB 3.37Å; Q218-T222 PolarHBondContact O-N 3.14Å; Q218-T222 PolarHBondContact O-OG1 2.96Å; K219-T222 PolarHBondContact O-N 3.34Å; T222-Q225 PolarHBondContact O-N 2.72Å; T222-M226 HydrophobicContact CG2-CE 3.89Å; T222-M226 WeakPolarHBondContact O-CG 3.25Å; T222-M226 PolarHBondContact O-N 3.01Å
223R81.5Confident82.8Confident105 Ų10587.5 Ų87.540%0.39644%0.438SS..Hα-helixtrans-57.8-52.9171-70.5177.9-169.9168.911.7110.8K219 R220 Q225 M226 D227 E611K219-R223 WeakPolarHBondContact O-CG 3.14Å; K219-R223 PolarHBondContact O-N 3.41Å; R220-R223 PolarHBondContact O-N 3.18Å; R223-Q225 VanDerWaalsContact C-N 3.26Å; R223-Q225 PolarHBondContact O-N 3.2Å; R223-M226 WeakPolarHBondContact O-CA 3.46Å; R223-M226 WeakPolarHBondContact O-CB 3.49Å; R223-M226 PolarHBondContact O-N 2.97Å; R223-D227 PolarHBondContact O-N 3.41Å; R223-E611 IonicContact CZ-OE2 3.93Å; R223-E611 VanDerWaalsContact CZ-OE2 3.32Å; R223-E611 IonicContact NH1-OE2 2.67Å; R223-E611 PolarHBondContact NH1-OE2 2.77Å; R223-E611 IonicContact NH2-OE1 2.83Å; R223-E611 PolarHBondContact NH2-OE1 3.46Å; R223-E611 IonicContact NH2-OE2 2.78Å; R223-E611 PolarHBondContact NH2-OE2 2.98Å
224L84Confident83.1Confident73 Ų7384.3 Ų84.338%0.38243%0.426SS..Hα-helixtrans-57.8-36.4179.1-166.274000112.7R220 L221 D227 Y228R220-L224 WeakPolarHBondContact O-CB 3.47Å; R220-L224 PolarHBondContact O-N 3.5Å; L221-L224 PolarHBondContact O-N 3.3Å; L224-D227 PolarHBondContact O-N 2.95Å; L224-Y228 HydrophobicContact CD1-CE2 4.19Å; L224-Y228 HydrophobicContact CD2-CE2 3.96Å; L224-Y228 HydrophobicContact CG-CD2 3.97Å; L224-Y228 HydrophobicContact CG-CE2 3.7Å; L224-Y228 WeakPolarHBondContact O-CB 3.15Å; L224-Y228 WeakPolarHBondContact O-CD2 3.43Å; L224-Y228 PolarHBondContact O-N 2.69Å
225Q85.6Confident83.3Confident95 Ų9585.2 Ų85.244%0.44443%0.425SS..Hα-helixtrans-67.3-40.1173.8-76.5172-6.200112.5L221 T222 R223 Y228 Q229L221-Q225 HydrophobicContact CD1-CG 4.42Å; L221-Q225 WeakPolarHBondContact O-CB 3.18Å; L221-Q225 VanDerWaalsContact O-CG 3.26Å; L221-Q225 WeakPolarHBondContact O-CG 3.48Å; L221-Q225 PolarHBondContact O-N 3.4Å; T222-Q225 PolarHBondContact O-N 2.72Å; R223-Q225 VanDerWaalsContact C-N 3.26Å; R223-Q225 PolarHBondContact O-N 3.2Å; Q225-Y228 PolarHBondContact O-N 3.28Å; Q225-Q229 WeakPolarHBondContact O-CB 3.47Å; Q225-Q229 VanDerWaalsContact O-CG 3.31Å; Q225-Q229 WeakPolarHBondContact O-CG 3.32Å; Q225-Q229 PolarHBondContact O-N 3.08Å
226M82.6Confident83.5Confident102 Ų10283.6 Ų83.650%0.50242%0.42SS..Hα-helixtrans-66-38.9173.7-68174.3176.200111.7T222 R223 Q229 T230T222-M226 HydrophobicContact CG2-CE 3.89Å; T222-M226 WeakPolarHBondContact O-CG 3.25Å; T222-M226 PolarHBondContact O-N 3.01Å; R223-M226 WeakPolarHBondContact O-CA 3.46Å; R223-M226 WeakPolarHBondContact O-CB 3.49Å; R223-M226 PolarHBondContact O-N 2.97Å; M226-Q229 PolarHBondContact O-N 3.13Å; M226-T230 WeakPolarHBondContact O-CB 3.47Å; M226-T230 PolarHBondContact O-N 2.85Å; M226-T230 PolarHBondContact O-OG1 3.42Å
227D80.7Confident83.6Confident77 Ų7781.4 Ų81.441%0.41241%0.412SS..Hα-helixtrans-64-46.1174.9-64.1-39.6000111.2R223 L224 T230 L231R223-D227 PolarHBondContact O-N 3.41Å; L224-D227 PolarHBondContact O-N 2.95Å; D227-T230 PolarHBondContact O-N 2.97Å; D227-L231 WeakPolarHBondContact O-CB 3.24Å; D227-L231 PolarHBondContact O-N 3.09Å
228Y86.4Confident83.8Confident139 Ų13981 Ų8155%0.54540%0.403SS..Hα-helixtrans-62.8-42.4174.8-82.7-56.5000112.6L224 Q225 T230 L231 I232L224-Y228 HydrophobicContact CD1-CE2 4.19Å; L224-Y228 HydrophobicContact CD2-CE2 3.96Å; L224-Y228 HydrophobicContact CG-CD2 3.97Å; L224-Y228 HydrophobicContact CG-CE2 3.7Å; L224-Y228 WeakPolarHBondContact O-CB 3.15Å; L224-Y228 WeakPolarHBondContact O-CD2 3.43Å; L224-Y228 PolarHBondContact O-N 2.69Å; Q225-Y228 PolarHBondContact O-N 3.28Å; Y228-T230 VanDerWaalsContact C-N 3.3Å; Y228-T230 PolarHBondContact O-N 3.43Å; Y228-L231 PolarHBondContact O-N 3.26Å; Y228-I232 WeakPolarHBondContact O-CB 3.48Å; Y228-I232 WeakPolarHBondContact O-CD1 3.2Å; Y228-I232 WeakPolarHBondContact O-CG1 3.39Å; Y228-I232 PolarHBondContact O-N 3.04Å
229Q86.1Confident83.9Confident128 Ų12881.4 Ų81.460%0.59841%0.407SS*.Hα-helixtrans-63.2-37174.8-74.3177.812.800112Q225 M226 S233Q225-Q229 WeakPolarHBondContact O-CB 3.47Å; Q225-Q229 VanDerWaalsContact O-CG 3.31Å; Q225-Q229 WeakPolarHBondContact O-CG 3.32Å; Q225-Q229 PolarHBondContact O-N 3.08Å; M226-Q229 PolarHBondContact O-N 3.13Å; Q229-S233 WeakPolarHBondContact O-CB 3.46Å; Q229-S233 PolarHBondContact O-N 3.06Å; Q229-S233 PolarHBondContact O-OG 2.7Å
230T84.3Confident84Confident43 Ų4383 Ų8326%0.26442%0.419SS..Hα-helixtrans-67.3-43.8175.2-58.70000111.3M226 D227 Y228 S233 V234M226-T230 WeakPolarHBondContact O-CB 3.47Å; M226-T230 PolarHBondContact O-N 2.85Å; M226-T230 PolarHBondContact O-OG1 3.42Å; D227-T230 PolarHBondContact O-N 2.97Å; Y228-T230 VanDerWaalsContact C-N 3.3Å; Y228-T230 PolarHBondContact O-N 3.43Å; T230-S233 WeakPolarHBondContact O-CB 3.3Å; T230-S233 PolarHBondContact O-N 2.82Å; T230-V234 WeakPolarHBondContact O-CG2 3.44Å; T230-V234 PolarHBondContact O-N 3.07Å
231L86.4Confident84.1Confident91 Ų9176.5 Ų76.548%0.47640%0.397SS..Hα-helixtrans-63.8-43176.5-179.960.9000112.4D227 Y228 S233 V234 T235D227-L231 WeakPolarHBondContact O-CB 3.24Å; D227-L231 PolarHBondContact O-N 3.09Å; Y228-L231 PolarHBondContact O-N 3.26Å; L231-S233 VanDerWaalsContact C-N 3.32Å; L231-S233 PolarHBondContact O-N 2.83Å; L231-V234 PolarHBondContact O-N 3.01Å; L231-T235 WeakPolarHBondContact O-CB 3.35Å; L231-T235 PolarHBondContact O-N 3.38Å; L231-T235 PolarHBondContact O-OG1 2.74Å
232I84.5Confident83.9Confident116 Ų11677.7 Ų77.760%0.59540%0.404SS*.Hα-helixtrans-59.3-45.8173.3-70.7163.1000109.9Y228 V234 T235 A236Y228-I232 WeakPolarHBondContact O-CB 3.48Å; Y228-I232 WeakPolarHBondContact O-CD1 3.2Å; Y228-I232 WeakPolarHBondContact O-CG1 3.39Å; Y228-I232 PolarHBondContact O-N 3.04Å; I232-V234 PolarHBondContact O-N 2.93Å; I232-T235 PolarHBondContact O-N 3.41Å; I232-A236 PolarHBondContact O-N 2.98Å
233S84Confident83.8Confident46 Ų4679.4 Ų79.432%0.32241%0.408SS..Hα-helixtrans-61.8-43.2178.3-58.10000112.7Q229 T230 L231 T235 A236 D237Q229-S233 WeakPolarHBondContact O-CB 3.46Å; Q229-S233 PolarHBondContact O-N 3.06Å; Q229-S233 PolarHBondContact O-OG 2.7Å; T230-S233 WeakPolarHBondContact O-CB 3.3Å; T230-S233 PolarHBondContact O-N 2.82Å; L231-S233 VanDerWaalsContact C-N 3.32Å; L231-S233 PolarHBondContact O-N 2.83Å; S233-T235 VanDerWaalsContact C-N 3.34Å; S233-A236 PolarHBondContact O-N 3.48Å; S233-D237 PolarHBondContact O-N 2.97Å
234V84.3Confident83.7Confident2 Ų277 Ų771%0.01240%0.403CS..Hα-helixtrans-71.1-31.91781750000111.4T230 L231 I232 A236 D237 I238 I259 R262 L263T230-V234 WeakPolarHBondContact O-CG2 3.44Å; T230-V234 PolarHBondContact O-N 3.07Å; L231-V234 PolarHBondContact O-N 3.01Å; I232-V234 PolarHBondContact O-N 2.93Å; V234-A236 VanDerWaalsContact C-N 3.34Å; V234-D237 PolarHBondContact O-N 3.25Å; V234-I238 HydrophobicContact CG1-CD1 3.97Å; V234-I238 WeakPolarHBondContact O-CD1 3.35Å; V234-I238 VanDerWaalsContact O-CG1 3.24Å; V234-I238 WeakPolarHBondContact O-CG1 3.5Å; V234-I238 PolarHBondContact O-N 3.38Å; V234-I259 HydrophobicContact CG1-CG2 4Å; V234-R262 HydrophobicContact CG2-CB 3.84Å; V234-L263 HydrophobicContact CG1-CD1 3.92Å
235T85.6Confident83.5Confident78 Ų7876.7 Ų76.748%0.47940%0.404SS..Hα-helixtrans-67.2-37.1173.6-57.70000111.1L231 I232 S233 I238 L239L231-T235 WeakPolarHBondContact O-CB 3.35Å; L231-T235 PolarHBondContact O-N 3.38Å; L231-T235 PolarHBondContact O-OG1 2.74Å; I232-T235 PolarHBondContact O-N 3.41Å; S233-T235 VanDerWaalsContact C-N 3.34Å; T235-I238 PolarHBondContact O-N 3.42Å; T235-L239 WeakPolarHBondContact O-CB 3.25Å; T235-L239 PolarHBondContact O-N 3.44Å
236A85Confident83.2Confident47 Ų4779.5 Ų79.539%0.38842%0.422SS..Hα-helixtrans-65.4-47.4171.100000112.1I232 S233 V234 I238 L239 D240I232-A236 PolarHBondContact O-N 2.98Å; S233-A236 PolarHBondContact O-N 3.48Å; V234-A236 VanDerWaalsContact C-N 3.34Å; A236-I238 PolarHBondContact O-N 3.36Å; A236-L239 PolarHBondContact O-N 3.15Å; A236-D240 PolarHBondContact O-N 3.08Å
237D81.7Confident83.2Confident49 Ų4981.4 Ų81.426%0.26243%0.427SS..Hα-helixtrans-53.6-40.5174.5-68.8-8.3000111.6S233 V234 A241 I259 R262S233-D237 PolarHBondContact O-N 2.97Å; V234-D237 PolarHBondContact O-N 3.25Å; D237-A241 VanDerWaalsContact O-CB 3.29Å; D237-A241 WeakPolarHBondContact O-CB 3.34Å; D237-A241 PolarHBondContact O-N 3.22Å; D237-A241 VanDerWaalsContact O-N 3.12Å; D237-I259 HydrophobicContact CB-CD1 4.09Å; D237-I259 HydrophobicContact CB-CG1 3.75Å; D237-R262 VanDerWaalsContact CG-NH1 3.31Å; D237-R262 IonicContact OD1-NH1 2.72Å; D237-R262 PolarHBondContact OD1-NH1 2.97Å; D237-R262 IonicContact OD2-CZ 2.69Å; D237-R262 IonicContact OD2-NE 3.32Å; D237-R262 IonicContact OD2-NH1 2.68Å; D237-R262 PolarHBondContact OD2-NH1 3.23Å
238I83.9Confident82.9Confident70 Ų7081 Ų8136%0.35944%0.442SS..Hα-helixtrans-70.3-42177.1-69.4164.5000111.5V234 T235 A236 A241 L242 I259V234-I238 HydrophobicContact CG1-CD1 3.97Å; V234-I238 WeakPolarHBondContact O-CD1 3.35Å; V234-I238 VanDerWaalsContact O-CG1 3.24Å; V234-I238 WeakPolarHBondContact O-CG1 3.5Å; V234-I238 PolarHBondContact O-N 3.38Å; T235-I238 PolarHBondContact O-N 3.42Å; A236-I238 PolarHBondContact O-N 3.36Å; I238-A241 PolarHBondContact O-N 3.31Å; I238-L242 HydrophobicContact CG2-CD1 4.01Å; I238-L242 HydrophobicContact CG2-CG 4.49Å; I238-L242 WeakPolarHBondContact O-CG 3.38Å; I238-L242 PolarHBondContact O-N 3.15Å; I238-I259 HydrophobicContact CD1-CG2 4.06Å; I238-I259 HydrophobicContact CG1-CD1 3.91Å; I238-I259 HydrophobicContact CG1-CG1 4.38Å; I238-I259 HydrophobicContact CG1-CG2 3.9Å
239L84Confident82.2Confident112 Ų11280.4 Ų80.459%0.58644%0.442SS*.Hα-helixtrans-63.2-46.7179.2-156.186000111.1T235 A236 A241 L242 E243T235-L239 WeakPolarHBondContact O-CB 3.25Å; T235-L239 PolarHBondContact O-N 3.44Å; A236-L239 PolarHBondContact O-N 3.15Å; L239-A241 VanDerWaalsContact C-N 3.32Å; L239-A241 PolarHBondContact O-N 3Å; L239-L242 PolarHBondContact O-N 2.93Å; L239-E243 PolarHBondContact O-N 3.19Å
240D83.1Confident81.2Confident95 Ų9580 Ų8051%0.50845%0.453SS..Hα-helixtrans-59.6-41.9174.6-84.66.5000111.3A236 E243 N244A236-D240 PolarHBondContact O-N 3.08Å; D240-E243 PolarHBondContact O-N 3.39Å; D240-N244 WeakPolarHBondContact O-CB 3.11Å; D240-N244 PolarHBondContact O-N 3.19Å; D240-N244 PolarHBondContact O-ND2 2.87Å
241A81.9Confident80.4Confident13 Ų1382.1 Ų82.111%0.10746%0.462CS..Hα-helixtrans-64.3-40.2177.800000112.2D237 I238 L239 T245 L251 V255D237-A241 VanDerWaalsContact O-CB 3.29Å; D237-A241 WeakPolarHBondContact O-CB 3.34Å; D237-A241 PolarHBondContact O-N 3.22Å; D237-A241 VanDerWaalsContact O-N 3.12Å; I238-A241 PolarHBondContact O-N 3.31Å; L239-A241 VanDerWaalsContact C-N 3.32Å; L239-A241 PolarHBondContact O-N 3Å; A241-T245 WeakPolarHBondContact O-CB 3.46Å; A241-T245 PolarHBondContact O-N 3.35Å; A241-T245 VanDerWaalsContact O-N 3.11Å; A241-T245 PolarHBondContact O-OG1 3.25Å; A241-L251 HydrophobicContact CB-CD1 3.86Å; A241-V255 HydrophobicContact CB-CG1 4.31Å
242L80.4Confident79.6Confident100 Ų10082 Ų8252%0.52446%0.462SS..Hα-helixtrans-67.3-43.1173.6-71169.5000111.8I238 L239 T245 L246I238-L242 HydrophobicContact CG2-CD1 4.01Å; I238-L242 HydrophobicContact CG2-CG 4.49Å; I238-L242 WeakPolarHBondContact O-CG 3.38Å; I238-L242 PolarHBondContact O-N 3.15Å; L239-L242 PolarHBondContact O-N 2.93Å; L242-T245 WeakPolarHBondContact O-CB 3.48Å; L242-T245 PolarHBondContact O-N 2.88Å; L242-L246 WeakPolarHBondContact O-CG 3.36Å; L242-L246 PolarHBondContact O-N 2.94Å
243E83.1Confident78.9Confident86 Ų8680.4 Ų80.440%0.40246%0.461SS..Hα-helixtrans-65.2-40.5178.6-163.2-168.3137.100111.9L239 D240 T245 L246 K247L239-E243 PolarHBondContact O-N 3.19Å; D240-E243 PolarHBondContact O-N 3.39Å; E243-T245 VanDerWaalsContact C-N 3.3Å; E243-T245 PolarHBondContact O-N 3.48Å; E243-L246 PolarHBondContact O-N 3.5Å; E243-K247 HydrophobicContact CG-CD 4.36Å; E243-K247 WeakPolarHBondContact O-CB 3.42Å; E243-K247 WeakPolarHBondContact O-CG 3.47Å; E243-K247 PolarHBondContact O-N 2.87Å; E243-K247 WeakPolarHBondContact OE1-CE 3.39Å; E243-K247 IonicContact OE1-NZ 2.97Å; E243-K247 PolarHBondContact OE1-NZ 2.83Å
244N79.3Confident78.2Confident56 Ų5680.4 Ų80.430%0.29946%0.461SS..Hα-helixtrans-65.2-34.5174.2-79.1-76.6000112.1D240 K247 G248 K249D240-N244 WeakPolarHBondContact O-CB 3.11Å; D240-N244 PolarHBondContact O-N 3.19Å; D240-N244 PolarHBondContact O-ND2 2.87Å; N244-K247 CarbonylContact O-C 3.52Å; N244-K247 PolarHBondContact O-N 3.08Å; N244-G248 PolarHBondContact O-N 2.69Å; N244-K249 HydrophobicContact CB-CB 4.48Å; N244-K249 HydrophobicContact CB-CD 4.28Å; N244-K249 WeakPolarHBondContact O-CB 3.38Å; N244-K249 PolarHBondContact O-N 2.98Å; N244-K249 WeakPolarHBondContact OD1-CD 3.33Å; N244-K249 WeakPolarHBondContact OD1-CE 3.35Å; N244-K249 PolarHBondContact OD1-NZ 3.25Å
245T81.3Confident77.5Confident66 Ų6682.7 Ų82.741%0.40548%0.475SS..Hα-helixtrans-67.4-44.1173.6-55.30000111.4A241 L242 E243 K247 G248A241-T245 WeakPolarHBondContact O-CB 3.46Å; A241-T245 PolarHBondContact O-N 3.35Å; A241-T245 VanDerWaalsContact O-N 3.11Å; A241-T245 PolarHBondContact O-OG1 3.25Å; L242-T245 WeakPolarHBondContact O-CB 3.48Å; L242-T245 PolarHBondContact O-N 2.88Å; E243-T245 VanDerWaalsContact C-N 3.3Å; E243-T245 PolarHBondContact O-N 3.48Å; T245-K247 PolarHBondContact O-N 3.15Å; T245-G248 PolarHBondContact O-N 3.37Å
246L79.4Confident76.8Confident154 Ų15484 Ų8481%0.80648%0.477SS*.Hα-helixtrans-61.3-32.3172.8-75.9162.4000112.5L242 E243 G248L242-L246 WeakPolarHBondContact O-CG 3.36Å; L242-L246 PolarHBondContact O-N 2.94Å; E243-L246 PolarHBondContact O-N 3.5Å; L246-G248 PolarHBondContact O-N 2.67Å
247K81.1Confident76.2Confident141 Ų14188.3 Ų88.361%0.61349%0.489SS*.THydrogen-bonded Turntrans-79.811172.2-72.3172.7170.31760113.9E243 N244 T245 K249E243-K247 HydrophobicContact CG-CD 4.36Å; E243-K247 WeakPolarHBondContact O-CB 3.42Å; E243-K247 WeakPolarHBondContact O-CG 3.47Å; E243-K247 PolarHBondContact O-N 2.87Å; E243-K247 WeakPolarHBondContact OE1-CE 3.39Å; E243-K247 IonicContact OE1-NZ 2.97Å; E243-K247 PolarHBondContact OE1-NZ 2.83Å; N244-K247 CarbonylContact O-C 3.52Å; N244-K247 PolarHBondContact O-N 3.08Å; T245-K247 PolarHBondContact O-N 3.15Å; K247-K249 VanDerWaalsContact C-N 3.32Å; K247-K249 PolarHBondContact O-N 2.7Å
248G74.6Confident75.7Confident70 Ų7091.7 Ų91.772%0.72250%0.501SS*.THydrogen-bonded Turntrans75.511.9173.100000115.5N244 T245 L246N244-G248 PolarHBondContact O-N 2.69Å; T245-G248 PolarHBondContact O-N 3.37Å; L246-G248 PolarHBondContact O-N 2.67Å
249K72.8Confident75.2Confident126 Ų12689.3 Ų89.355%0.54849%0.489SS..  trans-82.4138.6170.3-56.2-177.6-166.9165.50109.2N244 K247 L251N244-K249 HydrophobicContact CB-CB 4.48Å; N244-K249 HydrophobicContact CB-CD 4.28Å; N244-K249 WeakPolarHBondContact O-CB 3.38Å; N244-K249 PolarHBondContact O-N 2.98Å; N244-K249 WeakPolarHBondContact OD1-CD 3.33Å; N244-K249 WeakPolarHBondContact OD1-CE 3.35Å; N244-K249 PolarHBondContact OD1-NZ 3.25Å; K247-K249 VanDerWaalsContact C-N 3.32Å; K247-K249 PolarHBondContact O-N 2.7Å; K249-L251 PolarHBondContact O-N 2.86Å
250S64.8Low74.5Confident118 Ų11891.9 Ų91.983%0.82549%0.492SS*.  trans-64.8134.7172.642.80000111D252S250-D252 PolarHBondContact O-N 2.81Å; S250-D252 VanDerWaalsContact O-N 3.14Å
251L67.8Low73.9Confident89 Ų8989.7 Ų89.747%0.46648%0.484SS..  trans-66.7107.8174.8-169.582.3000109.6A241 K249 S253 M256A241-L251 HydrophobicContact CB-CD1 3.86Å; K249-L251 PolarHBondContact O-N 2.86Å; L251-S253 PolarHBondContact O-N 3.49Å; L251-M256 HydrophobicContact CD2-CG 3.81Å
252D69.8Low73.3Confident89 Ų8993.6 Ų93.648%0.47650%0.496SS..  trans-69.8129.8176.3173.327.2000111.1S250 S254 V255S250-D252 PolarHBondContact O-N 2.81Å; S250-D252 VanDerWaalsContact O-N 3.14Å; D252-S254 PolarHBondContact O-N 2.94Å; D252-S254 VanDerWaalsContact O-N 3.16Å; D252-S254 PolarHBondContact OD1-N 3.15Å; D252-S254 WeakPolarHBondContact OD2-CB 3.47Å; D252-S254 PolarHBondContact OD2-OG 3.08Å; D252-V255 HydrophobicContact CB-CG2 4.29Å; D252-V255 WeakPolarHBondContact O-CB 3.41Å; D252-V255 PolarHBondContact O-N 3.27Å
253S69Low72.7Confident82 Ų8293 Ų9357%0.57349%0.493SS*.Hα-helixtrans-55.7-29.9176.3-169.30000112.5L251 V255 M256 Q257L251-S253 PolarHBondContact O-N 3.49Å; S253-V255 VanDerWaalsContact C-N 3.25Å; S253-V255 PolarHBondContact O-N 3.39Å; S253-M256 PolarHBondContact O-N 3.16Å; S253-Q257 PolarHBondContact O-N 3.12Å
254S70.2Confident72Confident45 Ų4591.2 Ų91.232%0.31549%0.487SS..Hα-helixtrans-64-28.417695.80000113.4D252 K258D252-S254 PolarHBondContact O-N 2.94Å; D252-S254 VanDerWaalsContact O-N 3.16Å; D252-S254 PolarHBondContact OD1-N 3.15Å; D252-S254 WeakPolarHBondContact OD2-CB 3.47Å; D252-S254 PolarHBondContact OD2-OG 3.08Å; S254-K258 WeakPolarHBondContact O-CD 3.38Å; S254-K258 VanDerWaalsContact O-CG 3.22Å; S254-K258 WeakPolarHBondContact O-CG 3.41Å; S254-K258 PolarHBondContact O-N 2.81Å; S254-K258 VanDerWaalsContact O-N 3.09Å; S254-K258 PolarHBondContact OG-NZ 3.16Å
255V69.4Low71.2Confident50 Ų5093.3 Ų93.330%0.30350%0.495SS..Hα-helixtrans-75-45.9178.3-177.70000110.2A241 D252 S253 Q257 K258 I259A241-V255 HydrophobicContact CB-CG1 4.31Å; D252-V255 HydrophobicContact CB-CG2 4.29Å; D252-V255 WeakPolarHBondContact O-CB 3.41Å; D252-V255 PolarHBondContact O-N 3.27Å; S253-V255 VanDerWaalsContact C-N 3.25Å; S253-V255 PolarHBondContact O-N 3.39Å; V255-Q257 VanDerWaalsContact C-N 3.32Å; V255-Q257 PolarHBondContact O-N 3.25Å; V255-K258 WeakPolarHBondContact O-CB 3.34Å; V255-K258 PolarHBondContact O-N 3.06Å; V255-K258 VanDerWaalsContact O-N 3.16Å; V255-I259 HydrophobicContact CG1-CD1 3.95Å; V255-I259 WeakPolarHBondContact O-CG1 3.4Å; V255-I259 PolarHBondContact O-N 3.07Å
256M69.6Low70.1Confident106 Ų10691.8 Ų91.852%0.52249%0.488SS..Hα-helixtrans-59.5-40174-86.2-71.8-75.500112.4L251 S253 I259 Y260L251-M256 HydrophobicContact CD2-CG 3.81Å; S253-M256 PolarHBondContact O-N 3.16Å; M256-I259 PolarHBondContact O-N 2.81Å; M256-Y260 WeakPolarHBondContact O-CB 3.45Å; M256-Y260 PolarHBondContact O-N 2.91Å
257Q72.7Confident68.9Low138 Ų13890.8 Ų90.865%0.64548%0.479SS*.Hα-helixtrans-70-33.5175.1-70.9-159-1.500113.4S253 V255 S261S253-Q257 PolarHBondContact O-N 3.12Å; V255-Q257 VanDerWaalsContact C-N 3.32Å; V255-Q257 PolarHBondContact O-N 3.25Å; Q257-S261 VanDerWaalsContact O-CB 3.25Å; Q257-S261 WeakPolarHBondContact O-CB 3.37Å; Q257-S261 PolarHBondContact O-N 3.35Å; Q257-S261 PolarHBondContact O-OG 3.44Å
258K72.2Confident67.3Low120 Ų12089.4 Ų89.452%0.52248%0.478SS..Hα-helixtrans-63.7-46.5170.6-74.1161.4-172.7157.30111.7S254 V255 S261 R262S254-K258 WeakPolarHBondContact O-CD 3.38Å; S254-K258 VanDerWaalsContact O-CG 3.22Å; S254-K258 WeakPolarHBondContact O-CG 3.41Å; S254-K258 PolarHBondContact O-N 2.81Å; S254-K258 VanDerWaalsContact O-N 3.09Å; S254-K258 PolarHBondContact OG-NZ 3.16Å; V255-K258 WeakPolarHBondContact O-CB 3.34Å; V255-K258 PolarHBondContact O-N 3.06Å; V255-K258 VanDerWaalsContact O-N 3.16Å; K258-S261 WeakPolarHBondContact CA-OG 3.42Å; K258-S261 PolarHBondContact O-N 2.98Å; K258-S261 PolarHBondContact O-OG 3.43Å; K258-S261 VanDerWaalsContact O-OG 3.09Å; K258-R262 WeakPolarHBondContact O-CB 3.43Å; K258-R262 VanDerWaalsContact O-CG 3.28Å; K258-R262 WeakPolarHBondContact O-CG 3.42Å; K258-R262 PolarHBondContact O-N 3.03Å
259I72.7Confident65.8Low19 Ų1992.1 Ų92.110%0.09748%0.476CS..Hα-helixtrans-58.9-52.3176-73.1163.8000110.6V234 D237 I238 V255 M256 S261 R262 L263V234-I259 HydrophobicContact CG1-CG2 4Å; D237-I259 HydrophobicContact CB-CD1 4.09Å; D237-I259 HydrophobicContact CB-CG1 3.75Å; I238-I259 HydrophobicContact CD1-CG2 4.06Å; I238-I259 HydrophobicContact CG1-CD1 3.91Å; I238-I259 HydrophobicContact CG1-CG1 4.38Å; I238-I259 HydrophobicContact CG1-CG2 3.9Å; V255-I259 HydrophobicContact CG1-CD1 3.95Å; V255-I259 WeakPolarHBondContact O-CG1 3.4Å; V255-I259 PolarHBondContact O-N 3.07Å; M256-I259 PolarHBondContact O-N 2.81Å; I259-S261 PolarHBondContact O-N 3.24Å; I259-R262 PolarHBondContact O-N 3.44Å; I259-L263 WeakPolarHBondContact O-CB 3.42Å; I259-L263 PolarHBondContact O-N 3.49Å
260Y69.4Low64.5Low167 Ų16789 Ų8966%0.65547%0.473SS*.Hα-helixtrans-63.2-44.3-179-174.6-100.4000112.2M256 L263 V264M256-Y260 WeakPolarHBondContact O-CB 3.45Å; M256-Y260 PolarHBondContact O-N 2.91Å; Y260-L263 PolarHBondContact O-N 2.85Å; Y260-V264 HydrophobicContact CD1-CG2 4.29Å; Y260-V264 HydrophobicContact CD2-CG2 4.48Å; Y260-V264 HydrophobicContact CE1-CG2 3.93Å; Y260-V264 HydrophobicContact CE2-CG2 4.12Å; Y260-V264 WeakPolarHBondContact O-CB 3.31Å; Y260-V264 WeakPolarHBondContact O-CG2 3.47Å; Y260-V264 PolarHBondContact O-N 2.76Å
261S70.8Confident63.1Low48 Ų4887.3 Ų87.334%0.33646%0.462SS..Hα-helixtrans-64.6-43.6176.654.90000112.2Q257 K258 I259 L263 V264 H265Q257-S261 VanDerWaalsContact O-CB 3.25Å; Q257-S261 WeakPolarHBondContact O-CB 3.37Å; Q257-S261 PolarHBondContact O-N 3.35Å; Q257-S261 PolarHBondContact O-OG 3.44Å; K258-S261 WeakPolarHBondContact CA-OG 3.42Å; K258-S261 PolarHBondContact O-N 2.98Å; K258-S261 PolarHBondContact O-OG 3.43Å; K258-S261 VanDerWaalsContact O-OG 3.09Å; I259-S261 PolarHBondContact O-N 3.24Å; S261-L263 PolarHBondContact O-N 3.15Å; S261-V264 PolarHBondContact O-N 3.25Å; S261-H265 WeakPolarHBondContact O-CB 3.41Å; S261-H265 PolarHBondContact O-N 2.92Å; S261-H265 PolarHBondContact O-ND1 2.98Å
262R68.7Low61.4Low96 Ų9691.1 Ų91.136%0.36248%0.482SS..Hα-helixtrans-58-47.3174.1-73.3-178.978.2177.89.5111.6V234 D237 K258 I259 V264 H265 S266V234-R262 HydrophobicContact CG2-CB 3.84Å; D237-R262 VanDerWaalsContact CG-NH1 3.31Å; D237-R262 IonicContact OD1-NH1 2.72Å; D237-R262 PolarHBondContact OD1-NH1 2.97Å; D237-R262 IonicContact OD2-CZ 2.69Å; D237-R262 IonicContact OD2-NE 3.32Å; D237-R262 IonicContact OD2-NH1 2.68Å; D237-R262 PolarHBondContact OD2-NH1 3.23Å; K258-R262 WeakPolarHBondContact O-CB 3.43Å; K258-R262 VanDerWaalsContact O-CG 3.28Å; K258-R262 WeakPolarHBondContact O-CG 3.42Å; K258-R262 PolarHBondContact O-N 3.03Å; I259-R262 PolarHBondContact O-N 3.44Å; R262-V264 PolarHBondContact O-N 2.99Å; R262-H265 PolarHBondContact O-N 3.47Å; R262-S266 WeakPolarHBondContact O-CB 3.36Å; R262-S266 PolarHBondContact O-N 3.46Å
263L67.4Low59.5Low87 Ų8795.8 Ų95.846%0.45550%0.498SS..Hα-helixtrans-62.3-42.5-179.3-15889.9000112.4V234 I259 Y260 S261V234-L263 HydrophobicContact CG1-CD1 3.92Å; I259-L263 WeakPolarHBondContact O-CB 3.42Å; I259-L263 PolarHBondContact O-N 3.49Å; Y260-L263 PolarHBondContact O-N 2.85Å; S261-L263 PolarHBondContact O-N 3.15Å
264V68.6Low57.7Low48 Ų4898 Ų9829%0.29151%0.508SS..Hα-helixtrans-74.9-40.3179.4172.90000112.2Y260 S261 R262 S266 Q267Y260-V264 HydrophobicContact CD1-CG2 4.29Å; Y260-V264 HydrophobicContact CD2-CG2 4.48Å; Y260-V264 HydrophobicContact CE1-CG2 3.93Å; Y260-V264 HydrophobicContact CE2-CG2 4.12Å; Y260-V264 WeakPolarHBondContact O-CB 3.31Å; Y260-V264 WeakPolarHBondContact O-CG2 3.47Å; Y260-V264 PolarHBondContact O-N 2.76Å; S261-V264 PolarHBondContact O-N 3.25Å; R262-V264 PolarHBondContact O-N 2.99Å; V264-S266 VanDerWaalsContact C-N 3.29Å; V264-S266 PolarHBondContact O-N 3.39Å; V264-Q267 PolarHBondContact O-N 3.5Å; V264-Q267 VanDerWaalsContact O-N 3.15Å
265H63.2Low55.8Low100 Ų100102.6 Ų102.646%0.46353%0.529SS..Hα-helixtrans-72.7-23.4178.8-6974.4000112.4S261 R262 Q267 N268 N269S261-H265 WeakPolarHBondContact O-CB 3.41Å; S261-H265 PolarHBondContact O-N 2.92Å; S261-H265 PolarHBondContact O-ND1 2.98Å; R262-H265 PolarHBondContact O-N 3.47Å; H265-Q267 PolarHBondContact O-N 3.4Å; H265-N268 PolarHBondContact O-N 2.97Å; H265-N269 PolarHBondContact O-N 3.37Å; H265-N269 VanDerWaalsContact O-N 3.07Å
266S57.2Low53.8Low35 Ų35109.3 Ų109.325%0.24556%0.556CS.*THydrogen-bonded Turntrans-57.3-28.5168.5-159.90000112.6R262 V264R262-S266 WeakPolarHBondContact O-CB 3.36Å; R262-S266 PolarHBondContact O-N 3.46Å; V264-S266 VanDerWaalsContact C-N 3.29Å; V264-S266 PolarHBondContact O-N 3.39Å
267Q55.1Low51.8Low133 Ų133112.7 Ų112.762%0.62157%0.571SS**THydrogen-bonded Turntrans-85.7-15.3176.4-62.2-172.1-14.700113.5V264 H265V264-Q267 PolarHBondContact O-N 3.5Å; V264-Q267 VanDerWaalsContact O-N 3.15Å; H265-Q267 PolarHBondContact O-N 3.4Å
268N47.3Very low49.7Very low112 Ų112113.2 Ų113.260%0.59958%0.578SS**THydrogen-bonded Turntrans-103-17.8-175.5-69.5-19.6000113.7H265 A270H265-N268 PolarHBondContact O-N 2.97Å; N268-A270 PolarHBondContact O-N 2.9Å; N268-A270 VanDerWaalsContact O-N 3.16Å
269N43.2Very low47.5Very low126 Ų126112.7 Ų112.767%0.67459%0.59SS**THydrogen-bonded Turntrans-81.921.8-178.8-73.4-5.2000113.7H265 S271H265-N269 PolarHBondContact O-N 3.37Å; H265-N269 VanDerWaalsContact O-N 3.07Å; N269-S271 PolarHBondContact O-N 3.4Å; N269-S271 VanDerWaalsContact O-N 3.12Å
270A46.2Very low45.3Very low60 Ų60119.8 Ų119.850%0.49662%0.623SS.*THydrogen-bonded Turntrans-66.3-6.9176.100000113.8N268N268-A270 PolarHBondContact O-N 2.9Å; N268-A270 VanDerWaalsContact O-N 3.16Å
271S34.1Very low43.4Very low84 Ų84122 Ų12259%0.58764%0.636SS**SBendtrans-135.6143179.5-48.70000112.4N269N269-S271 PolarHBondContact O-N 3.4Å; N269-S271 VanDerWaalsContact O-N 3.12Å
272L31.9Very low41.3Very low168 Ų168127.2 Ų127.288%0.8866%0.66SS**SBendtrans82.2124.6170.8-53170000118.1
273K29.8Very low39.3Very low187 Ų187131.5 Ų131.581%0.81368%0.681SS**  trans77.285.5162.7-58.5-177.5-179.9-179.20118.7
274V32.8Very low37.3Very low130 Ų130133.8 Ų133.879%0.78870%0.699SS**  trans-97.9105.4136.41780000107.6
275N29.6Very low35.5Very low140 Ų140136.6 Ų136.675%0.74972%0.721SS**  trans-85.2132.2167-94.523000108.9Q277N275-Q277 PolarHBondContact O-N 2.98Å
276H27.6Very low33.6Very low191 Ų191139.4 Ų139.488%0.88474%0.739SS**  trans-65.7100.6173.1-75.1-78.6000112.4
277Q27Very low32.3Very low177 Ų177144.9 Ų144.983%0.82777%0.766SS**  trans-145.1156.8152.4-71.1-160.6-12.300111.1N275N275-Q277 PolarHBondContact O-N 2.98Å
278N29.1Very low30.9Very low150 Ų150144.5 Ų144.580%0.80277%0.773SS**  trans73.979.8172.5-62.1-4.3000118.5
279S25.8Very low30Very low109 Ų109148.5 Ų148.576%0.76279%0.785SS**  -31.5158126.2170.10000114.7
280Q25.9Very low29.1Very low168 Ų168145.8 Ų145.879%0.78579%0.787SS**  trans76.598.6-179.5-53.7-175.75.500116.6
281F29.5Very low28.2Very low212 Ų212148.6 Ų148.693%0.9380%0.802SS**  -160.8118.8111-110.5-72.1000110.4
282N26.5Very low27.6Very low158 Ų158152.6 Ų152.685%0.84581%0.811SS**  trans-146.992.9-178.8-156.70.6000110.1
283K27.3Very low27.5Very low187 Ų187151 Ų15181%0.81381%0.809SS**  trans174.6137.4163.1-104.5160.4-174.5177.60112.8
284T26Very low27.3Very low134 Ų134150.5 Ų150.582%0.82281%0.806SS**  trans61.5144.2158.740.70000117.9
285S29.4Very low27Very low108 Ų108153.4 Ų153.476%0.75581%0.811SS**  cis-148.1164.13.7-1030000111.6
286N25.3Very low26.9Very low158 Ų158155.2 Ų155.285%0.84582%0.817SS**  trans-55.7143.6167.3-58.4-20.2000111.2
287N28.9Very low26.7Very low151 Ų151154 Ų15481%0.80782%0.817SS**  trans-154135.5131.4-128.8-2.2000112.8
288T25.4Very low26.9Very low124 Ų124152.8 Ų152.876%0.76182%0.821SS**  trans-82.5128.2177.7-58.90000110.2
289F28.7Very low26.9Very low196 Ų196149.2 Ų149.286%0.8682%0.82SS**  trans-137.5113.3155.4-95.2-81.8000109.7
290G23.6Very low26.8Very low69 Ų69152.5 Ų152.571%0.71182%0.823SS**  trans-86.8155.6163.500000110.2
291C27.7Very low27Very low120 Ų120152.3 Ų152.381%0.81183%0.828SS**  trans-131.8114.5165.9-166.30000108.4
292E22.6Very low27.1Very low167 Ų167150.6 Ų150.678%0.7882%0.82SS**  trans-83138.7172-57.2-174.7155.500109.5
293T29.9Very low27.6Very low135 Ų135148.3 Ų148.383%0.82881%0.814SS**  trans-128.1102.3166.655.10000110.2
294K24.1Very low27.5Very low176 Ų176147.8 Ų147.877%0.76581%0.814SS**  trans-93.5121.2168.1-77.8171.2175.8157.40110
295E27.3Very low27.7Very low192 Ų192147.1 Ų147.190%0.89781%0.81SS**  trans-132.4104.5149.3-68.4-175.8122.900104.8
296M26.5Very low27.9Very low177 Ų177148.1 Ų148.187%0.87281%0.814SS**  75130.974.1-73.5-157.465.700113.9
297L24.2Very low28.1Very low166 Ų166144.2 Ų144.287%0.86981%0.811SS**  trans-80.7146.6-166.6-69.764.7000112.5
298V31.4Very low28Very low151 Ų151146.5 Ų146.592%0.91582%0.816SS**  trans-142.1128.8147.6-177.40000109.7
299G28.9Very low28.4Very low76 Ų76149.9 Ų149.978%0.78482%0.82SS**  trans82.4100.8153.800000118.7
300E24.5Very low28.5Very low177 Ų177145.7 Ų145.783%0.82781%0.813SS**  trans-78.9147.3144.3-69.2-178.692.300109.3
301D29.7Very low28.7Very low165 Ų165150.2 Ų150.288%0.88282%0.821SS**  trans-157.5168.8134.4-128.7-35.4000112.2
302K31.4Very low28.8Very low175 Ų175151.7 Ų151.776%0.76182%0.82SS**  trans-104167.5-156.3-90173.7-178.4165.90117.3
303P37.2Very low29Very low111 Ų111149.7 Ų149.772%0.72182%0.821SS**  trans-98.1-164.6-164.240.9-38.7000115.2
304E25.6Very low29Very low175 Ų175150.5 Ų150.582%0.81883%0.826SS**  trans84.6145-178-61.4-176.5-145.800114.9
305T29.3Very low29.1Very low120 Ų120144.6 Ų144.674%0.73682%0.815SS**  cis-146.2174.1-1.24.30000109.5
306P33.1Very low29.2Very low130 Ų130145.3 Ų145.384%0.84482%0.815SS**  trans-85.4158.4-163.934.7-37.3000116
307G30.2Very low29.4Very low75 Ų75140.1 Ų140.177%0.77380%0.797SS**  trans-145.8134.8173.100000113.9
308H27Very low29.9Very low199 Ų199138.6 Ų138.692%0.92178%0.78SS**  trans-62.8140.3178.3-82.3-68.5000113.3
309K33.9Very low30.2Very low195 Ų195135.2 Ų135.285%0.84876%0.756SS**  trans-133.3152.3150.5-74.3-167177.7178.80109.8
310P30.4Very low30.5Very low109 Ų109139.1 Ų139.171%0.70875%0.754SS**  trans-87161.7-157.634.1-37.3000114.5L312P310-L312 PolarHBondContact O-N 3.35Å
311N27Very low31.2Very low164 Ų164135.6 Ų135.688%0.87774%0.741SS**  trans-60.5121.2175.5-60.7-21000111.7
312L30.5Very low31.6Very low150 Ų150131.8 Ų131.879%0.78573%0.725SS**  trans-106.7157.5152.8-97.377.5000108.6P310P310-L312 PolarHBondContact O-N 3.35Å
313P26.6Very low32.1Very low125 Ų125128.1 Ų128.181%0.81272%0.722SS**  trans-66.6140.3-166.225.9-35000113.1G315P313-G315 PolarHBondContact O-N 2.93Å
314V30.3Very low32.8Very low152 Ų152125.1 Ų125.192%0.92170%0.703SS**  trans-67104.2176.4178.80000109.4
315G26.2Very low34.5Very low53 Ų53127.4 Ų127.455%0.54670%0.704SS.*  trans-139.9124.6172.100000109.8P313P313-G315 PolarHBondContact O-N 2.93Å
316F29.4Very low36.8Very low206 Ų206123.1 Ų123.190%0.90468%0.677SS**  trans61.1108.6176.7-52.9-87.2000116.9
317S30.8Very low39.2Very low68 Ų68119.5 Ų119.548%0.47665%0.648SS.*  trans-156.3112.3133-154.60000112.5N319 E320S317-N319 PolarHBondContact O-N 3Å; S317-E320 WeakPolarHBondContact CB-OE1 3.46Å; S317-E320 VanDerWaalsContact OG-CB 3.29Å; S317-E320 WeakPolarHBondContact OG-CB 3.48Å; S317-E320 VanDerWaalsContact OG-CD 3.28Å; S317-E320 WeakPolarHBondContact OG-CG 3.24Å; S317-E320 PolarHBondContact OG-OE1 3.47Å
318W35.6Very low42Very low135 Ų135121.1 Ų121.151%0.51164%0.635SS.*SBendtrans-91.498.7170.7-81.474000109.1W355 E653W318-W355 AromaticContact CH2-CE3 3.53Å; W318-W355 HydrophobicContact CH2-CE3 3.53Å; W318-W355 AromaticContact CH2-CZ3 3.74Å; W318-W355 HydrophobicContact CH2-CZ3 3.74Å; W318-W355 AromaticContact CZ2-CE3 3.92Å; W318-W355 HydrophobicContact CZ2-CE3 3.92Å; W318-W355 AromaticContact CZ2-CZ3 3.65Å; W318-W355 HydrophobicContact CZ2-CZ3 3.65Å; W318-W355 HydrophobicContact CZ3-CE3 4.21Å; W318-E653 HydrophobicContact CE3-CB 4.48Å; W318-E653 HydrophobicContact CE3-CG 4.44Å; W318-E653 HydrophobicContact CH2-CB 4.48Å; W318-E653 HydrophobicContact CZ3-CB 3.78Å; W318-E653 HydrophobicContact CZ3-CG 3.88Å
319N37.6Very low45.1Very low79 Ų79111.8 Ų111.842%0.42259%0.592SS.*  trans5967.2176.4-16416.2000114.2S317 N321S317-N319 PolarHBondContact O-N 3Å; N319-N321 PolarHBondContact O-N 3.25Å
320E33.8Very low47.9Very low159 Ų159105.6 Ų105.674%0.74357%0.569SS**SBendtrans-60-10-177.3-155.4150.9-93.600115.6S317 P322S317-E320 WeakPolarHBondContact CB-OE1 3.46Å; S317-E320 VanDerWaalsContact OG-CB 3.29Å; S317-E320 WeakPolarHBondContact OG-CB 3.48Å; S317-E320 VanDerWaalsContact OG-CD 3.28Å; S317-E320 WeakPolarHBondContact OG-CG 3.24Å; S317-E320 PolarHBondContact OG-OE1 3.47Å; E320-P322 WeakPolarHBondContact O-CD 3.44Å
321N39.8Very low50.9Low103 Ų103100.9 Ų100.955%0.55154%0.536SS*.  trans-104.9100.1-180-141.7-34.4000109.6N319 S323 S324N319-N321 PolarHBondContact O-N 3.25Å; N321-S323 PolarHBondContact O-N 2.91Å; N321-S324 PolarHBondContact O-N 2.92Å; N321-S324 VanDerWaalsContact O-N 3.15Å
322P37.4Very low54Low84 Ų8497.6 Ų97.655%0.54552%0.516SS..THydrogen-bonded Turntrans-66.3-11.9-164.125.6-35.4000114.8E320 K361E320-P322 WeakPolarHBondContact O-CD 3.44Å; P322-K361 PolarHBondContact O-NZ 3.49Å
323S41.4Very low57Low99 Ų9994 Ų9469%0.69249%0.494SS*.THydrogen-bonded Turntrans-105.2-2.1-177-49.10000114.2N321 R325N321-S323 PolarHBondContact O-N 2.91Å; S323-R325 PolarHBondContact O-N 3.06Å
324S52.7Low60.2Low48 Ų4888.1 Ų88.134%0.33646%0.456SS..PPolyproline II helixtrans-65.7126.4180-74.20000111.8N321 Q364N321-S324 PolarHBondContact O-N 2.92Å; N321-S324 VanDerWaalsContact O-N 3.15Å; S324-Q364 PolarHBondContact O-NE2 3.26Å
325R62.3Low63.2Low222 Ų22281 Ų8184%0.83841%0.412SS*.PPolyproline II helixtrans-62.2145.8161.7-64.2-175.7-172.21703.9108.9S323S323-R325 PolarHBondContact O-N 3.06Å
326L75.9Confident66.3Low30 Ų3084.5 Ų84.516%0.15742%0.415CS..PPolyproline II helixtrans-67144.4168-67.9170.7000109.3Q364 C368L326-Q364 HydrophobicContact CD1-CB 4.08Å; L326-C368 WeakPolarHBondContact CD1-SG 3.28Å
327F85.1Confident69.3Low54 Ų5477 Ų7724%0.23738%0.383CS..PPolyproline II helixtrans-73.5145174.256.5-89.6000110.4L329 R356 E653 L656 K657 A661F327-L329 HydrophobicContact CD2-CD2 3.95Å; F327-L329 HydrophobicContact CE2-CD2 3.53Å; F327-R356 VanDerWaalsContact CE1-NH2 3.27Å; F327-R356 PolarHBondContact O-NH1 3.25Å; F327-R356 PolarHBondContact O-NH2 2.93Å; F327-E653 VanDerWaalsContact CE1-OE2 3.26Å; F327-E653 WeakPolarHBondContact CE1-OE2 3.34Å; F327-E653 VanDerWaalsContact CZ-OE2 3.22Å; F327-E653 WeakPolarHBondContact CZ-OE2 3.34Å; F327-L656 HydrophobicContact CE2-CB 4.07Å; F327-L656 WeakPolarHBondContact CE2-O 3.44Å; F327-L656 HydrophobicContact CZ-CB 3.94Å; F327-K657 HydrophobicContact CD1-CG 4.38Å; F327-K657 HydrophobicContact CE1-CB 3.76Å; F327-K657 HydrophobicContact CE1-CD 4.41Å; F327-K657 HydrophobicContact CE1-CG 4.01Å; F327-K657 HydrophobicContact CE2-CB 4.06Å; F327-K657 HydrophobicContact CZ-CB 3.46Å; F327-K657 VanDerWaalsContact CZ-CB 3.46Å; F327-K657 HydrophobicContact CZ-CG 4.09Å; F327-K657 VanDerWaalsContact CZ-N 3.31Å; F327-A661 HydrophobicContact CD2-CB 3.54Å; F327-A661 HydrophobicContact CE2-CB 3.93Å; F327-A661 HydrophobicContact CG-CB 4.31Å
328E87.6Confident72.3Confident110 Ų11073.9 Ų73.951%0.51436%0.362SS..PPolyproline II helixtrans-73.3147.7179.7-159.9168.4-156.100110.9A661 M662E328-A661 WeakPolarHBondContact O-CA 3.29Å; E328-M662 HydrophobicContact CB-CE 4.28Å; E328-M662 HydrophobicContact CG-CE 3.79Å; E328-M662 PolarHBondContact O-N 2.67Å; E328-M662 WeakPolarHBondContact OE2-CE 3.38Å
329L92Very high74.8Confident2 Ų269.4 Ų69.41%0.0135%0.346CS..BIsolated β-bridgetrans-108144.6-176.6-58.2175.8000111F327 Y331 I334 L353 F372 L656 Y660F327-L329 HydrophobicContact CD2-CD2 3.95Å; F327-L329 HydrophobicContact CE2-CD2 3.53Å; L329-Y331 HydrophobicContact CB-CD1 4.43Å; L329-Y331 HydrophobicContact CB-CD2 4.34Å; L329-Y331 HydrophobicContact CB-CE1 4.05Å; L329-Y331 HydrophobicContact CB-CE2 3.96Å; L329-Y331 HydrophobicContact CD1-CE1 3.94Å; L329-Y331 WeakPolarHBondContact O-CD2 3.43Å; L329-Y331 WeakPolarHBondContact O-CE2 3.48Å; L329-Y331 PolarHBondContact O-N 3.3Å; L329-I334 HydrophobicContact CB-CD1 3.88Å; L329-I334 HydrophobicContact CD1-CD1 3.91Å; L329-I334 HydrophobicContact CG-CD1 4.39Å; L329-L353 HydrophobicContact CD1-CD2 4.42Å; L329-F372 HydrophobicContact CD1-CE1 4.4Å; L329-L656 HydrophobicContact CD1-CD1 4.44Å; L329-L656 HydrophobicContact CD1-CD2 4.45Å; L329-L656 HydrophobicContact CD2-CB 4.06Å; L329-Y660 CarbonylContact C-O 3.5Å; L329-Y660 VanDerWaalsContact CA-O 3.32Å; L329-Y660 WeakPolarHBondContact CA-O 3.38Å
330N93.1Very high77.2Confident66 Ų6673.3 Ų73.335%0.35336%0.364SS..  trans-76.288.8164.1-173.2-21.1000109.5E332 K333 I334 Y660 M662N330-E332 VanDerWaalsContact C-N 3.34Å; N330-E332 PolarHBondContact O-N 3.12Å; N330-E332 PolarHBondContact OD1-N 2.56Å; N330-K333 HydrophobicContact CB-CB 3.99Å; N330-K333 VanDerWaalsContact CG-CB 3.47Å; N330-K333 PolarHBondContact O-N 3.24Å; N330-K333 PolarHBondContact OD1-N 3.11Å; N330-I334 WeakPolarHBondContact O-CG1 3.19Å; N330-I334 PolarHBondContact O-N 2.95Å; N330-I334 VanDerWaalsContact O-N 3.08Å; N330-Y660 PolarHBondContact N-O 2.73Å; N330-M662 HydrophobicContact CB-CG 4.07Å
331Y93.7Very high79.8Confident9 Ų967 Ų674%0.03534%0.335CS..Hα-helixtrans-65-32.8-177.4-69.2-75.5000113.7L329 I334 K335 S371 F372 N375 I377L329-Y331 HydrophobicContact CB-CD1 4.43Å; L329-Y331 HydrophobicContact CB-CD2 4.34Å; L329-Y331 HydrophobicContact CB-CE1 4.05Å; L329-Y331 HydrophobicContact CB-CE2 3.96Å; L329-Y331 HydrophobicContact CD1-CE1 3.94Å; L329-Y331 WeakPolarHBondContact O-CD2 3.43Å; L329-Y331 WeakPolarHBondContact O-CE2 3.48Å; L329-Y331 PolarHBondContact O-N 3.3Å; Y331-I334 HydrophobicContact CD1-CD1 4.25Å; Y331-I334 WeakPolarHBondContact O-CB 3.49Å; Y331-I334 PolarHBondContact O-N 3.23Å; Y331-K335 VanDerWaalsContact O-CG 3.31Å; Y331-K335 WeakPolarHBondContact O-CG 3.46Å; Y331-K335 PolarHBondContact O-N 3.45Å; Y331-S371 WeakPolarHBondContact OH-CB 3.42Å; Y331-F372 AromaticContact CE1-CD1 3.62Å; Y331-F372 HydrophobicContact CE1-CD1 3.62Å; Y331-F372 AromaticContact CE1-CE1 3.85Å; Y331-F372 HydrophobicContact CE1-CE1 3.85Å; Y331-N375 HydrophobicContact CD1-CB 4.23Å; Y331-N375 HydrophobicContact CD2-CB 3.82Å; Y331-N375 VanDerWaalsContact CD2-ND2 3.3Å; Y331-N375 WeakPolarHBondContact CD2-ND2 3.29Å; Y331-N375 HydrophobicContact CG-CB 3.63Å; Y331-I377 HydrophobicContact CD1-CD1 3.93Å; Y331-I377 HydrophobicContact CD1-CG1 4.23Å; Y331-I377 HydrophobicContact CE1-CD1 3.99Å
332E91.1Very high82.2Confident95 Ų9565.8 Ų65.844%0.44433%0.328SS..Hα-helixtrans-69.8-41.2176.3-65.8-56.8120.400111.1N330 I334 K335 E336N330-E332 VanDerWaalsContact C-N 3.34Å; N330-E332 PolarHBondContact O-N 3.12Å; N330-E332 PolarHBondContact OD1-N 2.56Å; E332-I334 VanDerWaalsContact C-N 3.31Å; E332-I334 PolarHBondContact O-N 2.9Å; E332-K335 WeakPolarHBondContact O-CB 3.26Å; E332-K335 PolarHBondContact O-N 3.38Å; E332-K335 VanDerWaalsContact O-N 3.11Å; E332-K335 WeakPolarHBondContact OE1-CD 3.38Å; E332-K335 VanDerWaalsContact OE1-CE 3.32Å; E332-K335 WeakPolarHBondContact OE1-CE 3.3Å; E332-K335 IonicContact OE1-NZ 3.43Å; E332-K335 PolarHBondContact OE1-NZ 3.36Å; E332-E336 WeakPolarHBondContact O-CG 3.5Å; E332-E336 PolarHBondContact O-N 2.85Å
333K94Very high84.7Confident76 Ų7663.9 Ų63.933%0.3331%0.313SS..Hα-helixtrans-56.7-44.6169.8-179.6179.6173.4-176.40111.5N330 K335 E336 D337 D659 Y660N330-K333 HydrophobicContact CB-CB 3.99Å; N330-K333 VanDerWaalsContact CG-CB 3.47Å; N330-K333 PolarHBondContact O-N 3.24Å; N330-K333 PolarHBondContact OD1-N 3.11Å; K333-K335 VanDerWaalsContact C-N 3.3Å; K333-K335 PolarHBondContact O-N 3.43Å; K333-E336 PolarHBondContact O-N 3.33Å; K333-D337 WeakPolarHBondContact CE-OD2 3.41Å; K333-D337 VanDerWaalsContact CG-OD2 3.25Å; K333-D337 WeakPolarHBondContact CG-OD2 3.42Å; K333-D337 VanDerWaalsContact O-CB 3.31Å; K333-D337 WeakPolarHBondContact O-CB 3.46Å; K333-D337 PolarHBondContact O-N 3.45Å; K333-D659 WeakPolarHBondContact CE-O 3.39Å; K333-D659 PolarHBondContact NZ-O 2.76Å; K333-Y660 HydrophobicContact CD-CD1 4.09Å; K333-Y660 HydrophobicContact CD-CE1 4.29Å; K333-Y660 HydrophobicContact CG-CD1 4.07Å; K333-Y660 HydrophobicContact CG-CE1 4.09Å
334I95.2Very high87Confident0 Ų061.1 Ų61.10%029%0.288CS..Hα-helixtrans-56.5-44.7176-70.8165.7000111.1L329 N330 Y331 E332 I338 L349 L353 Y660L329-I334 HydrophobicContact CB-CD1 3.88Å; L329-I334 HydrophobicContact CD1-CD1 3.91Å; L329-I334 HydrophobicContact CG-CD1 4.39Å; N330-I334 WeakPolarHBondContact O-CG1 3.19Å; N330-I334 PolarHBondContact O-N 2.95Å; N330-I334 VanDerWaalsContact O-N 3.08Å; Y331-I334 HydrophobicContact CD1-CD1 4.25Å; Y331-I334 WeakPolarHBondContact O-CB 3.49Å; Y331-I334 PolarHBondContact O-N 3.23Å; E332-I334 VanDerWaalsContact C-N 3.31Å; E332-I334 PolarHBondContact O-N 2.9Å; I334-I338 HydrophobicContact CG2-CD1 3.86Å; I334-I338 WeakPolarHBondContact O-CB 3.19Å; I334-I338 WeakPolarHBondContact O-CD1 3.27Å; I334-I338 WeakPolarHBondContact O-CG1 3.28Å; I334-I338 PolarHBondContact O-N 3.19Å; I334-L349 HydrophobicContact CG2-CD2 4.42Å; I334-L353 HydrophobicContact CD1-CD2 4.29Å; I334-L353 HydrophobicContact CG2-CD1 3.95Å; I334-Y660 HydrophobicContact CB-CD1 4.39Å; I334-Y660 HydrophobicContact CD1-CD1 4.29Å; I334-Y660 HydrophobicContact CD1-CG 4.27Å; I334-Y660 HydrophobicContact CG1-CD1 3.32Å; I334-Y660 HydrophobicContact CG1-CE1 3.89Å; I334-Y660 HydrophobicContact CG1-CG 3.74Å
335K93.2Very high88.8Confident2 Ų262 Ų621%0.00929%0.285CS..Hα-helixtrans-67.4-38.5179.1-67169.6-176-173.40113Y331 E332 K333 K339 N375 D376 D379 P395Y331-K335 VanDerWaalsContact O-CG 3.31Å; Y331-K335 WeakPolarHBondContact O-CG 3.46Å; Y331-K335 PolarHBondContact O-N 3.45Å; E332-K335 WeakPolarHBondContact O-CB 3.26Å; E332-K335 PolarHBondContact O-N 3.38Å; E332-K335 VanDerWaalsContact O-N 3.11Å; E332-K335 WeakPolarHBondContact OE1-CD 3.38Å; E332-K335 VanDerWaalsContact OE1-CE 3.32Å; E332-K335 WeakPolarHBondContact OE1-CE 3.3Å; E332-K335 IonicContact OE1-NZ 3.43Å; E332-K335 PolarHBondContact OE1-NZ 3.36Å; K333-K335 VanDerWaalsContact C-N 3.3Å; K333-K335 PolarHBondContact O-N 3.43Å; K335-K339 WeakPolarHBondContact O-CD 3.41Å; K335-K339 WeakPolarHBondContact O-CE 3.44Å; K335-K339 VanDerWaalsContact O-CG 3.26Å; K335-K339 WeakPolarHBondContact O-CG 3.37Å; K335-N375 VanDerWaalsContact CE-O 3.26Å; K335-N375 WeakPolarHBondContact CE-O 3.31Å; K335-N375 PolarHBondContact NZ-O 3.5Å; K335-D376 WeakPolarHBondContact CE-O 3.42Å; K335-D376 PolarHBondContact NZ-O 2.91Å; K335-D379 WeakPolarHBondContact CD-OD1 3.47Å; K335-D379 VanDerWaalsContact CE-OD1 3.26Å; K335-D379 WeakPolarHBondContact CE-OD1 3.26Å; K335-D379 IonicContact NZ-OD1 3.46Å; K335-D379 PolarHBondContact NZ-OD1 3.31Å; K335-P395 HydrophobicContact CB-CG 4.13Å; K335-P395 HydrophobicContact CG-CG 4Å
336E91Very high90.2Very high128 Ų12851.8 Ų51.860%0.59825%0.247SC*.Hα-helixtrans-69.7-49176.8-70.9-175.615400111.2E332 K333 I338 K339 M340E332-E336 WeakPolarHBondContact O-CG 3.5Å; E332-E336 PolarHBondContact O-N 2.85Å; K333-E336 PolarHBondContact O-N 3.33Å; E336-I338 PolarHBondContact O-N 2.88Å; E336-K339 WeakPolarHBondContact O-CA 3.43Å; E336-K339 WeakPolarHBondContact O-CB 3.45Å; E336-K339 PolarHBondContact O-N 2.97Å; E336-M340 PolarHBondContact O-N 3.22Å; E336-M340 VanDerWaalsContact O-N 3.08Å
337D92.6Very high91.1Very high47 Ų4750.5 Ų50.525%0.25124%0.24SC..Hα-helixtrans-63.9-39.4-178.8-81.2-29.1000111.6K333 K339 M340 M341 Y660K333-D337 WeakPolarHBondContact CE-OD2 3.41Å; K333-D337 VanDerWaalsContact CG-OD2 3.25Å; K333-D337 WeakPolarHBondContact CG-OD2 3.42Å; K333-D337 VanDerWaalsContact O-CB 3.31Å; K333-D337 WeakPolarHBondContact O-CB 3.46Å; K333-D337 PolarHBondContact O-N 3.45Å; D337-K339 PolarHBondContact O-N 3.46Å; D337-M340 PolarHBondContact O-N 3.36Å; D337-M340 VanDerWaalsContact O-N 3.13Å; D337-M341 HydrophobicContact CB-CE 3.6Å; D337-M341 VanDerWaalsContact O-CB 3.24Å; D337-M341 WeakPolarHBondContact O-CB 3.28Å; D337-M341 WeakPolarHBondContact O-CG 3.13Å; D337-M341 PolarHBondContact O-N 2.8Å; D337-Y660 HydrophobicContact CB-CE1 4.19Å; D337-Y660 WeakPolarHBondContact OD2-CE1 3.43Å
338I92.9Very high91.4Very high4 Ų448.1 Ų48.12%0.02123%0.23CC..Hα-helixtrans-54.6-35.7172.3-75.1168.5000111.8I334 E336 K346 L349 L353 P395 Y398 C399I334-I338 HydrophobicContact CG2-CD1 3.86Å; I334-I338 WeakPolarHBondContact O-CB 3.19Å; I334-I338 WeakPolarHBondContact O-CD1 3.27Å; I334-I338 WeakPolarHBondContact O-CG1 3.28Å; I334-I338 PolarHBondContact O-N 3.19Å; E336-I338 PolarHBondContact O-N 2.88Å; I338-K346 VanDerWaalsContact O-CE 3.27Å; I338-K346 WeakPolarHBondContact O-CE 3.38Å; I338-L349 HydrophobicContact CD1-CD2 4.18Å; I338-L349 HydrophobicContact CG1-CD2 3.56Å; I338-L349 HydrophobicContact CG1-CG 4.41Å; I338-L353 HydrophobicContact CD1-CD1 4.48Å; I338-P395 HydrophobicContact CD1-CB 4.42Å; I338-P395 HydrophobicContact CG2-CB 4.07Å; I338-Y398 HydrophobicContact CG2-CD1 4.47Å; I338-Y398 VanDerWaalsContact O-CE1 3.26Å; I338-Y398 WeakPolarHBondContact O-CE1 3.35Å; I338-C399 VanDerWaalsContact CG2-SG 3.58Å
339K89Confident91.7Very high41 Ų4143 Ų4318%0.17821%0.206CC..Hα-helixtrans-79.1-30.8-178.8-64.3161.6-163.4171.60112K335 E336 D337 D379 H393 Y398K335-K339 WeakPolarHBondContact O-CD 3.41Å; K335-K339 WeakPolarHBondContact O-CE 3.44Å; K335-K339 VanDerWaalsContact O-CG 3.26Å; K335-K339 WeakPolarHBondContact O-CG 3.37Å; E336-K339 WeakPolarHBondContact O-CA 3.43Å; E336-K339 WeakPolarHBondContact O-CB 3.45Å; E336-K339 PolarHBondContact O-N 2.97Å; D337-K339 PolarHBondContact O-N 3.46Å; K339-D379 IonicContact NZ-OD2 2.77Å; K339-D379 PolarHBondContact NZ-OD2 2.89Å; K339-D379 VanDerWaalsContact NZ-OD2 3.15Å; K339-H393 VanDerWaalsContact CE-O 3.26Å; K339-H393 WeakPolarHBondContact CE-O 3.44Å; K339-H393 PolarHBondContact NZ-O 3.25Å; K339-Y398 PolarHBondContact O-OH 3.12Å
340M88Confident91.9Very high161 Ų16142.9 Ų42.979%0.79321%0.205SC*.Hα-helixtrans-105.2-24.4-171.4-60.8-58.7177.500115.5E336 D337E336-M340 PolarHBondContact O-N 3.22Å; E336-M340 VanDerWaalsContact O-N 3.08Å; D337-M340 PolarHBondContact O-N 3.36Å; D337-M340 VanDerWaalsContact O-N 3.13Å
341M88.5Confident91.9Very high27 Ų2739.8 Ų39.813%0.13319%0.189CC..SBendtrans-74.5170.8-173.474.3174.154.800113.8D337 K345 K346 L349 Y660D337-M341 HydrophobicContact CB-CE 3.6Å; D337-M341 VanDerWaalsContact O-CB 3.24Å; D337-M341 WeakPolarHBondContact O-CB 3.28Å; D337-M341 WeakPolarHBondContact O-CG 3.13Å; D337-M341 PolarHBondContact O-N 2.8Å; M341-K345 HydrophobicContact CB-CB 4.22Å; M341-K345 HydrophobicContact CE-CB 4.41Å; M341-K345 HydrophobicContact CG-CB 4.02Å; M341-K345 HydrophobicContact SD-CB 3.34Å; M341-K345 WeakPolarHBondContact SD-CB 3.32Å; M341-K346 HydrophobicContact CG-CD 4.4Å; M341-K346 HydrophobicContact CG-CG 3.46Å; M341-K346 VanDerWaalsContact CG-CG 3.46Å; M341-K346 WeakPolarHBondContact O-CE 3.44Å; M341-K346 PolarHBondContact O-NZ 3.31Å; M341-K346 VanDerWaalsContact SD-CA 3.55Å; M341-K346 HydrophobicContact SD-CB 4.26Å; M341-K346 HydrophobicContact SD-CG 3.72Å; M341-K346 PolarHBondContact SD-N 3.19Å; M341-L349 HydrophobicContact CE-CB 4.43Å; M341-L349 HydrophobicContact CE-CD2 3.52Å; M341-L349 HydrophobicContact SD-CD2 4.39Å; M341-Y660 WeakPolarHBondContact CE-OH 3.41Å
342N89.5Confident91.9Very high76 Ų7639.3 Ų39.341%0.40619%0.187SC..  trans-74.9157.417276.820.7000112.4R344 K345 K346N342-R344 VanDerWaalsContact C-N 3.28Å; N342-R344 PolarHBondContact O-N 3.3Å; N342-R344 PolarHBondContact OD1-N 3.34Å; N342-K345 PolarHBondContact O-N 2.77Å; N342-K345 VanDerWaalsContact O-N 3.15Å; N342-K345 WeakPolarHBondContact OD1-CB 3.26Å; N342-K345 WeakPolarHBondContact OD1-CG 3.22Å; N342-K345 PolarHBondContact OD1-N 3.36Å; N342-K346 PolarHBondContact O-N 2.73Å; N342-K346 VanDerWaalsContact O-N 3.11Å
343D90.8Very high92.1Very high45 Ų4534.9 Ų34.924%0.24117%0.166CC..Hα-helixtrans-65.4-27.9-172.3-69.6-27.5000113.9K346 C347 H404 V407D343-K346 PolarHBondContact O-N 3.24Å; D343-K346 WeakPolarHBondContact OD1-CD 3.44Å; D343-K346 WeakPolarHBondContact OD1-CE 3.49Å; D343-K346 IonicContact OD1-NZ 3.26Å; D343-K346 PolarHBondContact OD1-NZ 2.86Å; D343-C347 PolarHBondContact O-N 2.98Å; D343-C347 PolarHBondContact O-SG 2.88Å; D343-H404 HydrophobicContact CB-CB 4.12Å; D343-H404 WeakPolarHBondContact OD2-CB 3.35Å; D343-H404 IonicContact OD2-CD2 2.67Å; D343-H404 IonicContact OD2-CG 3.42Å; D343-V407 HydrophobicContact CB-CG2 3.61Å
344R89Confident92.1Very high41 Ų4131.3 Ų31.316%0.15515%0.15CC..Hα-helixtrans-62.9-46.7173.5-161.778.6175.1136.1-4.7110.8N342 C347 Y348 D633 L637N342-R344 VanDerWaalsContact C-N 3.28Å; N342-R344 PolarHBondContact O-N 3.3Å; N342-R344 PolarHBondContact OD1-N 3.34Å; R344-C347 PolarHBondContact O-N 3.12Å; R344-Y348 HydrophobicContact CG-CE2 4.21Å; R344-Y348 WeakPolarHBondContact O-CD2 3.46Å; R344-Y348 PolarHBondContact O-N 3.24Å; R344-D633 IonicContact CZ-OD1 3.35Å; R344-D633 IonicContact CZ-OD2 3.77Å; R344-D633 IonicContact NE-OD1 2.98Å; R344-D633 PolarHBondContact NE-OD1 3.35Å; R344-D633 IonicContact NE-OD2 2.74Å; R344-D633 IonicContact NH2-OD1 2.69Å; R344-D633 PolarHBondContact NH2-OD1 3.21Å; R344-D633 IonicContact NH2-OD2 3.74Å; R344-D633 PolarHBondContact NH2-OD2 2.85Å; R344-L637 HydrophobicContact CB-CD2 4.08Å; R344-L637 HydrophobicContact CG-CD2 3.94Å
345K90.1Very high91.9Very high65 Ų6532.9 Ų32.928%0.28316%0.156SC..Hα-helixtrans-64.1-37.8174.5-71.7-176.7179.2-1730112.2M341 N342 C347 Y348 L349 L637M341-K345 HydrophobicContact CB-CB 4.22Å; M341-K345 HydrophobicContact CE-CB 4.41Å; M341-K345 HydrophobicContact CG-CB 4.02Å; M341-K345 HydrophobicContact SD-CB 3.34Å; M341-K345 WeakPolarHBondContact SD-CB 3.32Å; N342-K345 PolarHBondContact O-N 2.77Å; N342-K345 VanDerWaalsContact O-N 3.15Å; N342-K345 WeakPolarHBondContact OD1-CB 3.26Å; N342-K345 WeakPolarHBondContact OD1-CG 3.22Å; N342-K345 PolarHBondContact OD1-N 3.36Å; K345-C347 VanDerWaalsContact C-N 3.27Å; K345-C347 PolarHBondContact O-N 3.43Å; K345-Y348 PolarHBondContact O-N 2.75Å; K345-L349 PolarHBondContact O-N 2.91Å; K345-L637 HydrophobicContact CD-CD2 4.39Å; K345-L637 WeakPolarHBondContact CE-O 3.39Å; K345-L637 HydrophobicContact CG-CD2 3.46Å; K345-L637 VanDerWaalsContact CG-CD2 3.46Å; K345-L637 PolarHBondContact NZ-O 3.32Å
346K92.8Very high91.9Very high9 Ų933 Ų334%0.03916%0.157CC..Hα-helixtrans-58.6-42.1177.6-64.5175.3-161.1156.70111.1I338 M341 N342 D343 L349 L350 Y398 V407I338-K346 VanDerWaalsContact O-CE 3.27Å; I338-K346 WeakPolarHBondContact O-CE 3.38Å; M341-K346 HydrophobicContact CG-CD 4.4Å; M341-K346 HydrophobicContact CG-CG 3.46Å; M341-K346 VanDerWaalsContact CG-CG 3.46Å; M341-K346 WeakPolarHBondContact O-CE 3.44Å; M341-K346 PolarHBondContact O-NZ 3.31Å; M341-K346 VanDerWaalsContact SD-CA 3.55Å; M341-K346 HydrophobicContact SD-CB 4.26Å; M341-K346 HydrophobicContact SD-CG 3.72Å; M341-K346 PolarHBondContact SD-N 3.19Å; N342-K346 PolarHBondContact O-N 2.73Å; N342-K346 VanDerWaalsContact O-N 3.11Å; D343-K346 PolarHBondContact O-N 3.24Å; D343-K346 WeakPolarHBondContact OD1-CD 3.44Å; D343-K346 WeakPolarHBondContact OD1-CE 3.49Å; D343-K346 IonicContact OD1-NZ 3.26Å; D343-K346 PolarHBondContact OD1-NZ 2.86Å; K346-L349 PolarHBondContact O-N 3.27Å; K346-L350 VanDerWaalsContact O-CB 3.32Å; K346-L350 WeakPolarHBondContact O-CB 3.37Å; K346-L350 WeakPolarHBondContact O-CG 3.34Å; K346-L350 PolarHBondContact O-N 3.28Å; K346-Y398 HydrophobicContact CD-CE1 4.43Å; K346-V407 HydrophobicContact CB-CG1 4.28Å; K346-V407 HydrophobicContact CB-CG2 4.17Å; K346-V407 HydrophobicContact CD-CG1 4.12Å; K346-V407 HydrophobicContact CD-CG2 4.37Å
347C93.4Very high91.9Very high2 Ų227 Ų271%0.01413%0.129CC..Hα-helixtrans-60.9-49177.4-60.40000111.5D343 R344 K345 L350 Q351 Y410 L626D343-C347 PolarHBondContact O-N 2.98Å; D343-C347 PolarHBondContact O-SG 2.88Å; R344-C347 PolarHBondContact O-N 3.12Å; K345-C347 VanDerWaalsContact C-N 3.27Å; K345-C347 PolarHBondContact O-N 3.43Å; C347-L350 PolarHBondContact O-N 3.5Å; C347-Q351 VanDerWaalsContact O-CB 3.24Å; C347-Q351 WeakPolarHBondContact O-CB 3.32Å; C347-Q351 PolarHBondContact O-N 3.42Å; C347-Y410 HydrophobicContact CB-CD2 3.75Å; C347-Y410 HydrophobicContact CB-CE2 4.19Å; C347-Y410 HydrophobicContact CB-CG 4.17Å; C347-L626 HydrophobicContact CB-CD1 3.71Å
348Y92.1Very high91.8Very high5 Ų525.8 Ų25.82%0.0212%0.123CC..Hα-helixtrans-65.7-37.5178.3-72.9-63.5000113.4R344 K345 A352 L626 P627 P629 L637 V651R344-Y348 HydrophobicContact CG-CE2 4.21Å; R344-Y348 WeakPolarHBondContact O-CD2 3.46Å; R344-Y348 PolarHBondContact O-N 3.24Å; K345-Y348 PolarHBondContact O-N 2.75Å; Y348-A352 VanDerWaalsContact O-CB 3.24Å; Y348-A352 WeakPolarHBondContact O-CB 3.44Å; Y348-A352 PolarHBondContact O-N 3.03Å; Y348-L626 HydrophobicContact CE1-CB 4.14Å; Y348-L626 HydrophobicContact CE1-CD1 4.49Å; Y348-P627 WeakPolarHBondContact CE1-O 3.22Å; Y348-P627 PolarHBondContact OH-O 3.21Å; Y348-P629 HydrophobicContact CE2-CB 4.27Å; Y348-L637 HydrophobicContact CD2-CD1 4.44Å; Y348-L637 HydrophobicContact CE2-CD1 4.18Å; Y348-V651 HydrophobicContact CD1-CG2 4.46Å; Y348-V651 HydrophobicContact CE1-CG2 4.44Å
349L94.2Very high91.6Very high1 Ų130.1 Ų30.11%0.00514%0.142CC..Hα-helixtrans-67.9-44.6175.4177.856.4000112.1I334 I338 M341 K345 K346 A352 L353 L655 L656 Y660I334-L349 HydrophobicContact CG2-CD2 4.42Å; I338-L349 HydrophobicContact CD1-CD2 4.18Å; I338-L349 HydrophobicContact CG1-CD2 3.56Å; I338-L349 HydrophobicContact CG1-CG 4.41Å; M341-L349 HydrophobicContact CE-CB 4.43Å; M341-L349 HydrophobicContact CE-CD2 3.52Å; M341-L349 HydrophobicContact SD-CD2 4.39Å; K345-L349 PolarHBondContact O-N 2.91Å; K346-L349 PolarHBondContact O-N 3.27Å; L349-A352 PolarHBondContact O-N 3.02Å; L349-A352 VanDerWaalsContact O-N 3.14Å; L349-L353 HydrophobicContact CD1-CD1 4.29Å; L349-L353 HydrophobicContact CD1-CG 4.21Å; L349-L353 HydrophobicContact CG-CD1 4.3Å; L349-L353 WeakPolarHBondContact O-CG 3.46Å; L349-L353 PolarHBondContact O-N 2.98Å; L349-L655 HydrophobicContact CB-CD2 4.49Å; L349-L656 HydrophobicContact CD1-CD2 4.04Å; L349-Y660 HydrophobicContact CD1-CD2 4.16Å; L349-Y660 HydrophobicContact CD1-CE2 3.7Å; L349-Y660 HydrophobicContact CD2-CE1 4.49Å; L349-Y660 HydrophobicContact CD2-CE2 4.48Å
350L95.1Very high91.4Very high1 Ų128.8 Ų28.81%0.00514%0.137CC..Hα-helixtrans-65.7-40.1176.5-69.8169.9000111.7K346 C347 A352 R354 M411 F414K346-L350 VanDerWaalsContact O-CB 3.32Å; K346-L350 WeakPolarHBondContact O-CB 3.37Å; K346-L350 WeakPolarHBondContact O-CG 3.34Å; K346-L350 PolarHBondContact O-N 3.28Å; C347-L350 PolarHBondContact O-N 3.5Å; L350-A352 VanDerWaalsContact C-N 3.29Å; L350-A352 PolarHBondContact O-N 3.43Å; L350-R354 WeakPolarHBondContact O-CB 3.42Å; L350-R354 PolarHBondContact O-N 3.13Å; L350-M411 HydrophobicContact CD1-CB 4.27Å; L350-M411 HydrophobicContact CD1-CE 4.37Å; L350-M411 HydrophobicContact CD2-CE 3.56Å; L350-M411 HydrophobicContact CD2-SD 4.48Å; L350-F414 HydrophobicContact CD2-CD1 4.35Å
351Q93.9Very high91.2Very high0 Ų026 Ų260%012%0.121CC..Hα-helixtrans-56.2-44.8169.1-173.9-177.328.700110.9C347 R354 W355 Y410 D625 L626C347-Q351 VanDerWaalsContact O-CB 3.24Å; C347-Q351 WeakPolarHBondContact O-CB 3.32Å; C347-Q351 PolarHBondContact O-N 3.42Å; Q351-R354 PolarHBondContact O-N 3.18Å; Q351-W355 HydrophobicContact CG-CD2 4.46Å; Q351-W355 HydrophobicContact CG-CZ2 4.34Å; Q351-W355 WeakPolarHBondContact O-CB 3.44Å; Q351-W355 VanDerWaalsContact O-CD1 3.26Å; Q351-W355 PolarHBondContact O-N 3.46Å; Q351-Y410 HydrophobicContact CB-CD1 3.9Å; Q351-Y410 HydrophobicContact CB-CE1 3.62Å; Q351-Y410 HydrophobicContact CG-CE1 3.96Å; Q351-D625 WeakPolarHBondContact CG-OD2 3.37Å; Q351-D625 VanDerWaalsContact NE2-CG 3.27Å; Q351-D625 PolarHBondContact NE2-OD2 2.95Å; Q351-L626 PolarHBondContact NE2-O 2.74Å
352A93.5Very high90.9Very high0 Ų028.4 Ų28.40%014%0.137CC..Hα-helixtrans-69-42.1-176.900000113.4Y348 L349 L350 R354 W355 R356 G652 L655 L656Y348-A352 VanDerWaalsContact O-CB 3.24Å; Y348-A352 WeakPolarHBondContact O-CB 3.44Å; Y348-A352 PolarHBondContact O-N 3.03Å; L349-A352 PolarHBondContact O-N 3.02Å; L349-A352 VanDerWaalsContact O-N 3.14Å; L350-A352 VanDerWaalsContact C-N 3.29Å; L350-A352 PolarHBondContact O-N 3.43Å; A352-R354 VanDerWaalsContact C-N 3.3Å; A352-R354 PolarHBondContact O-N 3.49Å; A352-W355 PolarHBondContact O-N 2.68Å; A352-R356 PolarHBondContact O-N 3.12Å; A352-G652 WeakPolarHBondContact CB-O 3.44Å; A352-L655 HydrophobicContact CB-CB 4.47Å; A352-L655 HydrophobicContact CB-CD2 4.22Å; A352-L656 HydrophobicContact CB-CD1 4.47Å; A352-L656 HydrophobicContact CB-CD2 4.19Å; A352-L656 HydrophobicContact CB-CG 4Å
353L95Very high90.3Very high1 Ų129.4 Ų29.41%0.00515%0.15CC..Hα-helixtrans-62.2-37.3172-67.6172.3000111.8L329 I334 I338 L349 F372 I377 F414 L656L329-L353 HydrophobicContact CD1-CD2 4.42Å; I334-L353 HydrophobicContact CD1-CD2 4.29Å; I334-L353 HydrophobicContact CG2-CD1 3.95Å; I338-L353 HydrophobicContact CD1-CD1 4.48Å; L349-L353 HydrophobicContact CD1-CD1 4.29Å; L349-L353 HydrophobicContact CD1-CG 4.21Å; L349-L353 HydrophobicContact CG-CD1 4.3Å; L349-L353 WeakPolarHBondContact O-CG 3.46Å; L349-L353 PolarHBondContact O-N 2.98Å; L353-F372 HydrophobicContact CB-CZ 4.46Å; L353-F372 HydrophobicContact CD2-CE1 4.31Å; L353-F372 HydrophobicContact CD2-CZ 3.97Å; L353-I377 HydrophobicContact CD1-CD1 4.07Å; L353-I377 HydrophobicContact CD2-CD1 3.89Å; L353-F414 HydrophobicContact CB-CD2 4.37Å; L353-F414 HydrophobicContact CB-CE2 3.81Å; L353-F414 HydrophobicContact CB-CZ 3.91Å; L353-L656 HydrophobicContact CD2-CD2 3.94Å; L353-L656 HydrophobicContact CG-CD2 4.43Å
354R94.1Very high90Very high1 Ų128.6 Ų28.60%0.00415%0.145CC..Hα-helixtrans-65.5-46.8171.9-160.4-168.772.2-146.7-29111.5L350 Q351 A352 R356 L357 T358 R413 F414 A417 L621 D622 D625L350-R354 WeakPolarHBondContact O-CB 3.42Å; L350-R354 PolarHBondContact O-N 3.13Å; Q351-R354 PolarHBondContact O-N 3.18Å; A352-R354 VanDerWaalsContact C-N 3.3Å; A352-R354 PolarHBondContact O-N 3.49Å; R354-R356 VanDerWaalsContact C-N 3.3Å; R354-R356 PolarHBondContact O-N 3.42Å; R354-L357 WeakPolarHBondContact O-CA 3.41Å; R354-L357 WeakPolarHBondContact O-CB 3.44Å; R354-L357 PolarHBondContact O-N 3.14Å; R354-T358 HydrophobicContact CG-CG2 4.12Å; R354-T358 PolarHBondContact O-N 3.29Å; R354-T358 PolarHBondContact O-OG1 3.36Å; R354-R413 WeakPolarHBondContact CD-O 3.35Å; R354-F414 HydrophobicContact CB-CD2 3.98Å; R354-F414 HydrophobicContact CG-CD2 4.37Å; R354-A417 HydrophobicContact CG-CB 3.58Å; R354-L621 PolarHBondContact NE-O 3.43Å; R354-L621 PolarHBondContact NH1-O 3.19Å; R354-D622 IonicContact CZ-OD1 3.6Å; R354-D622 IonicContact NE-OD1 3.55Å; R354-D622 PolarHBondContact NE-OD1 2.89Å; R354-D622 IonicContact NH2-OD1 3.53Å; R354-D622 PolarHBondContact NH2-OD1 3.09Å; R354-D625 IonicContact CZ-OD1 3.52Å; R354-D625 IonicContact CZ-OD2 3.74Å; R354-D625 IonicContact NH1-OD1 3.69Å; R354-D625 PolarHBondContact NH1-OD1 3.09Å; R354-D625 IonicContact NH2-OD1 2.83Å; R354-D625 PolarHBondContact NH2-OD1 2.82Å; R354-D625 IonicContact NH2-OD2 2.71Å; R354-D625 PolarHBondContact NH2-OD2 3.13Å
355W91.8Very high90Very high33 Ų3327.6 Ų27.613%0.12514%0.141CC..Hα-helixtrans-62.2-33.5-179.9-7720.7000113W318 Q351 A352 L357 T358 K359 D622 D625 V651W318-W355 AromaticContact CH2-CE3 3.53Å; W318-W355 HydrophobicContact CH2-CE3 3.53Å; W318-W355 AromaticContact CH2-CZ3 3.74Å; W318-W355 HydrophobicContact CH2-CZ3 3.74Å; W318-W355 AromaticContact CZ2-CE3 3.92Å; W318-W355 HydrophobicContact CZ2-CE3 3.92Å; W318-W355 AromaticContact CZ2-CZ3 3.65Å; W318-W355 HydrophobicContact CZ2-CZ3 3.65Å; W318-W355 HydrophobicContact CZ3-CE3 4.21Å; Q351-W355 HydrophobicContact CG-CD2 4.46Å; Q351-W355 HydrophobicContact CG-CZ2 4.34Å; Q351-W355 WeakPolarHBondContact O-CB 3.44Å; Q351-W355 VanDerWaalsContact O-CD1 3.26Å; Q351-W355 PolarHBondContact O-N 3.46Å; A352-W355 PolarHBondContact O-N 2.68Å; W355-L357 PolarHBondContact O-N 3.16Å; W355-T358 WeakPolarHBondContact CA-OG1 3.26Å; W355-T358 PolarHBondContact O-N 3.47Å; W355-K359 HydrophobicContact CB-CD 4.25Å; W355-K359 HydrophobicContact CB-CG 4.41Å; W355-K359 HydrophobicContact CD2-CD 3.85Å; W355-K359 VanDerWaalsContact CD2-CE 3.42Å; W355-K359 HydrophobicContact CE3-CD 3.88Å; W355-K359 VanDerWaalsContact CE3-NZ 3.25Å; W355-K359 HydrophobicContact CG-CD 4Å; W355-K359 HydrophobicContact CG-CG 4.47Å; W355-K359 VanDerWaalsContact CZ3-NZ 3.26Å; W355-K359 WeakPolarHBondContact O-CB 3.44Å; W355-K359 PolarHBondContact O-N 2.76Å; W355-D622 VanDerWaalsContact CD1-OD1 3.27Å; W355-D622 PolarHBondContact NE1-OD1 3.18Å; W355-D625 VanDerWaalsContact CE2-OD2 3.28Å; W355-D625 WeakPolarHBondContact CZ2-OD2 3.49Å; W355-D625 PolarHBondContact NE1-OD2 3.08Å; W355-V651 HydrophobicContact CE3-CG1 4.15Å; W355-V651 HydrophobicContact CH2-CG1 3.59Å; W355-V651 HydrophobicContact CZ2-CG1 4.25Å; W355-V651 HydrophobicContact CZ3-CG1 3.54Å
356R92.2Very high89.6Confident6 Ų628.1 Ų28.12%0.02314%0.144CC..Hα-helixtrans-61.3-22.9171.2176.4162.5-84.7-146.9-1.2113F327 A352 R354 S360 C368 F372 E653 L656F327-R356 VanDerWaalsContact CE1-NH2 3.27Å; F327-R356 PolarHBondContact O-NH1 3.25Å; F327-R356 PolarHBondContact O-NH2 2.93Å; A352-R356 PolarHBondContact O-N 3.12Å; R354-R356 VanDerWaalsContact C-N 3.3Å; R354-R356 PolarHBondContact O-N 3.42Å; R356-S360 VanDerWaalsContact O-CB 3.28Å; R356-S360 WeakPolarHBondContact O-CB 3.35Å; R356-S360 PolarHBondContact O-OG 3.3Å; R356-C368 HydrophobicContact CG-CB 4.16Å; R356-C368 VanDerWaalsContact CG-SG 3.52Å; R356-C368 PolarHBondContact O-SG 3.12Å; R356-F372 HydrophobicContact CB-CZ 4.48Å; R356-F372 HydrophobicContact CG-CZ 4.29Å; R356-E653 WeakPolarHBondContact CB-OE1 3.15Å; R356-E653 WeakPolarHBondContact CG-OE1 3.49Å; R356-E653 IonicContact CZ-OE1 3.39Å; R356-E653 IonicContact CZ-OE2 3.68Å; R356-E653 IonicContact NE-OE1 2.72Å; R356-E653 PolarHBondContact NE-OE1 2.95Å; R356-E653 IonicContact NE-OE2 3.15Å; R356-E653 PolarHBondContact NE-OE2 3.28Å; R356-E653 IonicContact NH2-OE1 2.89Å; R356-E653 IonicContact NH2-OE2 3.83Å; R356-E653 PolarHBondContact NH2-OE2 2.6Å; R356-L656 HydrophobicContact CB-CD1 3.84Å; R356-L656 HydrophobicContact CG-CD1 4.42Å
357L91Very high89.3Confident0 Ų032.9 Ų32.90%017%0.167CC..Hα-helixtrans-91.9-48.8170.3-63.1173.9000112.6R354 W355 S360 R365 C368 L369 F372 F414 L418R354-L357 WeakPolarHBondContact O-CA 3.41Å; R354-L357 WeakPolarHBondContact O-CB 3.44Å; R354-L357 PolarHBondContact O-N 3.14Å; W355-L357 PolarHBondContact O-N 3.16Å; L357-S360 PolarHBondContact O-OG 3Å; L357-R365 HydrophobicContact CD2-CG 4.27Å; L357-R365 WeakPolarHBondContact O-CD 3.26Å; L357-R365 WeakPolarHBondContact O-CG 3.48Å; L357-R365 PolarHBondContact O-NE 2.93Å; L357-C368 HydrophobicContact CD2-CB 3.75Å; L357-L369 HydrophobicContact CD2-CB 4.37Å; L357-F372 HydrophobicContact CD1-CD2 4.05Å; L357-F372 HydrophobicContact CD1-CE2 3.82Å; L357-F372 HydrophobicContact CD2-CD2 4.19Å; L357-F372 HydrophobicContact CD2-CE2 4.02Å; L357-F372 HydrophobicContact CG-CD2 4.28Å; L357-F372 HydrophobicContact CG-CE2 3.76Å; L357-F414 HydrophobicContact CD1-CE2 4.02Å; L357-L418 HydrophobicContact CD1-CD2 3.64Å; L357-L418 HydrophobicContact CD1-CG 4.15Å
358T91.2Very high89.1Confident22 Ų2233 Ų3314%0.13517%0.167CC..Hα-helixtrans-72.2-37.4-172.556.30000113.3R354 W355 A417 L617 L621 D622R354-T358 HydrophobicContact CG-CG2 4.12Å; R354-T358 PolarHBondContact O-N 3.29Å; R354-T358 PolarHBondContact O-OG1 3.36Å; W355-T358 WeakPolarHBondContact CA-OG1 3.26Å; W355-T358 PolarHBondContact O-N 3.47Å; T358-A417 HydrophobicContact CG2-CB 4.23Å; T358-L617 HydrophobicContact CG2-CD1 4.25Å; T358-L621 HydrophobicContact CG2-CB 4.21Å; T358-L621 HydrophobicContact CG2-CD1 4.39Å; T358-D622 VanDerWaalsContact CB-OD2 3.3Å; T358-D622 WeakPolarHBondContact CB-OD2 3.22Å; T358-D622 VanDerWaalsContact OG1-CG 3.25Å; T358-D622 PolarHBondContact OG1-OD1 3.11Å; T358-D622 VanDerWaalsContact OG1-OD1 3.09Å; T358-D622 PolarHBondContact OG1-OD2 3.04Å
359K88.4Confident89Confident96 Ų9632.7 Ų32.742%0.41717%0.166SC..SBendtrans-99.4-1.6-173.5-53.6-170.8-179.8-176.50114.3W355 D622W355-K359 HydrophobicContact CB-CD 4.25Å; W355-K359 HydrophobicContact CB-CG 4.41Å; W355-K359 HydrophobicContact CD2-CD 3.85Å; W355-K359 VanDerWaalsContact CD2-CE 3.42Å; W355-K359 HydrophobicContact CE3-CD 3.88Å; W355-K359 VanDerWaalsContact CE3-NZ 3.25Å; W355-K359 HydrophobicContact CG-CD 4Å; W355-K359 HydrophobicContact CG-CG 4.47Å; W355-K359 VanDerWaalsContact CZ3-NZ 3.26Å; W355-K359 WeakPolarHBondContact O-CB 3.44Å; W355-K359 PolarHBondContact O-N 2.76Å; K359-D622 WeakPolarHBondContact CE-OD2 3.49Å
360S85.9Confident88.6Confident12 Ų1234.5 Ų34.58%0.08418%0.177CC..SBendtrans-82.6151.417553.80000112.5R356 L357 R365R356-S360 VanDerWaalsContact O-CB 3.28Å; R356-S360 WeakPolarHBondContact O-CB 3.35Å; R356-S360 PolarHBondContact O-OG 3.3Å; L357-S360 PolarHBondContact O-OG 3Å; S360-R365 PolarHBondContact O-NH2 3.18Å
361K84Confident88.4Confident103 Ų10335.3 Ų35.345%0.44818%0.183SC..  trans-60.8152.7172.5-63.6-179.8-179.9-1780110.1P322 S363 Q364 R365P322-K361 PolarHBondContact O-NZ 3.49Å; K361-S363 VanDerWaalsContact C-N 3.3Å; K361-S363 PolarHBondContact O-N 2.94Å; K361-Q364 HydrophobicContact CB-CB 4.39Å; K361-Q364 HydrophobicContact CB-CG 4.33Å; K361-Q364 CarbonylContact O-C 3.56Å; K361-Q364 WeakPolarHBondContact O-CA 3.44Å; K361-Q364 WeakPolarHBondContact O-CB 3.25Å; K361-Q364 PolarHBondContact O-N 2.9Å; K361-R365 PolarHBondContact O-N 3.46Å
362V81.4Confident88.4Confident77 Ų7735.3 Ų35.347%0.46718%0.183SC..Hα-helixtrans-48.5-48.2-179.1175.80000112.9Q364 R365 E366V362-Q364 PolarHBondContact O-N 3.43Å; V362-R365 PolarHBondContact O-N 3.48Å; V362-E366 PolarHBondContact O-N 3.42Å
363S77.5Confident88.2Confident97 Ų9735.8 Ų35.868%0.67819%0.186SC*.Hα-helixtrans-68.6-30.4178.352.30000114.3K361K361-S363 VanDerWaalsContact C-N 3.3Å; K361-S363 PolarHBondContact O-N 2.94Å
364Q84.6Confident87.9Confident28 Ų2843.2 Ų43.213%0.13121%0.214CC..Hα-helixtrans-74.9-36.8173.9-72.1170.9-33.600111.2S324 L326 K361 V362 E366 H367 C368S324-Q364 PolarHBondContact O-NE2 3.26Å; L326-Q364 HydrophobicContact CD1-CB 4.08Å; K361-Q364 HydrophobicContact CB-CB 4.39Å; K361-Q364 HydrophobicContact CB-CG 4.33Å; K361-Q364 CarbonylContact O-C 3.56Å; K361-Q364 WeakPolarHBondContact O-CA 3.44Å; K361-Q364 WeakPolarHBondContact O-CB 3.25Å; K361-Q364 PolarHBondContact O-N 2.9Å; V362-Q364 PolarHBondContact O-N 3.43Å; Q364-E366 PolarHBondContact O-N 3Å; Q364-H367 WeakPolarHBondContact O-CA 3.4Å; Q364-H367 WeakPolarHBondContact O-CB 3.46Å; Q364-H367 PolarHBondContact O-N 2.72Å; Q364-C368 PolarHBondContact O-N 3.27Å; Q364-C368 PolarHBondContact O-SG 3.27Å
365R88.3Confident87.7Confident21 Ų2145.8 Ų45.88%0.07923%0.227CC..Hα-helixtrans-62.6-40.9-177.6-167.4-176-55.5131.77.8112.8L357 S360 K361 V362 H367 C368 L369 L421 S615L357-R365 HydrophobicContact CD2-CG 4.27Å; L357-R365 WeakPolarHBondContact O-CD 3.26Å; L357-R365 WeakPolarHBondContact O-CG 3.48Å; L357-R365 PolarHBondContact O-NE 2.93Å; S360-R365 PolarHBondContact O-NH2 3.18Å; K361-R365 PolarHBondContact O-N 3.46Å; V362-R365 PolarHBondContact O-N 3.48Å; R365-H367 PolarHBondContact O-N 2.85Å; R365-C368 WeakPolarHBondContact O-CB 3.46Å; R365-C368 PolarHBondContact O-N 2.8Å; R365-L369 WeakPolarHBondContact O-CB 3.36Å; R365-L369 PolarHBondContact O-N 3.15Å; R365-L421 HydrophobicContact CG-CD1 4.1Å; R365-S615 PolarHBondContact NH1-O 3.32Å
366E82.5Confident87.7Confident76 Ų7644.4 Ų44.436%0.35522%0.222SC..Hα-helixtrans-62.5-32.2172.8-82.3-53.9130.800112.5V362 Q364 T370 R423V362-E366 PolarHBondContact O-N 3.42Å; Q364-E366 PolarHBondContact O-N 3Å; E366-T370 WeakPolarHBondContact O-CB 3.25Å; E366-T370 PolarHBondContact O-N 3.25Å; E366-T370 PolarHBondContact O-OG1 3.22Å; E366-R423 IonicContact OE2-NH1 2.72Å; E366-R423 PolarHBondContact OE2-NH1 2.74Å
367H85.1Confident87.8Confident109 Ų10944.2 Ų44.251%0.50522%0.222SC..Hα-helixtrans-74.6-38.3174.5-173.266.1000112.6Q364 R365 S371Q364-H367 WeakPolarHBondContact O-CA 3.4Å; Q364-H367 WeakPolarHBondContact O-CB 3.46Å; Q364-H367 PolarHBondContact O-N 2.72Å; R365-H367 PolarHBondContact O-N 2.85Å; H367-S371 PolarHBondContact O-N 3.13Å; H367-S371 VanDerWaalsContact O-N 3.09Å; H367-S371 PolarHBondContact O-OG 3.08Å
368C89.6Confident87.9Confident3 Ų344.3 Ų44.32%0.0222%0.223CC..Hα-helixtrans-56.1-51.9168.8-60.10000110.7L326 R356 L357 Q364 R365 S371 F372L326-C368 WeakPolarHBondContact CD1-SG 3.28Å; R356-C368 HydrophobicContact CG-CB 4.16Å; R356-C368 VanDerWaalsContact CG-SG 3.52Å; R356-C368 PolarHBondContact O-SG 3.12Å; L357-C368 HydrophobicContact CD2-CB 3.75Å; Q364-C368 PolarHBondContact O-N 3.27Å; Q364-C368 PolarHBondContact O-SG 3.27Å; R365-C368 WeakPolarHBondContact O-CB 3.46Å; R365-C368 PolarHBondContact O-N 2.8Å; C368-S371 WeakPolarHBondContact O-CB 3.19Å; C368-S371 PolarHBondContact O-N 2.89Å; C368-S371 VanDerWaalsContact O-N 3.16Å; C368-F372 VanDerWaalsContact O-CD1 3.29Å; C368-F372 WeakPolarHBondContact O-CD1 3.39Å; C368-F372 WeakPolarHBondContact O-CG 3.49Å; C368-F372 PolarHBondContact O-N 3.14Å
369L89.1Confident87.8Confident0 Ų043.4 Ų43.40%022%0.217CC..Hα-helixtrans-66.4-42.5-176.3-172.158.9000111.4L357 R365 S371 F372 V373 L418 L421 R423L357-L369 HydrophobicContact CD2-CB 4.37Å; R365-L369 WeakPolarHBondContact O-CB 3.36Å; R365-L369 PolarHBondContact O-N 3.15Å; L369-S371 PolarHBondContact O-N 3.26Å; L369-F372 PolarHBondContact O-N 3.11Å; L369-V373 HydrophobicContact CD1-CG2 4.18Å; L369-V373 HydrophobicContact CG-CG2 4.4Å; L369-V373 VanDerWaalsContact O-CG2 3.3Å; L369-V373 WeakPolarHBondContact O-CG2 3.39Å; L369-V373 PolarHBondContact O-N 2.73Å; L369-L418 HydrophobicContact CD1-CD2 3.82Å; L369-L421 HydrophobicContact CD2-CB 4.06Å; L369-L421 HydrophobicContact CD2-CD1 3.94Å; L369-R423 HydrophobicContact CD2-CB 3.77Å; L369-R423 HydrophobicContact CD2-CG 4.13Å; L369-R423 HydrophobicContact CG-CG 4.47Å
370T87.4Confident87.8Confident38 Ų3838.9 Ų38.923%0.23320%0.197CC..Hα-helixtrans-50.3-49170.2-57.70000110.9E366 R374 R423E366-T370 WeakPolarHBondContact O-CB 3.25Å; E366-T370 PolarHBondContact O-N 3.25Å; E366-T370 PolarHBondContact O-OG1 3.22Å; T370-R374 WeakPolarHBondContact O-CB 3.48Å; T370-R374 PolarHBondContact O-N 3.05Å; T370-R423 PolarHBondContact OG1-NH1 3.4Å; T370-R423 PolarHBondContact OG1-NH2 2.97Å
371S90.3Very high87.7Confident18 Ų1838.7 Ų38.713%0.12620%0.196CC..Hα-helixtrans-68-38.5-178.3-54.10000112.6Y331 H367 C368 L369 N375Y331-S371 WeakPolarHBondContact OH-CB 3.42Å; H367-S371 PolarHBondContact O-N 3.13Å; H367-S371 VanDerWaalsContact O-N 3.09Å; H367-S371 PolarHBondContact O-OG 3.08Å; C368-S371 WeakPolarHBondContact O-CB 3.19Å; C368-S371 PolarHBondContact O-N 2.89Å; C368-S371 VanDerWaalsContact O-N 3.16Å; L369-S371 PolarHBondContact O-N 3.26Å; S371-N375 WeakPolarHBondContact O-CB 3.42Å; S371-N375 PolarHBondContact O-N 3.36Å; S371-N375 VanDerWaalsContact O-N 3.13Å; S371-N375 PolarHBondContact O-ND2 2.66Å
372F93.2Very high87.4Confident0 Ų035.9 Ų35.90%019%0.187CC..Hα-helixtrans-67-41.2177.9-7511.8000112.5L329 Y331 L353 R356 L357 C368 L369 D376 I377 F414L329-F372 HydrophobicContact CD1-CE1 4.4Å; Y331-F372 AromaticContact CE1-CD1 3.62Å; Y331-F372 HydrophobicContact CE1-CD1 3.62Å; Y331-F372 AromaticContact CE1-CE1 3.85Å; Y331-F372 HydrophobicContact CE1-CE1 3.85Å; L353-F372 HydrophobicContact CB-CZ 4.46Å; L353-F372 HydrophobicContact CD2-CE1 4.31Å; L353-F372 HydrophobicContact CD2-CZ 3.97Å; R356-F372 HydrophobicContact CB-CZ 4.48Å; R356-F372 HydrophobicContact CG-CZ 4.29Å; L357-F372 HydrophobicContact CD1-CD2 4.05Å; L357-F372 HydrophobicContact CD1-CE2 3.82Å; L357-F372 HydrophobicContact CD2-CD2 4.19Å; L357-F372 HydrophobicContact CD2-CE2 4.02Å; L357-F372 HydrophobicContact CG-CD2 4.28Å; L357-F372 HydrophobicContact CG-CE2 3.76Å; C368-F372 VanDerWaalsContact O-CD1 3.29Å; C368-F372 WeakPolarHBondContact O-CD1 3.39Å; C368-F372 WeakPolarHBondContact O-CG 3.49Å; C368-F372 PolarHBondContact O-N 3.14Å; L369-F372 PolarHBondContact O-N 3.11Å; F372-D376 PolarHBondContact O-N 3.06Å; F372-I377 HydrophobicContact CB-CB 4.48Å; F372-I377 HydrophobicContact CB-CG2 3.92Å; F372-I377 HydrophobicContact CD1-CD1 3.87Å; F372-I377 HydrophobicContact CD2-CD1 4.36Å; F372-I377 HydrophobicContact CD2-CG2 4.49Å; F372-I377 HydrophobicContact CE1-CD1 4.01Å; F372-I377 HydrophobicContact CE2-CD1 4.48Å; F372-I377 HydrophobicContact CG-CD1 4.05Å; F372-I377 HydrophobicContact CG-CG2 4.25Å; F372-I377 HydrophobicContact CZ-CD1 4.31Å; F372-I377 PolarHBondContact O-N 3.01Å; F372-F414 HydrophobicContact CD2-CE2 4.4Å; F372-F414 HydrophobicContact CD2-CZ 4.07Å; F372-F414 AromaticContact CE2-CE2 3.89Å; F372-F414 HydrophobicContact CE2-CE2 3.89Å; F372-F414 AromaticContact CE2-CZ 3.84Å; F372-F414 HydrophobicContact CE2-CZ 3.84Å
373V90.2Very high87.4Confident11 Ų1132.6 Ų32.67%0.06717%0.167CC..Hα-helixtrans-70.3-48.6177.4176.90000110.6L369 N375 D376 Y427L369-V373 HydrophobicContact CD1-CG2 4.18Å; L369-V373 HydrophobicContact CG-CG2 4.4Å; L369-V373 VanDerWaalsContact O-CG2 3.3Å; L369-V373 WeakPolarHBondContact O-CG2 3.39Å; L369-V373 PolarHBondContact O-N 2.73Å; V373-N375 VanDerWaalsContact C-N 3.31Å; V373-N375 PolarHBondContact O-N 3.36Å; V373-D376 PolarHBondContact O-N 3.43Å; V373-Y427 HydrophobicContact CB-CD2 4.31Å; V373-Y427 HydrophobicContact CB-CG 4.44Å; V373-Y427 HydrophobicContact CG1-CD2 3.97Å; V373-Y427 HydrophobicContact CG1-CG 4.38Å; V373-Y427 HydrophobicContact CG2-CD1 4.25Å; V373-Y427 HydrophobicContact CG2-CD2 4.1Å; V373-Y427 HydrophobicContact CG2-CG 3.74Å
374R88.5Confident86.9Confident157 Ų15729.2 Ų29.259%0.59215%0.147SC*.Hα-helixtrans-57.9-40.5-179.5-174.9177.6-160.7-137.2-4.9113.2E206 T370 D376E206-R374 IonicContact OE1-CZ 3.95Å; E206-R374 IonicContact OE1-NE 2.6Å; E206-R374 PolarHBondContact OE1-NE 3.36Å; E206-R374 IonicContact OE1-NH2 3.25Å; E206-R374 PolarHBondContact OE1-NH2 2.81Å; T370-R374 WeakPolarHBondContact O-CB 3.48Å; T370-R374 PolarHBondContact O-N 3.05Å; R374-D376 VanDerWaalsContact C-N 3.3Å
375N90.6Very high85.4Confident54 Ų5431.6 Ų31.629%0.28917%0.167SC..THydrogen-bonded Turntrans-86.91.7178.8-69.1-90.8000113Y331 K335 S371 V373 I377Y331-N375 HydrophobicContact CD1-CB 4.23Å; Y331-N375 HydrophobicContact CD2-CB 3.82Å; Y331-N375 VanDerWaalsContact CD2-ND2 3.3Å; Y331-N375 WeakPolarHBondContact CD2-ND2 3.29Å; Y331-N375 HydrophobicContact CG-CB 3.63Å; K335-N375 VanDerWaalsContact CE-O 3.26Å; K335-N375 WeakPolarHBondContact CE-O 3.31Å; K335-N375 PolarHBondContact NZ-O 3.5Å; S371-N375 WeakPolarHBondContact O-CB 3.42Å; S371-N375 PolarHBondContact O-N 3.36Å; S371-N375 VanDerWaalsContact O-N 3.13Å; S371-N375 PolarHBondContact O-ND2 2.66Å; V373-N375 VanDerWaalsContact C-N 3.31Å; V373-N375 PolarHBondContact O-N 3.36Å; N375-I377 PolarHBondContact O-N 3.31Å
376D90.7Very high83.3Confident4 Ų438.3 Ų38.32%0.02120%0.203CC..THydrogen-bonded Turntrans43.561.7-172.9-170.611.1000111.8K335 F372 V373 R374 L378 D379 L380 T381 Y427K335-D376 WeakPolarHBondContact CE-O 3.42Å; K335-D376 PolarHBondContact NZ-O 2.91Å; F372-D376 PolarHBondContact O-N 3.06Å; V373-D376 PolarHBondContact O-N 3.43Å; R374-D376 VanDerWaalsContact C-N 3.3Å; D376-L378 PolarHBondContact O-N 3.31Å; D376-D379 WeakPolarHBondContact O-CA 3.29Å; D376-D379 PolarHBondContact O-N 2.85Å; D376-D379 WeakPolarHBondContact OD1-CA 3.42Å; D376-D379 PolarHBondContact OD1-N 2.97Å; D376-D379 WeakPolarHBondContact OD2-CA 3.42Å; D376-L380 VanDerWaalsContact CG-N 3.34Å; D376-L380 PolarHBondContact OD1-N 3.4Å; D376-L380 PolarHBondContact OD2-N 2.96Å; D376-L380 VanDerWaalsContact OD2-N 3.14Å; D376-T381 WeakPolarHBondContact OD2-CB 3.43Å; D376-T381 WeakPolarHBondContact OD2-CG2 3.46Å; D376-T381 PolarHBondContact OD2-N 3.35Å; D376-T381 PolarHBondContact OD2-OG1 2.88Å; D376-Y427 VanDerWaalsContact C-OH 3.26Å; D376-Y427 WeakPolarHBondContact CA-OH 3.49Å; D376-Y427 WeakPolarHBondContact OD1-CE2 3.35Å; D376-Y427 PolarHBondContact OD1-OH 3.25Å
377I93.6Very high81.5Confident2 Ų243.7 Ų43.71%0.0123%0.225CC..THydrogen-bonded Turntrans-57.9-21.5-169.8-164.8170.7000114.5Y331 L353 F372 N375 Y427Y331-I377 HydrophobicContact CD1-CD1 3.93Å; Y331-I377 HydrophobicContact CD1-CG1 4.23Å; Y331-I377 HydrophobicContact CE1-CD1 3.99Å; L353-I377 HydrophobicContact CD1-CD1 4.07Å; L353-I377 HydrophobicContact CD2-CD1 3.89Å; F372-I377 HydrophobicContact CB-CB 4.48Å; F372-I377 HydrophobicContact CB-CG2 3.92Å; F372-I377 HydrophobicContact CD1-CD1 3.87Å; F372-I377 HydrophobicContact CD2-CD1 4.36Å; F372-I377 HydrophobicContact CD2-CG2 4.49Å; F372-I377 HydrophobicContact CE1-CD1 4.01Å; F372-I377 HydrophobicContact CE2-CD1 4.48Å; F372-I377 HydrophobicContact CG-CD1 4.05Å; F372-I377 HydrophobicContact CG-CG2 4.25Å; F372-I377 HydrophobicContact CZ-CD1 4.31Å; F372-I377 PolarHBondContact O-N 3.01Å; N375-I377 PolarHBondContact O-N 3.31Å; I377-Y427 HydrophobicContact CG2-CE1 4.36Å; I377-Y427 PolarHBondContact N-OH 3.2Å
378L93.5Very high79.7Confident3 Ų344.9 Ų44.92%0.01624%0.235CC..THydrogen-bonded Turntrans-100.20.2176.5-68.2178.5000114D376 L380 L396 M411 F414 L418 Y427 L428D376-L378 PolarHBondContact O-N 3.31Å; L378-L380 VanDerWaalsContact C-N 3.29Å; L378-L380 HydrophobicContact CB-CD2 3.48Å; L378-L380 VanDerWaalsContact CB-CD2 3.48Å; L378-L380 HydrophobicContact CB-CG 3.94Å; L378-L380 HydrophobicContact CD1-CD2 4.2Å; L378-L380 PolarHBondContact O-N 3.04Å; L378-L396 HydrophobicContact CB-CB 4.16Å; L378-L396 HydrophobicContact CD1-CD1 4.45Å; L378-L396 HydrophobicContact CD2-CB 4.36Å; L378-M411 HydrophobicContact CD2-CE 3.9Å; L378-M411 HydrophobicContact CD2-SD 3.97Å; L378-F414 HydrophobicContact CD2-CD1 4.32Å; L378-F414 HydrophobicContact CD2-CE1 4.09Å; L378-L418 HydrophobicContact CD1-CD1 4.02Å; L378-Y427 WeakPolarHBondContact CB-OH 3.23Å; L378-Y427 HydrophobicContact CD1-CE1 4.16Å; L378-Y427 HydrophobicContact CG-CE1 4.41Å; L378-Y427 PolarHBondContact N-OH 3.25Å; L378-L428 HydrophobicContact CD1-CD2 4.1Å
379D90.2Very high77.9Confident2 Ų249.8 Ų49.81%0.01126%0.26CS..  trans49.641.5-171.4-66.7-37.6000113.5R198 K335 K339 D376 T381 T382 A394 P395R198-D379 IonicContact CZ-OD1 3.5Å; R198-D379 IonicContact NH2-OD1 3.56Å; R198-D379 PolarHBondContact NH2-OD1 3.4Å; R198-D379 IonicContact NH2-OD2 3.06Å; K335-D379 WeakPolarHBondContact CD-OD1 3.47Å; K335-D379 VanDerWaalsContact CE-OD1 3.26Å; K335-D379 WeakPolarHBondContact CE-OD1 3.26Å; K335-D379 IonicContact NZ-OD1 3.46Å; K335-D379 PolarHBondContact NZ-OD1 3.31Å; K339-D379 IonicContact NZ-OD2 2.77Å; K339-D379 PolarHBondContact NZ-OD2 2.89Å; K339-D379 VanDerWaalsContact NZ-OD2 3.15Å; D376-D379 WeakPolarHBondContact O-CA 3.29Å; D376-D379 PolarHBondContact O-N 2.85Å; D376-D379 WeakPolarHBondContact OD1-CA 3.42Å; D376-D379 PolarHBondContact OD1-N 2.97Å; D376-D379 WeakPolarHBondContact OD2-CA 3.42Å; D379-T381 PolarHBondContact O-N 2.93Å; D379-T381 VanDerWaalsContact O-N 3.17Å; D379-T382 HydrophobicContact CB-CG2 4Å; D379-T382 WeakPolarHBondContact O-CB 3.4Å; D379-T382 PolarHBondContact O-N 2.95Å; D379-T382 PolarHBondContact O-OG1 3.49Å; D379-A394 HydrophobicContact CB-CB 4.21Å; D379-P395 WeakPolarHBondContact OD2-CD 3.26Å
380L89Confident76.4Confident1 Ų152.2 Ų52.21%0.00527%0.273CS..G310 helixtrans-58.5-31-176.7-55.2-172.3000112.5D376 L378 T382 I383 L396 Y427 L428 N431 V434D376-L380 VanDerWaalsContact CG-N 3.34Å; D376-L380 PolarHBondContact OD1-N 3.4Å; D376-L380 PolarHBondContact OD2-N 2.96Å; D376-L380 VanDerWaalsContact OD2-N 3.14Å; L378-L380 VanDerWaalsContact C-N 3.29Å; L378-L380 HydrophobicContact CB-CD2 3.48Å; L378-L380 VanDerWaalsContact CB-CD2 3.48Å; L378-L380 HydrophobicContact CB-CG 3.94Å; L378-L380 HydrophobicContact CD1-CD2 4.2Å; L378-L380 PolarHBondContact O-N 3.04Å; L380-T382 PolarHBondContact O-N 3.21Å; L380-I383 HydrophobicContact CD2-CD1 4.38Å; L380-I383 PolarHBondContact O-N 2.83Å; L380-L396 HydrophobicContact CD2-CB 4.47Å; L380-L396 HydrophobicContact CD2-CD2 3.55Å; L380-Y427 HydrophobicContact CD1-CD1 4.17Å; L380-Y427 HydrophobicContact CD1-CD2 3.92Å; L380-Y427 HydrophobicContact CD1-CE1 3.87Å; L380-Y427 HydrophobicContact CD1-CE2 3.59Å; L380-Y427 HydrophobicContact CD1-CG 4.2Å; L380-Y427 WeakPolarHBondContact CD1-O 3.34Å; L380-Y427 HydrophobicContact CG-CE1 4.42Å; L380-Y427 HydrophobicContact CG-CE2 4.02Å; L380-L428 HydrophobicContact CD1-CD2 4.4Å; L380-N431 PolarHBondContact O-ND2 2.94Å; L380-V434 HydrophobicContact CD2-CG2 3.91Å
381T82.5Confident75Confident9 Ų953.9 Ų53.96%0.05528%0.28CS..G310 helixtrans-67.1-16.6177.855.80000114.1R201 Q202 D376 D379R201-T381 HydrophobicContact CB-CG2 4.08Å; Q202-T381 HydrophobicContact CG-CG2 3.65Å; Q202-T381 WeakPolarHBondContact CG-OG1 3.4Å; Q202-T381 PolarHBondContact NE2-OG1 3.47Å; D376-T381 WeakPolarHBondContact OD2-CB 3.43Å; D376-T381 WeakPolarHBondContact OD2-CG2 3.46Å; D376-T381 PolarHBondContact OD2-N 3.35Å; D376-T381 PolarHBondContact OD2-OG1 2.88Å; D379-T381 PolarHBondContact O-N 2.93Å; D379-T381 VanDerWaalsContact O-N 3.17Å
382T78.7Confident73.4Confident44 Ų4459.5 Ų59.527%0.2730%0.302SS..G310 helixtrans-86-16.4177.968.20000114R198 D379 L380R198-T382 HydrophobicContact CG-CG2 4.33Å; R198-T382 VanDerWaalsContact CZ-CG2 3.43Å; R198-T382 VanDerWaalsContact NE-CG2 3.32Å; D379-T382 HydrophobicContact CB-CG2 4Å; D379-T382 WeakPolarHBondContact O-CB 3.4Å; D379-T382 PolarHBondContact O-N 2.95Å; D379-T382 PolarHBondContact O-OG1 3.49Å; L380-T382 PolarHBondContact O-N 3.21Å
383I80.2Confident72.3Confident7 Ų765 Ų654%0.03633%0.327CS..THydrogen-bonded Turntrans-79.2126.9-173.5-58.4176.5000109.6L380 A394 L396 L397 N431 L433 V434 I437L380-I383 HydrophobicContact CD2-CD1 4.38Å; L380-I383 PolarHBondContact O-N 2.83Å; I383-A394 HydrophobicContact CD1-CB 4.31Å; I383-A394 HydrophobicContact CG1-CB 4.05Å; I383-L396 HydrophobicContact CD1-CD2 3.86Å; I383-L397 HydrophobicContact CD1-CD1 4.41Å; I383-L397 HydrophobicContact CD1-CG 4.16Å; I383-L397 HydrophobicContact CG1-CD1 4.04Å; I383-L397 HydrophobicContact CG1-CG 4.32Å; I383-N431 PolarHBondContact O-ND2 2.88Å; I383-L433 HydrophobicContact CG2-CB 4.3Å; I383-V434 HydrophobicContact CD1-CG2 4.31Å; I383-I437 HydrophobicContact CG2-CD1 3.74Å
384G66.7Low72.1Confident26 Ų2664.5 Ų64.527%0.26832%0.324SS..THydrogen-bonded Turntrans113.418.7170.500000117.5I386 L433G384-I386 PolarHBondContact O-N 2.77Å; G384-L433 VanDerWaalsContact CA-CD1 3.42Å
385S54.3Low72.2Confident79 Ų7957 Ų5755%0.55230%0.296SS*.  trans-68.3124.1167.9-165.90000110.5K387 D388S385-K387 PolarHBondContact O-N 2.88Å; S385-D388 PolarHBondContact O-N 3.37Å
386I44Very low72.3Confident162 Ų16254.4 Ų54.483%0.83128%0.282SS*.THydrogen-bonded Turntrans-66.3-1.9-153.9-78.6170.9000116.4G384G384-I386 PolarHBondContact O-N 2.77Å
387K44.9Very low72.3Confident189 Ų18954.4 Ų54.482%0.82228%0.282SS*.THydrogen-bonded Turntrans-126.8-17-177.5-70.2-175.6177.5170.80116.8S385S385-K387 PolarHBondContact O-N 2.88Å
388D45.8Very low72.1Confident133 Ų13357.8 Ų57.871%0.71130%0.295SS*.  trans-145.7116.2170.1-84.2-66.3000109.6S385 D390S385-D388 PolarHBondContact O-N 3.37Å; D388-D390 PolarHBondContact O-N 3.07Å
389I53.2Low72.1Confident106 Ų10657.7 Ų57.754%0.54430%0.295SS..  trans-77.775.7165.1-55174.6000106.4I391 L397I389-I391 WeakPolarHBondContact O-CG1 3.31Å; I389-I391 PolarHBondContact O-N 3.33Å; I389-L397 HydrophobicContact CG2-CD1 3.8Å; I389-L397 HydrophobicContact CG2-CD2 4.44Å
390D57.3Low72.2Confident51 Ų5157.6 Ų57.627%0.27329%0.294SS..  trans-69.7100-176.2-159.5-22.8000110.9D388 K392 H393D388-D390 PolarHBondContact O-N 3.07Å; D390-K392 VanDerWaalsContact CG-NZ 3.31Å; D390-K392 PolarHBondContact O-N 3.43Å; D390-K392 VanDerWaalsContact OD1-CB 3.29Å; D390-K392 WeakPolarHBondContact OD1-CB 3.43Å; D390-K392 WeakPolarHBondContact OD1-CD 3.2Å; D390-K392 WeakPolarHBondContact OD1-CE 2.98Å; D390-K392 WeakPolarHBondContact OD1-CG 3.21Å; D390-K392 PolarHBondContact OD1-N 2.82Å; D390-K392 VanDerWaalsContact OD1-N 3.11Å; D390-K392 IonicContact OD1-NZ 2.85Å; D390-K392 PolarHBondContact OD1-NZ 3.39Å; D390-K392 IonicContact OD2-NZ 3.51Å; D390-K392 PolarHBondContact OD2-NZ 2.89Å; D390-H393 PolarHBondContact O-N 2.79Å
391I57.3Low72.2Confident74 Ų7461.1 Ų61.138%0.37931%0.31SS..THydrogen-bonded Turntrans-54-23-178.4-53.6176.1000111.6I389 H393 K401I389-I391 WeakPolarHBondContact O-CG1 3.31Å; I389-I391 PolarHBondContact O-N 3.33Å; I391-H393 VanDerWaalsContact C-N 3.35Å; I391-H393 PolarHBondContact O-N 3.25Å; I391-K401 HydrophobicContact CD1-CD 3.83Å; I391-K401 HydrophobicContact CG1-CD 3.98Å; I391-K401 HydrophobicContact CG2-CB 4.09Å; I391-K401 HydrophobicContact CG2-CD 4.13Å
392K58.1Low72.6Confident135 Ų13561.7 Ų61.759%0.58731%0.314SS*.THydrogen-bonded Turntrans-74.5-18-176-57170.4-143.5117.40114.2D390D390-K392 VanDerWaalsContact CG-NZ 3.31Å; D390-K392 PolarHBondContact O-N 3.43Å; D390-K392 VanDerWaalsContact OD1-CB 3.29Å; D390-K392 WeakPolarHBondContact OD1-CB 3.43Å; D390-K392 WeakPolarHBondContact OD1-CD 3.2Å; D390-K392 WeakPolarHBondContact OD1-CE 2.98Å; D390-K392 WeakPolarHBondContact OD1-CG 3.21Å; D390-K392 PolarHBondContact OD1-N 2.82Å; D390-K392 VanDerWaalsContact OD1-N 3.11Å; D390-K392 IonicContact OD1-NZ 2.85Å; D390-K392 PolarHBondContact OD1-NZ 3.39Å; D390-K392 IonicContact OD2-NZ 3.51Å; D390-K392 PolarHBondContact OD2-NZ 2.89Å
393H69.2Low73.2Confident116 Ų11668.8 Ų68.854%0.53734%0.341SS..THydrogen-bonded Turntrans-98.6-33.2-166.7-70.3-33.5000115.5K339 D390 I391K339-H393 VanDerWaalsContact CE-O 3.26Å; K339-H393 WeakPolarHBondContact CE-O 3.44Å; K339-H393 PolarHBondContact NZ-O 3.25Å; D390-H393 PolarHBondContact O-N 2.79Å; I391-H393 VanDerWaalsContact C-N 3.35Å; I391-H393 PolarHBondContact O-N 3.25Å
394A85.8Confident73.7Confident0 Ų070.2 Ų70.20%035%0.347CS..  trans-101.5127.1179.800000112.5D379 I383 L396 L397 Y398D379-A394 HydrophobicContact CB-CB 4.21Å; I383-A394 HydrophobicContact CD1-CB 4.31Å; I383-A394 HydrophobicContact CG1-CB 4.05Å; A394-L396 PolarHBondContact O-N 3.47Å; A394-L397 HydrophobicContact CB-CB 4.23Å; A394-L397 HydrophobicContact CB-CD1 4.2Å; A394-L397 HydrophobicContact CB-CG 4.21Å; A394-L397 PolarHBondContact O-N 3.48Å; A394-L397 VanDerWaalsContact O-N 3.15Å; A394-Y398 WeakPolarHBondContact O-CB 3.38Å; A394-Y398 PolarHBondContact O-N 3.4Å
395P90.9Very high74.9Confident0 Ų073.2 Ų73.20%035%0.354CS..Hα-helixtrans-51.5-37.9173.2-27.233.9000113.3K335 I338 D379 Y398 C399K335-P395 HydrophobicContact CB-CG 4.13Å; K335-P395 HydrophobicContact CG-CG 4Å; I338-P395 HydrophobicContact CD1-CB 4.42Å; I338-P395 HydrophobicContact CG2-CB 4.07Å; D379-P395 WeakPolarHBondContact OD2-CD 3.26Å; P395-Y398 PolarHBondContact O-N 3.37Å; P395-C399 PolarHBondContact O-N 3.19Å
396L93Very high76.8Confident0 Ų072.2 Ų72.20%034%0.338CS..Hα-helixtrans-57.2-58.3174.8179.763.2000111.9L378 L380 I383 A394 Y398 C399 L400 M411 I415 V434L378-L396 HydrophobicContact CB-CB 4.16Å; L378-L396 HydrophobicContact CD1-CD1 4.45Å; L378-L396 HydrophobicContact CD2-CB 4.36Å; L380-L396 HydrophobicContact CD2-CB 4.47Å; L380-L396 HydrophobicContact CD2-CD2 3.55Å; I383-L396 HydrophobicContact CD1-CD2 3.86Å; A394-L396 PolarHBondContact O-N 3.47Å; L396-Y398 VanDerWaalsContact C-N 3.29Å; L396-Y398 PolarHBondContact O-N 3.36Å; L396-C399 PolarHBondContact O-N 3.27Å; L396-L400 HydrophobicContact CD1-CD1 3.56Å; L396-L400 HydrophobicContact CD1-CG 3.91Å; L396-L400 HydrophobicContact CG-CD1 3.8Å; L396-L400 HydrophobicContact CG-CG 4.38Å; L396-L400 VanDerWaalsContact O-CB 3.3Å; L396-L400 WeakPolarHBondContact O-CB 3.35Å; L396-L400 VanDerWaalsContact O-CG 3.26Å; L396-L400 WeakPolarHBondContact O-CG 3.36Å; L396-L400 PolarHBondContact O-N 3.17Å; L396-M411 HydrophobicContact CD1-CG 4.3Å; L396-M411 HydrophobicContact CD1-SD 4.01Å; L396-I415 HydrophobicContact CD1-CD1 3.44Å; L396-I415 VanDerWaalsContact CD1-CD1 3.44Å; L396-I415 HydrophobicContact CD1-CG1 4.22Å; L396-V434 HydrophobicContact CD2-CG1 3.96Å; L396-V434 HydrophobicContact CD2-CG2 4.21Å
397L90.1Very high79.2Confident4 Ų464.5 Ų64.52%0.02130%0.299CS..Hα-helixtrans-61.9-39.1-178.3-73176.2000111.8I383 I389 A394 K401 I437I383-L397 HydrophobicContact CD1-CD1 4.41Å; I383-L397 HydrophobicContact CD1-CG 4.16Å; I383-L397 HydrophobicContact CG1-CD1 4.04Å; I383-L397 HydrophobicContact CG1-CG 4.32Å; I389-L397 HydrophobicContact CG2-CD1 3.8Å; I389-L397 HydrophobicContact CG2-CD2 4.44Å; A394-L397 HydrophobicContact CB-CB 4.23Å; A394-L397 HydrophobicContact CB-CD1 4.2Å; A394-L397 HydrophobicContact CB-CG 4.21Å; A394-L397 PolarHBondContact O-N 3.48Å; A394-L397 VanDerWaalsContact O-N 3.15Å; L397-K401 VanDerWaalsContact O-CB 3.31Å; L397-K401 WeakPolarHBondContact O-CB 3.45Å; L397-K401 WeakPolarHBondContact O-CG 3.5Å; L397-K401 PolarHBondContact O-N 3.01Å; L397-I437 HydrophobicContact CD2-CD1 3.77Å; L397-I437 HydrophobicContact CD2-CG1 4.46Å; L397-I437 HydrophobicContact CD2-CG2 4.41Å
398Y89.3Confident81.6Confident73 Ų7357.7 Ų57.729%0.28627%0.268SS..Hα-helixtrans-64.8-44.1-178.6-172-101.9000112.2I338 K339 K346 A394 P395 L396 S402I338-Y398 HydrophobicContact CG2-CD1 4.47Å; I338-Y398 VanDerWaalsContact O-CE1 3.26Å; I338-Y398 WeakPolarHBondContact O-CE1 3.35Å; K339-Y398 PolarHBondContact O-OH 3.12Å; K346-Y398 HydrophobicContact CD-CE1 4.43Å; A394-Y398 WeakPolarHBondContact O-CB 3.38Å; A394-Y398 PolarHBondContact O-N 3.4Å; P395-Y398 PolarHBondContact O-N 3.37Å; L396-Y398 VanDerWaalsContact C-N 3.29Å; L396-Y398 PolarHBondContact O-N 3.36Å; Y398-S402 PolarHBondContact O-N 2.96Å
399C93.6Very high83.9Confident0 Ų051.7 Ų51.70%024%0.235CC..Hα-helixtrans-76-42176.7-66.90000113I338 P395 L396 K401 S402 V407 M411I338-C399 VanDerWaalsContact CG2-SG 3.58Å; P395-C399 PolarHBondContact O-N 3.19Å; L396-C399 PolarHBondContact O-N 3.27Å; C399-K401 VanDerWaalsContact C-N 3.34Å; C399-K401 PolarHBondContact O-N 3.38Å; C399-S402 VanDerWaalsContact O-CB 3.29Å; C399-S402 WeakPolarHBondContact O-CB 3.43Å; C399-S402 PolarHBondContact O-N 3.25Å; C399-V407 HydrophobicContact CB-CG1 3.88Å; C399-M411 HydrophobicContact CB-CB 3.78Å; C399-M411 HydrophobicContact CB-CE 3.51Å; C399-M411 HydrophobicContact CB-CG 3.85Å
400L92.4Very high85.9Confident0 Ų046.7 Ų46.70%021%0.21CC..Hα-helixtrans-61.7-40.3178.5-74.3-177.2000112.3L396 S402 R408 M411 I415 I437 L438 E441 F455L396-L400 HydrophobicContact CD1-CD1 3.56Å; L396-L400 HydrophobicContact CD1-CG 3.91Å; L396-L400 HydrophobicContact CG-CD1 3.8Å; L396-L400 HydrophobicContact CG-CG 4.38Å; L396-L400 VanDerWaalsContact O-CB 3.3Å; L396-L400 WeakPolarHBondContact O-CB 3.35Å; L396-L400 VanDerWaalsContact O-CG 3.26Å; L396-L400 WeakPolarHBondContact O-CG 3.36Å; L396-L400 PolarHBondContact O-N 3.17Å; L400-S402 VanDerWaalsContact C-N 3.28Å; L400-S402 PolarHBondContact O-N 3.25Å; L400-R408 WeakPolarHBondContact O-CD 3.38Å; L400-R408 WeakPolarHBondContact O-CG 3.01Å; L400-M411 HydrophobicContact CD2-CB 4.44Å; L400-M411 HydrophobicContact CD2-CG 3.8Å; L400-M411 HydrophobicContact CG-CG 4.01Å; L400-I415 HydrophobicContact CD2-CD1 4.1Å; L400-I437 HydrophobicContact CD1-CG2 3.69Å; L400-L438 HydrophobicContact CD1-CD2 4.26Å; L400-E441 HydrophobicContact CB-CG 4.28Å; L400-E441 HydrophobicContact CD1-CG 4.34Å; L400-F455 HydrophobicContact CD2-CE1 3.67Å; L400-F455 HydrophobicContact CD2-CZ 3.53Å
401K89.3Confident87.8Confident76 Ų7644.3 Ų44.333%0.3320%0.197SC..THydrogen-bonded Turntrans-9013.9179.6-60.2-177.3178.7-178.80113.2I391 L397 C399I391-K401 HydrophobicContact CD1-CD 3.83Å; I391-K401 HydrophobicContact CG1-CD 3.98Å; I391-K401 HydrophobicContact CG2-CB 4.09Å; I391-K401 HydrophobicContact CG2-CD 4.13Å; L397-K401 VanDerWaalsContact O-CB 3.31Å; L397-K401 WeakPolarHBondContact O-CB 3.45Å; L397-K401 WeakPolarHBondContact O-CG 3.5Å; L397-K401 PolarHBondContact O-N 3.01Å; C399-K401 VanDerWaalsContact C-N 3.34Å; C399-K401 PolarHBondContact O-N 3.38Å
402S90.9Very high89.7Confident20 Ų2040.8 Ų40.814%0.1418%0.179CC..  trans-68.7136.9174.8-175.80000111.6Y398 C399 L400 H404 R408Y398-S402 PolarHBondContact O-N 2.96Å; C399-S402 VanDerWaalsContact O-CB 3.29Å; C399-S402 WeakPolarHBondContact O-CB 3.43Å; C399-S402 PolarHBondContact O-N 3.25Å; L400-S402 VanDerWaalsContact C-N 3.28Å; L400-S402 PolarHBondContact O-N 3.25Å; S402-H404 PolarHBondContact O-N 2.91Å; S402-H404 PolarHBondContact OG-N 2.96Å; S402-R408 WeakPolarHBondContact O-CG 3.41Å; S402-R408 PolarHBondContact O-NH1 2.91Å; S402-R408 VanDerWaalsContact O-NH1 3.13Å
403K89.9Confident91.5Very high193 Ų19334.6 Ų34.684%0.83915%0.152SC*.SBendtrans-58.4-36.5169.7-69.8-171.4172.3-166.70111.4H405 R408K403-H405 PolarHBondContact O-N 3.5Å; K403-R408 PolarHBondContact O-NH1 3.2Å
404H92.4Very high92.8Very high38 Ų3829.1 Ų29.118%0.17613%0.127CC..SBendtrans-73.9112.8-173.9-165.3-55.5000111.2D343 S402 R406 V407 R408 F758D343-H404 HydrophobicContact CB-CB 4.12Å; D343-H404 WeakPolarHBondContact OD2-CB 3.35Å; D343-H404 IonicContact OD2-CD2 2.67Å; D343-H404 IonicContact OD2-CG 3.42Å; S402-H404 PolarHBondContact O-N 2.91Å; S402-H404 PolarHBondContact OG-N 2.96Å; H404-R406 VanDerWaalsContact C-N 3.34Å; H404-R406 PolarHBondContact ND1-N 3.47Å; H404-R406 PolarHBondContact O-N 3.29Å; H404-V407 HydrophobicContact CB-CB 4.43Å; H404-V407 HydrophobicContact CB-CG2 3.99Å; H404-V407 PolarHBondContact O-N 2.97Å; H404-R408 PolarHBondContact O-N 3.11Å; H404-F758 AromaticContact NE2-CE1 3.45Å; H404-F758 WeakPolarHBondContact NE2-CE1 3.5Å
405H92Very high93.3Very high89 Ų8929.1 Ų29.141%0.41213%0.127SC..Hα-helixtrans-55.1-45-173.168.1-65.5000113K403 V407 R408 E409K403-H405 PolarHBondContact O-N 3.5Å; H405-V407 VanDerWaalsContact C-N 3.26Å; H405-V407 PolarHBondContact O-N 2.95Å; H405-R408 WeakPolarHBondContact O-CB 3.4Å; H405-R408 PolarHBondContact O-N 3.05Å; H405-R408 VanDerWaalsContact O-N 3.12Å; H405-E409 PolarHBondContact O-N 3.34Å
406R92.6Very high93.5Very high57 Ų5729.1 Ų29.122%0.21513%0.127CC..Hα-helixtrans-58.3-31.6176.5-62.4-54.8-162157.92.5114H404 E409 Y410H404-R406 VanDerWaalsContact C-N 3.34Å; H404-R406 PolarHBondContact ND1-N 3.47Å; H404-R406 PolarHBondContact O-N 3.29Å; R406-E409 WeakPolarHBondContact CD-OE2 3.2Å; R406-E409 IonicContact CZ-OE2 3.47Å; R406-E409 IonicContact NE-OE2 2.8Å; R406-E409 IonicContact NH1-OE1 3.07Å; R406-E409 PolarHBondContact NH1-OE1 2.97Å; R406-E409 IonicContact NH1-OE2 2.79Å; R406-E409 PolarHBondContact NH1-OE2 3.39Å; R406-E409 PolarHBondContact O-N 3.43Å; R406-Y410 WeakPolarHBondContact O-CB 3.3Å; R406-Y410 WeakPolarHBondContact O-CD2 3.41Å; R406-Y410 PolarHBondContact O-N 3.08Å
407V94.9Very high93.6Very high0 Ų029.1 Ų29.10%013%0.127CC..Hα-helixtrans-71.8-37.1178.6179.70000110.7D343 K346 C399 H404 H405 M411D343-V407 HydrophobicContact CB-CG2 3.61Å; K346-V407 HydrophobicContact CB-CG1 4.28Å; K346-V407 HydrophobicContact CB-CG2 4.17Å; K346-V407 HydrophobicContact CD-CG1 4.12Å; K346-V407 HydrophobicContact CD-CG2 4.37Å; C399-V407 HydrophobicContact CB-CG1 3.88Å; H404-V407 HydrophobicContact CB-CB 4.43Å; H404-V407 HydrophobicContact CB-CG2 3.99Å; H404-V407 PolarHBondContact O-N 2.97Å; H405-V407 VanDerWaalsContact C-N 3.26Å; H405-V407 PolarHBondContact O-N 2.95Å; V407-M411 WeakPolarHBondContact O-CB 3.36Å; V407-M411 PolarHBondContact O-N 3.27Å; V407-M411 VanDerWaalsContact O-N 3.11Å
408R95.3Very high93.8Very high47 Ų4729 Ų2918%0.17713%0.126CC..Hα-helixtrans-64.7-45.9170-57.9-159.5-56.7-79.12.6111.4L400 S402 K403 H404 H405 Y410 M411 A412 E445 T451L400-R408 WeakPolarHBondContact O-CD 3.38Å; L400-R408 WeakPolarHBondContact O-CG 3.01Å; S402-R408 WeakPolarHBondContact O-CG 3.41Å; S402-R408 PolarHBondContact O-NH1 2.91Å; S402-R408 VanDerWaalsContact O-NH1 3.13Å; K403-R408 PolarHBondContact O-NH1 3.2Å; H404-R408 PolarHBondContact O-N 3.11Å; H405-R408 WeakPolarHBondContact O-CB 3.4Å; H405-R408 PolarHBondContact O-N 3.05Å; H405-R408 VanDerWaalsContact O-N 3.12Å; R408-Y410 PolarHBondContact O-N 3.23Å; R408-M411 PolarHBondContact O-N 2.96Å; R408-A412 WeakPolarHBondContact O-CB 3.34Å; R408-A412 PolarHBondContact O-N 2.84Å; R408-E445 IonicContact CZ-OE1 2.73Å; R408-E445 VanDerWaalsContact CZ-OE1 3.29Å; R408-E445 IonicContact NE-OE1 3.99Å; R408-E445 PolarHBondContact NE-OE1 3.26Å; R408-E445 IonicContact NH2-OE1 3.32Å; R408-E445 PolarHBondContact NH2-OE1 3.05Å; R408-E445 IonicContact NH2-OE2 2.66Å; R408-T451 HydrophobicContact CB-CG2 4.17Å
409E94.8Very high94Very high6 Ų625.5 Ų25.53%0.02811%0.112CC..Hα-helixtrans-57.3-48.3178.2-171.6-165.2138.100112.1H405 R406 A412 R413 I450H405-E409 PolarHBondContact O-N 3.34Å; R406-E409 WeakPolarHBondContact CD-OE2 3.2Å; R406-E409 IonicContact CZ-OE2 3.47Å; R406-E409 IonicContact NE-OE2 2.8Å; R406-E409 IonicContact NH1-OE1 3.07Å; R406-E409 PolarHBondContact NH1-OE1 2.97Å; R406-E409 IonicContact NH1-OE2 2.79Å; R406-E409 PolarHBondContact NH1-OE2 3.39Å; R406-E409 PolarHBondContact O-N 3.43Å; E409-A412 PolarHBondContact O-N 3.4Å; E409-R413 WeakPolarHBondContact O-CB 3.31Å; E409-R413 VanDerWaalsContact O-CG 3.29Å; E409-R413 WeakPolarHBondContact O-CG 3.24Å; E409-R413 PolarHBondContact O-N 3.19Å; E409-R413 IonicContact OE1-CZ 2.67Å; E409-R413 VanDerWaalsContact OE1-CZ 3.26Å; E409-R413 IonicContact OE1-NE 3.55Å; E409-R413 PolarHBondContact OE1-NE 3.08Å; E409-R413 IonicContact OE1-NH1 2.74Å; E409-R413 IonicContact OE1-NH2 2.89Å; E409-R413 PolarHBondContact OE1-NH2 3.49Å; E409-I450 HydrophobicContact CG-CB 3.93Å; E409-I450 HydrophobicContact CG-CG2 3.53Å
410Y95.4Very high94Very high2 Ų225.8 Ų25.81%0.00811%0.114CC..Hα-helixtrans-69.8-32.6179.3-90.5-79000113.2C347 Q351 R406 R408 R413 F414 L626C347-Y410 HydrophobicContact CB-CD2 3.75Å; C347-Y410 HydrophobicContact CB-CE2 4.19Å; C347-Y410 HydrophobicContact CB-CG 4.17Å; Q351-Y410 HydrophobicContact CB-CD1 3.9Å; Q351-Y410 HydrophobicContact CB-CE1 3.62Å; Q351-Y410 HydrophobicContact CG-CE1 3.96Å; R406-Y410 WeakPolarHBondContact O-CB 3.3Å; R406-Y410 WeakPolarHBondContact O-CD2 3.41Å; R406-Y410 PolarHBondContact O-N 3.08Å; R408-Y410 PolarHBondContact O-N 3.23Å; Y410-R413 PolarHBondContact OH-NH1 2.92Å; Y410-F414 WeakPolarHBondContact O-CB 3.18Å; Y410-F414 PolarHBondContact O-N 2.74Å; Y410-L626 HydrophobicContact CE2-CD1 3.74Å; Y410-L626 HydrophobicContact CE2-CG 3.91Å; Y410-L626 WeakPolarHBondContact OH-CG 3.22Å; Y410-L626 PolarHBondContact OH-N 3.07Å
411M96.6Very high93.8Very high1 Ų126.2 Ų26.21%0.00512%0.117CC..Hα-helixtrans-69.2-43.4171.4-178.252.475.600111.2L350 L378 L396 C399 L400 V407 R408 R413 F414 I415L350-M411 HydrophobicContact CD1-CB 4.27Å; L350-M411 HydrophobicContact CD1-CE 4.37Å; L350-M411 HydrophobicContact CD2-CE 3.56Å; L350-M411 HydrophobicContact CD2-SD 4.48Å; L378-M411 HydrophobicContact CD2-CE 3.9Å; L378-M411 HydrophobicContact CD2-SD 3.97Å; L396-M411 HydrophobicContact CD1-CG 4.3Å; L396-M411 HydrophobicContact CD1-SD 4.01Å; C399-M411 HydrophobicContact CB-CB 3.78Å; C399-M411 HydrophobicContact CB-CE 3.51Å; C399-M411 HydrophobicContact CB-CG 3.85Å; L400-M411 HydrophobicContact CD2-CB 4.44Å; L400-M411 HydrophobicContact CD2-CG 3.8Å; L400-M411 HydrophobicContact CG-CG 4.01Å; V407-M411 WeakPolarHBondContact O-CB 3.36Å; V407-M411 PolarHBondContact O-N 3.27Å; V407-M411 VanDerWaalsContact O-N 3.11Å; R408-M411 PolarHBondContact O-N 2.96Å; M411-R413 PolarHBondContact O-N 3.3Å; M411-F414 PolarHBondContact O-N 3.2Å; M411-F414 HydrophobicContact SD-CD1 4.37Å; M411-I415 HydrophobicContact CG-CD1 3.71Å; M411-I415 HydrophobicContact CG-CG1 4.46Å; M411-I415 WeakPolarHBondContact O-CD1 3.09Å; M411-I415 WeakPolarHBondContact O-CG1 3.39Å; M411-I415 PolarHBondContact O-N 2.86Å; M411-I415 HydrophobicContact SD-CD1 3.79Å; M411-I415 HydrophobicContact SD-CG1 3.98Å
412A96.6Very high93.7Very high0 Ų023.9 Ų23.90%011%0.109CC..Hα-helixtrans-58.2-45.8173.700000111.7R408 E409 F414 I415 N416 T451 N454 F455R408-A412 WeakPolarHBondContact O-CB 3.34Å; R408-A412 PolarHBondContact O-N 2.84Å; E409-A412 PolarHBondContact O-N 3.4Å; A412-F414 PolarHBondContact O-N 2.6Å; A412-I415 PolarHBondContact O-N 3.29Å; A412-N416 WeakPolarHBondContact O-CB 3.49Å; A412-N416 PolarHBondContact O-N 2.89Å; A412-T451 HydrophobicContact CB-CG2 4.27Å; A412-N454 HydrophobicContact CB-CB 3.87Å; A412-F455 HydrophobicContact CB-CD1 3.73Å; A412-F455 HydrophobicContact CB-CD2 4.45Å; A412-F455 HydrophobicContact CB-CE1 3.46Å; A412-F455 VanDerWaalsContact CB-CE1 3.46Å; A412-F455 HydrophobicContact CB-CE2 4.25Å; A412-F455 HydrophobicContact CB-CG 4.21Å; A412-F455 HydrophobicContact CB-CZ 3.73Å
413R95.8Very high93.4Very high5 Ų524.2 Ų24.22%0.01911%0.108CC..Hα-helixtrans-58.1-42173.7-78.3169.1170.4-149.44.4112.9R354 E409 Y410 M411 A417 I450 N454 R623 Q624 D625R354-R413 WeakPolarHBondContact CD-O 3.35Å; E409-R413 WeakPolarHBondContact O-CB 3.31Å; E409-R413 VanDerWaalsContact O-CG 3.29Å; E409-R413 WeakPolarHBondContact O-CG 3.24Å; E409-R413 PolarHBondContact O-N 3.19Å; E409-R413 IonicContact OE1-CZ 2.67Å; E409-R413 VanDerWaalsContact OE1-CZ 3.26Å; E409-R413 IonicContact OE1-NE 3.55Å; E409-R413 PolarHBondContact OE1-NE 3.08Å; E409-R413 IonicContact OE1-NH1 2.74Å; E409-R413 IonicContact OE1-NH2 2.89Å; E409-R413 PolarHBondContact OE1-NH2 3.49Å; Y410-R413 PolarHBondContact OH-NH1 2.92Å; M411-R413 PolarHBondContact O-N 3.3Å; R413-A417 PolarHBondContact O-N 2.91Å; R413-A417 VanDerWaalsContact O-N 3.16Å; R413-I450 VanDerWaalsContact NE-CG2 3.33Å; R413-I450 VanDerWaalsContact NH2-CG2 3.3Å; R413-N454 WeakPolarHBondContact CA-OD1 3.39Å; R413-N454 HydrophobicContact CG-CB 4.49Å; R413-R623 PolarHBondContact NH2-O 3.34Å; R413-Q624 PolarHBondContact NH1-O 2.9Å; R413-Q624 PolarHBondContact NH2-O 2.68Å; R413-D625 IonicContact CZ-OD1 2.89Å; R413-D625 IonicContact NH1-OD1 3.25Å; R413-D625 PolarHBondContact NH1-OD1 3.48Å
414F96.4Very high93.5Very high1 Ų115 Ų150%0.0047%0.068CC..Hα-helixtrans-68.3-42.5177.8-176.6-132.6000112.1L350 L353 R354 L357 F372 L378 Y410 M411 A412 A417 L418L350-F414 HydrophobicContact CD2-CD1 4.35Å; L353-F414 HydrophobicContact CB-CD2 4.37Å; L353-F414 HydrophobicContact CB-CE2 3.81Å; L353-F414 HydrophobicContact CB-CZ 3.91Å; R354-F414 HydrophobicContact CB-CD2 3.98Å; R354-F414 HydrophobicContact CG-CD2 4.37Å; L357-F414 HydrophobicContact CD1-CE2 4.02Å; F372-F414 HydrophobicContact CD2-CE2 4.4Å; F372-F414 HydrophobicContact CD2-CZ 4.07Å; F372-F414 AromaticContact CE2-CE2 3.89Å; F372-F414 HydrophobicContact CE2-CE2 3.89Å; F372-F414 AromaticContact CE2-CZ 3.84Å; F372-F414 HydrophobicContact CE2-CZ 3.84Å; L378-F414 HydrophobicContact CD2-CD1 4.32Å; L378-F414 HydrophobicContact CD2-CE1 4.09Å; Y410-F414 WeakPolarHBondContact O-CB 3.18Å; Y410-F414 PolarHBondContact O-N 2.74Å; M411-F414 PolarHBondContact O-N 3.2Å; M411-F414 HydrophobicContact SD-CD1 4.37Å; A412-F414 PolarHBondContact O-N 2.6Å; F414-A417 PolarHBondContact O-N 3.48Å; F414-L418 HydrophobicContact CD1-CD1 4.28Å; F414-L418 HydrophobicContact CE1-CD1 4.03Å; F414-L418 HydrophobicContact CE2-CD1 4.35Å; F414-L418 HydrophobicContact CE2-CG 4.39Å; F414-L418 HydrophobicContact CZ-CD1 4.06Å; F414-L418 WeakPolarHBondContact O-CG 3.49Å; F414-L418 PolarHBondContact O-N 2.94Å
415I96.9Very high93.4Very high0 Ų013.6 Ų13.60%06%0.061CC..Hα-helixtrans-65.6-40176.7-64.6161.6000111.4L396 L400 M411 A412 L418 A419 L428 L438 A458L396-I415 HydrophobicContact CD1-CD1 3.44Å; L396-I415 VanDerWaalsContact CD1-CD1 3.44Å; L396-I415 HydrophobicContact CD1-CG1 4.22Å; L400-I415 HydrophobicContact CD2-CD1 4.1Å; M411-I415 HydrophobicContact CG-CD1 3.71Å; M411-I415 HydrophobicContact CG-CG1 4.46Å; M411-I415 WeakPolarHBondContact O-CD1 3.09Å; M411-I415 WeakPolarHBondContact O-CG1 3.39Å; M411-I415 PolarHBondContact O-N 2.86Å; M411-I415 HydrophobicContact SD-CD1 3.79Å; M411-I415 HydrophobicContact SD-CG1 3.98Å; A412-I415 PolarHBondContact O-N 3.29Å; I415-L418 PolarHBondContact O-N 2.91Å; I415-A419 WeakPolarHBondContact O-CB 3.41Å; I415-A419 PolarHBondContact O-N 2.82Å; I415-L428 HydrophobicContact CG2-CD1 4.05Å; I415-L428 HydrophobicContact CG2-CD2 4.41Å; I415-L438 HydrophobicContact CD1-CD2 4.02Å; I415-L438 HydrophobicContact CG2-CD1 3.96Å; I415-L438 HydrophobicContact CG2-CD2 4.29Å; I415-A458 HydrophobicContact CG2-CB 4.16Å
416N95.6Very high93.3Very high0 Ų010.6 Ų10.60%05%0.052CC..Hα-helixtrans-59.8-48.3175-169.113.6000111A412 L418 A419 S420 N454 A458 K461 Y494A412-N416 WeakPolarHBondContact O-CB 3.49Å; A412-N416 PolarHBondContact O-N 2.89Å; N416-L418 VanDerWaalsContact C-N 3.34Å; N416-L418 PolarHBondContact O-N 3.49Å; N416-A419 PolarHBondContact O-N 3.07Å; N416-A419 VanDerWaalsContact O-N 3.11Å; N416-S420 PolarHBondContact O-N 2.98Å; N416-S420 PolarHBondContact O-OG 3.39Å; N416-S420 VanDerWaalsContact O-OG 3.08Å; N416-N454 HydrophobicContact CB-CB 4.2Å; N416-N454 PolarHBondContact ND2-OD1 3Å; N416-A458 HydrophobicContact CB-CB 4.3Å; N416-A458 PolarHBondContact OD1-N 3.27Å; N416-K461 WeakPolarHBondContact OD1-CD 3.47Å; N416-K461 PolarHBondContact OD1-NZ 3.31Å; N416-Y494 PolarHBondContact ND2-OH 3.41Å
417A94.9Very high93.2Very high0 Ų08 Ų80%04%0.042CC..Hα-helixtrans-66-30.7177.300000114R354 T358 R413 F414 L621R354-A417 HydrophobicContact CG-CB 3.58Å; T358-A417 HydrophobicContact CG2-CB 4.23Å; R413-A417 PolarHBondContact O-N 2.91Å; R413-A417 VanDerWaalsContact O-N 3.16Å; F414-A417 PolarHBondContact O-N 3.48Å; A417-L621 HydrophobicContact CB-CD1 4.45Å; A417-L621 HydrophobicContact CB-CD2 4.45Å
418L94.7Very high93.2Very high0 Ų08 Ų80%04%0.042CC..Hα-helixtrans-66.9-44.2168.6-76.1167.3000111.1L357 L369 L378 F414 I415 N416 S420 L421 G424 L428L357-L418 HydrophobicContact CD1-CD2 3.64Å; L357-L418 HydrophobicContact CD1-CG 4.15Å; L369-L418 HydrophobicContact CD1-CD2 3.82Å; L378-L418 HydrophobicContact CD1-CD1 4.02Å; F414-L418 HydrophobicContact CD1-CD1 4.28Å; F414-L418 HydrophobicContact CE1-CD1 4.03Å; F414-L418 HydrophobicContact CE2-CD1 4.35Å; F414-L418 HydrophobicContact CE2-CG 4.39Å; F414-L418 HydrophobicContact CZ-CD1 4.06Å; F414-L418 WeakPolarHBondContact O-CG 3.49Å; F414-L418 PolarHBondContact O-N 2.94Å; I415-L418 PolarHBondContact O-N 2.91Å; N416-L418 VanDerWaalsContact C-N 3.34Å; N416-L418 PolarHBondContact O-N 3.49Å; L418-S420 VanDerWaalsContact C-N 3.28Å; L418-S420 PolarHBondContact O-N 2.72Å; L418-L421 PolarHBondContact O-N 2.89Å; L418-L421 VanDerWaalsContact O-N 3.14Å; L418-G424 CarbonylContact O-C 3.57Å; L418-G424 VanDerWaalsContact O-CA 3.27Å; L418-G424 WeakPolarHBondContact O-CA 3.28Å; L418-L428 HydrophobicContact CB-CD1 4Å
419A94.4Very high93Very high0 Ų07 Ų70%04%0.042CC..Hα-helixtrans-68-26-179.800000113.2I415 N416 L421 R425 L428 A458 K461 M462I415-A419 WeakPolarHBondContact O-CB 3.41Å; I415-A419 PolarHBondContact O-N 2.82Å; N416-A419 PolarHBondContact O-N 3.07Å; N416-A419 VanDerWaalsContact O-N 3.11Å; A419-L421 PolarHBondContact O-N 2.98Å; A419-L421 VanDerWaalsContact O-N 3.12Å; A419-R425 HydrophobicContact CB-CG 4.43Å; A419-R425 WeakPolarHBondContact O-CD 3.46Å; A419-R425 WeakPolarHBondContact O-CG 3.49Å; A419-R425 PolarHBondContact O-NH1 2.86Å; A419-L428 HydrophobicContact CB-CD1 4.21Å; A419-A458 HydrophobicContact CB-CB 4.47Å; A419-K461 HydrophobicContact CB-CB 3.66Å; A419-K461 HydrophobicContact CB-CD 4.27Å; A419-M462 HydrophobicContact CB-CG 4.24Å; A419-M462 HydrophobicContact CB-SD 4.2Å
420S92.1Very high92.6Very high7 Ų79.3 Ų9.35%0.0495%0.053CC..THydrogen-bonded Turntrans-66.3-2.2171.2-56.10000114.2N416 L418 K461 L617 E618N416-S420 PolarHBondContact O-N 2.98Å; N416-S420 PolarHBondContact O-OG 3.39Å; N416-S420 VanDerWaalsContact O-OG 3.08Å; L418-S420 VanDerWaalsContact C-N 3.28Å; L418-S420 PolarHBondContact O-N 2.72Å; S420-K461 WeakPolarHBondContact OG-CD 3.25Å; S420-K461 WeakPolarHBondContact OG-CE 3.39Å; S420-K461 PolarHBondContact OG-NZ 3.35Å; S420-K461 VanDerWaalsContact OG-NZ 3.17Å; S420-L617 VanDerWaalsContact CB-CD2 3.49Å; S420-E618 WeakPolarHBondContact CB-OE2 3.45Å; S420-E618 PolarHBondContact OG-OE2 2.72Å
421L89Confident92.2Very high9 Ų910.3 Ų10.35%0.0476%0.058CC..SBendtrans-120.3128.3175.2-59.1171.8000109.6R365 L369 L418 A419 R423 G424 R425 L617R365-L421 HydrophobicContact CG-CD1 4.1Å; L369-L421 HydrophobicContact CD2-CB 4.06Å; L369-L421 HydrophobicContact CD2-CD1 3.94Å; L418-L421 PolarHBondContact O-N 2.89Å; L418-L421 VanDerWaalsContact O-N 3.14Å; A419-L421 PolarHBondContact O-N 2.98Å; A419-L421 VanDerWaalsContact O-N 3.12Å; L421-R423 VanDerWaalsContact C-N 3.27Å; L421-R423 PolarHBondContact O-N 3.37Å; L421-R423 VanDerWaalsContact O-N 3.15Å; L421-G424 CarbonylContact O-C 3.59Å; L421-G424 WeakPolarHBondContact O-CA 3.44Å; L421-G424 PolarHBondContact O-N 2.8Å; L421-R425 PolarHBondContact O-N 2.89Å; L421-L617 HydrophobicContact CD2-CD1 4.49Å; L421-L617 HydrophobicContact CD2-CD2 3.59Å; L421-L617 HydrophobicContact CD2-CG 3.96Å; L421-L617 HydrophobicContact CG-CD2 3.9Å
422C86.2Confident91.8Very high26 Ų2612.8 Ų12.818%0.1768%0.076CC..Hα-helixtrans-49.6-45-178.2-178.10000113.6R425 A426 D613C422-R425 WeakPolarHBondContact O-CB 3.5Å; C422-R425 PolarHBondContact O-N 3.15Å; C422-A426 PolarHBondContact O-N 2.7Å; C422-D613 HydrophobicContact CB-CB 3.8Å
423R85.7Confident91.5Very high28 Ų2815.5 Ų15.511%0.1069%0.09CC..Hα-helixtrans-74.1-24.6177.8-174.4172.6178.4-146.9-2.9114.2D209 R213 E366 L369 T370 L421 A426 Y427D209-R423 IonicContact OD1-CZ 3.21Å; D209-R423 IonicContact OD1-NE 3.39Å; D209-R423 PolarHBondContact OD1-NE 3.38Å; D209-R423 IonicContact OD1-NH2 3.9Å; D209-R423 PolarHBondContact OD1-NH2 3.39Å; D209-R423 IonicContact OD2-CZ 3.5Å; D209-R423 IonicContact OD2-NE 3.26Å; D209-R423 IonicContact OD2-NH2 3.57Å; D209-R423 PolarHBondContact OD2-NH2 3.09Å; R213-R423 VanDerWaalsContact NE-NH2 3.1Å; E366-R423 IonicContact OE2-NH1 2.72Å; E366-R423 PolarHBondContact OE2-NH1 2.74Å; L369-R423 HydrophobicContact CD2-CB 3.77Å; L369-R423 HydrophobicContact CD2-CG 4.13Å; L369-R423 HydrophobicContact CG-CG 4.47Å; T370-R423 PolarHBondContact OG1-NH1 3.4Å; T370-R423 PolarHBondContact OG1-NH2 2.97Å; L421-R423 VanDerWaalsContact C-N 3.27Å; L421-R423 PolarHBondContact O-N 3.37Å; L421-R423 VanDerWaalsContact O-N 3.15Å; R423-A426 WeakPolarHBondContact O-CB 3.37Å; R423-A426 PolarHBondContact O-N 2.92Å; R423-Y427 PolarHBondContact O-N 3.18Å
424G91.1Very high91.3Very high0 Ų015.3 Ų15.30%09%0.089CC..Hα-helixtrans-73.1-33.2169.500000111.7L418 L421 L428L418-G424 CarbonylContact O-C 3.57Å; L418-G424 VanDerWaalsContact O-CA 3.27Å; L418-G424 WeakPolarHBondContact O-CA 3.28Å; L421-G424 CarbonylContact O-C 3.59Å; L421-G424 WeakPolarHBondContact O-CA 3.44Å; L421-G424 PolarHBondContact O-N 2.8Å; G424-L428 WeakPolarHBondContact O-CG 3.23Å; G424-L428 PolarHBondContact O-N 2.96Å
425R91.5Very high91.2Very high7 Ų715.3 Ų15.33%0.0269%0.089CC..Hα-helixtrans-63.7-44.7164.8-55.6-169.1-66.7-94.213.9111.7A419 L421 C422 Y427 L428 S429 K461 M462 R465 D613A419-R425 HydrophobicContact CB-CG 4.43Å; A419-R425 WeakPolarHBondContact O-CD 3.46Å; A419-R425 WeakPolarHBondContact O-CG 3.49Å; A419-R425 PolarHBondContact O-NH1 2.86Å; L421-R425 PolarHBondContact O-N 2.89Å; C422-R425 WeakPolarHBondContact O-CB 3.5Å; C422-R425 PolarHBondContact O-N 3.15Å; R425-Y427 VanDerWaalsContact C-N 3.31Å; R425-Y427 PolarHBondContact O-N 3.41Å; R425-L428 PolarHBondContact O-N 3.48Å; R425-S429 VanDerWaalsContact O-CB 3.31Å; R425-S429 WeakPolarHBondContact O-CB 3.42Å; R425-S429 PolarHBondContact O-N 3.35Å; R425-S429 PolarHBondContact O-OG 3.35Å; R425-S429 VanDerWaalsContact O-OG 3.08Å; R425-K461 WeakPolarHBondContact CD-O 3.44Å; R425-M462 HydrophobicContact CB-CE 4.35Å; R425-M462 HydrophobicContact CB-SD 3.67Å; R425-M462 HydrophobicContact CG-SD 3.77Å; R425-M462 WeakPolarHBondContact O-CE 2.86Å; R425-R465 HydrophobicContact CB-CG 4.37Å; R425-D613 IonicContact CZ-OD1 3.98Å; R425-D613 IonicContact CZ-OD2 2.69Å; R425-D613 VanDerWaalsContact CZ-OD2 3.26Å; R425-D613 IonicContact NH1-OD1 2.74Å; R425-D613 IonicContact NH1-OD2 3.85Å; R425-D613 PolarHBondContact NH1-OD2 3.41Å; R425-D613 IonicContact NH2-OD1 2.72Å; R425-D613 PolarHBondContact NH2-OD1 3.35Å; R425-D613 IonicContact NH2-OD2 2.69Å; R425-D613 PolarHBondContact NH2-OD2 2.98Å
426A88.6Confident91Very high27 Ų2718.1 Ų18.122%0.22310%0.102CC..Hα-helixtrans-55-48.9177.100000110.9C422 R423 S429 Q430C422-A426 PolarHBondContact O-N 2.7Å; R423-A426 WeakPolarHBondContact O-CB 3.37Å; R423-A426 PolarHBondContact O-N 2.92Å; A426-S429 WeakPolarHBondContact CA-OG 3.26Å; A426-S429 PolarHBondContact O-N 2.86Å; A426-S429 PolarHBondContact O-OG 2.88Å; A426-Q430 PolarHBondContact O-N 3.4Å
427Y91.7Very high90.9Very high1 Ų119.2 Ų19.20%0.00411%0.108CC..Hα-helixtrans-56.4-54.5173.3174.6-127.7000113.6V373 D376 I377 L378 L380 R423 R425 S429 Q430V373-Y427 HydrophobicContact CB-CD2 4.31Å; V373-Y427 HydrophobicContact CB-CG 4.44Å; V373-Y427 HydrophobicContact CG1-CD2 3.97Å; V373-Y427 HydrophobicContact CG1-CG 4.38Å; V373-Y427 HydrophobicContact CG2-CD1 4.25Å; V373-Y427 HydrophobicContact CG2-CD2 4.1Å; V373-Y427 HydrophobicContact CG2-CG 3.74Å; D376-Y427 VanDerWaalsContact C-OH 3.26Å; D376-Y427 WeakPolarHBondContact CA-OH 3.49Å; D376-Y427 WeakPolarHBondContact OD1-CE2 3.35Å; D376-Y427 PolarHBondContact OD1-OH 3.25Å; I377-Y427 HydrophobicContact CG2-CE1 4.36Å; I377-Y427 PolarHBondContact N-OH 3.2Å; L378-Y427 WeakPolarHBondContact CB-OH 3.23Å; L378-Y427 HydrophobicContact CD1-CE1 4.16Å; L378-Y427 HydrophobicContact CG-CE1 4.41Å; L378-Y427 PolarHBondContact N-OH 3.25Å; L380-Y427 HydrophobicContact CD1-CD1 4.17Å; L380-Y427 HydrophobicContact CD1-CD2 3.92Å; L380-Y427 HydrophobicContact CD1-CE1 3.87Å; L380-Y427 HydrophobicContact CD1-CE2 3.59Å; L380-Y427 HydrophobicContact CD1-CG 4.2Å; L380-Y427 WeakPolarHBondContact CD1-O 3.34Å; L380-Y427 HydrophobicContact CG-CE1 4.42Å; L380-Y427 HydrophobicContact CG-CE2 4.02Å; R423-Y427 PolarHBondContact O-N 3.18Å; R425-Y427 VanDerWaalsContact C-N 3.31Å; R425-Y427 PolarHBondContact O-N 3.41Å; Y427-S429 PolarHBondContact O-N 3.27Å; Y427-S429 VanDerWaalsContact O-N 3.17Å; Y427-Q430 VanDerWaalsContact O-CB 3.27Å; Y427-Q430 WeakPolarHBondContact O-CB 3.15Å; Y427-Q430 WeakPolarHBondContact O-CG 3.4Å; Y427-Q430 PolarHBondContact O-N 2.93Å
428L93.4Very high90.9Very high0 Ų019.3 Ų19.30%011%0.109CC..Hα-helixtrans-61.2-25.5178.2-70.2169.6000112.8L378 L380 I415 L418 A419 G424 R425 V434 M462L378-L428 HydrophobicContact CD1-CD2 4.1Å; L380-L428 HydrophobicContact CD1-CD2 4.4Å; I415-L428 HydrophobicContact CG2-CD1 4.05Å; I415-L428 HydrophobicContact CG2-CD2 4.41Å; L418-L428 HydrophobicContact CB-CD1 4Å; A419-L428 HydrophobicContact CB-CD1 4.21Å; G424-L428 WeakPolarHBondContact O-CG 3.23Å; G424-L428 PolarHBondContact O-N 2.96Å; R425-L428 PolarHBondContact O-N 3.48Å; L428-V434 HydrophobicContact CD2-CG1 4.3Å; L428-M462 HydrophobicContact CB-CE 3.58Å; L428-M462 HydrophobicContact CB-SD 3.85Å; L428-M462 HydrophobicContact CD1-SD 4Å
429S91Very high91Very high26 Ų2619.4 Ų19.418%0.18211%0.109CC..Hα-helixtrans-84.2-7.7176.568.50000115.3R425 A426 Y427 N431 M468R425-S429 VanDerWaalsContact O-CB 3.31Å; R425-S429 WeakPolarHBondContact O-CB 3.42Å; R425-S429 PolarHBondContact O-N 3.35Å; R425-S429 PolarHBondContact O-OG 3.35Å; R425-S429 VanDerWaalsContact O-OG 3.08Å; A426-S429 WeakPolarHBondContact CA-OG 3.26Å; A426-S429 PolarHBondContact O-N 2.86Å; A426-S429 PolarHBondContact O-OG 2.88Å; Y427-S429 PolarHBondContact O-N 3.27Å; Y427-S429 VanDerWaalsContact O-N 3.17Å; S429-N431 PolarHBondContact O-N 3Å; S429-N431 VanDerWaalsContact O-N 3.11Å; S429-M468 WeakPolarHBondContact CB-SD 3.35Å
430Q87Confident91Very high55 Ų5523.4 Ų23.426%0.25713%0.131SC..THydrogen-bonded Turntrans-60.7-20177.6-71.5176.22.400113.4N205 A426 Y427N205-Q430 HydrophobicContact CB-CG 4.44Å; N205-Q430 VanDerWaalsContact ND2-CD 3.35Å; N205-Q430 PolarHBondContact ND2-OE1 3.44Å; A426-Q430 PolarHBondContact O-N 3.4Å; Y427-Q430 VanDerWaalsContact O-CB 3.27Å; Y427-Q430 WeakPolarHBondContact O-CB 3.15Å; Y427-Q430 WeakPolarHBondContact O-CG 3.4Å; Y427-Q430 PolarHBondContact O-N 2.93Å
431N86.5Confident91.1Very high23 Ų2323.7 Ų23.712%0.12313%0.131CC..SBendtrans-137.5106.7174.9-173.6-14.6000109.1L380 I383 S429 L433 V434L380-N431 PolarHBondContact O-ND2 2.94Å; I383-N431 PolarHBondContact O-ND2 2.88Å; S429-N431 PolarHBondContact O-N 3Å; S429-N431 VanDerWaalsContact O-N 3.11Å; N431-L433 PolarHBondContact O-N 2.89Å; N431-L433 VanDerWaalsContact O-N 3.12Å; N431-L433 WeakPolarHBondContact OD1-CB 3.41Å; N431-L433 WeakPolarHBondContact OD1-CG 3.41Å; N431-L433 PolarHBondContact OD1-N 3.43Å; N431-V434 HydrophobicContact CB-CG2 4.05Å; N431-V434 VanDerWaalsContact O-CB 3.25Å; N431-V434 WeakPolarHBondContact O-CB 3.34Å; N431-V434 WeakPolarHBondContact O-CG2 3.41Å; N431-V434 PolarHBondContact O-N 2.69Å
432S89.9Confident91.4Very high53 Ų5323.3 Ų23.337%0.37113%0.129SC..THydrogen-bonded Turntrans-57.6-28.6-176.351.50000113.5V434 I435 E436S432-V434 PolarHBondContact O-N 2.93Å; S432-V434 VanDerWaalsContact O-N 3.17Å; S432-I435 PolarHBondContact O-N 3.22Å; S432-E436 PolarHBondContact O-N 3.4Å
433L88.9Confident91.8Very high58 Ų5825.4 Ų25.430%0.30413%0.133SC..Hα-helixtrans-59.3-25.7175.8-58.6175.5000112.4I383 G384 N431 I435 E436 I437I383-L433 HydrophobicContact CG2-CB 4.3Å; G384-L433 VanDerWaalsContact CA-CD1 3.42Å; N431-L433 PolarHBondContact O-N 2.89Å; N431-L433 VanDerWaalsContact O-N 3.12Å; N431-L433 WeakPolarHBondContact OD1-CB 3.41Å; N431-L433 WeakPolarHBondContact OD1-CG 3.41Å; N431-L433 PolarHBondContact OD1-N 3.43Å; L433-I435 VanDerWaalsContact C-N 3.31Å; L433-I435 PolarHBondContact O-N 3.3Å; L433-E436 WeakPolarHBondContact CD2-OE2 3.49Å; L433-E436 PolarHBondContact O-N 2.9Å; L433-I437 WeakPolarHBondContact O-CB 3.29Å; L433-I437 WeakPolarHBondContact O-CD1 3.27Å; L433-I437 VanDerWaalsContact O-CG1 3.23Å; L433-I437 WeakPolarHBondContact O-CG1 3.48Å; L433-I437 PolarHBondContact O-N 2.8Å
434V91.3Very high92.2Very high1 Ų129.7 Ų29.71%0.00615%0.153CC..Hα-helixtrans-60.7-41.7174.2175.30000110.6L380 I383 L396 L428 N431 S432 I437 L438L380-V434 HydrophobicContact CD2-CG2 3.91Å; I383-V434 HydrophobicContact CD1-CG2 4.31Å; L396-V434 HydrophobicContact CD2-CG1 3.96Å; L396-V434 HydrophobicContact CD2-CG2 4.21Å; L428-V434 HydrophobicContact CD2-CG1 4.3Å; N431-V434 HydrophobicContact CB-CG2 4.05Å; N431-V434 VanDerWaalsContact O-CB 3.25Å; N431-V434 WeakPolarHBondContact O-CB 3.34Å; N431-V434 WeakPolarHBondContact O-CG2 3.41Å; N431-V434 PolarHBondContact O-N 2.69Å; S432-V434 PolarHBondContact O-N 2.93Å; S432-V434 VanDerWaalsContact O-N 3.17Å; V434-I437 PolarHBondContact O-N 2.91Å; V434-L438 HydrophobicContact CG1-CD1 4.31Å; V434-L438 VanDerWaalsContact O-CG 3.29Å; V434-L438 WeakPolarHBondContact O-CG 3.29Å; V434-L438 PolarHBondContact O-N 3.07Å
435I94.5Very high92.2Very high0 Ų031.2 Ų31.20%016%0.16CC..Hα-helixtrans-68.5-39.1176.4-63.6-50.1000111.2S432 L433 I437 L438 I439 L459 M462 M468 V471 M472S432-I435 PolarHBondContact O-N 3.22Å; L433-I435 VanDerWaalsContact C-N 3.31Å; L433-I435 PolarHBondContact O-N 3.3Å; I435-I437 VanDerWaalsContact C-N 3.35Å; I435-I437 PolarHBondContact O-N 2.62Å; I435-L438 HydrophobicContact CD1-CD1 4.23Å; I435-L438 PolarHBondContact O-N 2.83Å; I435-I439 HydrophobicContact CG2-CD1 3.72Å; I435-I439 HydrophobicContact CG2-CG1 4.31Å; I435-I439 WeakPolarHBondContact O-CB 3.39Å; I435-I439 WeakPolarHBondContact O-CD1 3.41Å; I435-I439 WeakPolarHBondContact O-CG1 3.29Å; I435-I439 PolarHBondContact O-N 3.37Å; I435-L459 HydrophobicContact CG2-CD2 4.46Å; I435-M462 HydrophobicContact CD1-CB 3.9Å; I435-M462 HydrophobicContact CD1-CE 3.74Å; I435-M462 HydrophobicContact CD1-CG 3.78Å; I435-M462 HydrophobicContact CG1-CE 4.45Å; I435-M468 HydrophobicContact CD1-SD 4.29Å; I435-M468 HydrophobicContact CG1-SD 3.48Å; I435-M468 WeakPolarHBondContact CG1-SD 3.34Å; I435-V471 HydrophobicContact CB-CG1 4.2Å; I435-V471 HydrophobicContact CG2-CB 4.43Å; I435-V471 HydrophobicContact CG2-CG1 3.92Å; I435-M472 HydrophobicContact CD1-CE 4.44Å; I435-M472 HydrophobicContact CG2-CE 3.81Å; I435-M472 HydrophobicContact CG2-CG 3.93Å
436E93.8Very high91.9Very high59 Ų5937.7 Ų37.728%0.27619%0.19SC..Hα-helixtrans-62.9-42.8176.3-51.8-165.2145.300111.2S432 L433 I439 D440 V471 Q475S432-E436 PolarHBondContact O-N 3.4Å; L433-E436 WeakPolarHBondContact CD2-OE2 3.49Å; L433-E436 PolarHBondContact O-N 2.9Å; E436-I439 PolarHBondContact O-N 3.32Å; E436-D440 PolarHBondContact O-N 3.1Å; E436-V471 HydrophobicContact CG-CG1 3.85Å; E436-Q475 HydrophobicContact CG-CG 4.14Å; E436-Q475 PolarHBondContact OE1-NE2 2.86Å
437I92.5Very high91.9Very high24 Ų2442.6 Ų42.612%0.12321%0.213CC..Hα-helixtrans-60-46.3172.5-68157.1000111.2I383 L397 L400 L433 V434 I435 I439 D440 E441I383-I437 HydrophobicContact CG2-CD1 3.74Å; L397-I437 HydrophobicContact CD2-CD1 3.77Å; L397-I437 HydrophobicContact CD2-CG1 4.46Å; L397-I437 HydrophobicContact CD2-CG2 4.41Å; L400-I437 HydrophobicContact CD1-CG2 3.69Å; L433-I437 WeakPolarHBondContact O-CB 3.29Å; L433-I437 WeakPolarHBondContact O-CD1 3.27Å; L433-I437 VanDerWaalsContact O-CG1 3.23Å; L433-I437 WeakPolarHBondContact O-CG1 3.48Å; L433-I437 PolarHBondContact O-N 2.8Å; V434-I437 PolarHBondContact O-N 2.91Å; I435-I437 VanDerWaalsContact C-N 3.35Å; I435-I437 PolarHBondContact O-N 2.62Å; I437-I439 VanDerWaalsContact C-N 3.33Å; I437-I439 PolarHBondContact O-N 3.22Å; I437-D440 PolarHBondContact O-N 3.2Å; I437-E441 HydrophobicContact CG2-CG 4.24Å; I437-E441 WeakPolarHBondContact O-CG 3.32Å; I437-E441 PolarHBondContact O-N 3.17Å
438L95.4Very high91.9Very high2 Ų245.4 Ų45.41%0.0123%0.226CC..Hα-helixtrans-65-35.9179.3-69.6175.2000112.8L400 I415 V434 I435 V442 F455 L459L400-L438 HydrophobicContact CD1-CD2 4.26Å; I415-L438 HydrophobicContact CD1-CD2 4.02Å; I415-L438 HydrophobicContact CG2-CD1 3.96Å; I415-L438 HydrophobicContact CG2-CD2 4.29Å; V434-L438 HydrophobicContact CG1-CD1 4.31Å; V434-L438 VanDerWaalsContact O-CG 3.29Å; V434-L438 WeakPolarHBondContact O-CG 3.29Å; V434-L438 PolarHBondContact O-N 3.07Å; I435-L438 HydrophobicContact CD1-CD1 4.23Å; I435-L438 PolarHBondContact O-N 2.83Å; L438-V442 PolarHBondContact O-N 2.88Å; L438-F455 HydrophobicContact CD2-CD1 3.93Å; L438-F455 HydrophobicContact CD2-CE1 3.79Å; L438-L459 HydrophobicContact CB-CD2 4.02Å
439I96Very high91.8Very high2 Ų247.2 Ų47.21%0.0124%0.238CC..Hα-helixtrans-63.9-42.6172.7-68.7162.9000110.2I435 E436 I437 V442 R443 L459 M472 Q475 V477I435-I439 HydrophobicContact CG2-CD1 3.72Å; I435-I439 HydrophobicContact CG2-CG1 4.31Å; I435-I439 WeakPolarHBondContact O-CB 3.39Å; I435-I439 WeakPolarHBondContact O-CD1 3.41Å; I435-I439 WeakPolarHBondContact O-CG1 3.29Å; I435-I439 PolarHBondContact O-N 3.37Å; E436-I439 PolarHBondContact O-N 3.32Å; I437-I439 VanDerWaalsContact C-N 3.33Å; I437-I439 PolarHBondContact O-N 3.22Å; I439-V442 WeakPolarHBondContact O-CG1 3.36Å; I439-R443 VanDerWaalsContact CG2-NH1 3.34Å; I439-R443 WeakPolarHBondContact O-CB 3.4Å; I439-R443 VanDerWaalsContact O-CD 3.28Å; I439-R443 WeakPolarHBondContact O-CD 3.35Å; I439-R443 WeakPolarHBondContact O-CG 3.37Å; I439-R443 PolarHBondContact O-N 3.11Å; I439-L459 HydrophobicContact CG1-CD1 4.38Å; I439-L459 HydrophobicContact CG1-CD2 3.96Å; I439-M472 HydrophobicContact CD1-CG 4.08Å; I439-Q475 HydrophobicContact CD1-CB 3.84Å; I439-Q475 HydrophobicContact CD1-CG 4.22Å; I439-V477 HydrophobicContact CD1-CG2 3.52Å; I439-V477 HydrophobicContact CG1-CG2 3.7Å; I439-V477 HydrophobicContact CG2-CG2 3.98Å
440D94.3Very high91.9Very high84 Ų8447.5 Ų47.545%0.44924%0.237SC..Hα-helixtrans-72.7-35.5179.3-82.5-4.4000113.3E436 I437 R443 K444E436-D440 PolarHBondContact O-N 3.1Å; I437-D440 PolarHBondContact O-N 3.2Å; D440-R443 IonicContact OD1-NH1 2.83Å; D440-K444 VanDerWaalsContact O-CE 3.23Å; D440-K444 WeakPolarHBondContact O-CE 3.44Å; D440-K444 WeakPolarHBondContact O-CG 3.27Å
441E94.5Very high92.2Very high12 Ų1245.1 Ų45.16%0.05623%0.227CC..Hα-helixtrans-69.5-43.6174.4-61.6-48.6144.600111.8L400 I437 R443 K444 F455L400-E441 HydrophobicContact CB-CG 4.28Å; L400-E441 HydrophobicContact CD1-CG 4.34Å; I437-E441 HydrophobicContact CG2-CG 4.24Å; I437-E441 WeakPolarHBondContact O-CG 3.32Å; I437-E441 PolarHBondContact O-N 3.17Å; E441-R443 PolarHBondContact O-N 3.36Å; E441-K444 WeakPolarHBondContact O-CB 3.47Å; E441-K444 PolarHBondContact O-N 2.79Å; E441-K444 IonicContact OE1-NZ 3.23Å; E441-K444 PolarHBondContact OE1-NZ 2.99Å; E441-K444 WeakPolarHBondContact OE2-CD 3.35Å; E441-K444 WeakPolarHBondContact OE2-CE 3.34Å; E441-K444 IonicContact OE2-NZ 3.67Å; E441-K444 PolarHBondContact OE2-NZ 3.03Å; E441-F455 HydrophobicContact CB-CE2 3.99Å; E441-F455 HydrophobicContact CB-CZ 4.11Å
442V95.5Very high92.6Very high2 Ų244.9 Ų44.91%0.01222%0.224CC..Hα-helixtrans-64.9-28.4177.378.90000112.7L438 I439 K444 E445 R452 F455 V456 L459 W480L438-V442 PolarHBondContact O-N 2.88Å; I439-V442 WeakPolarHBondContact O-CG1 3.36Å; V442-K444 PolarHBondContact O-N 3.13Å; V442-E445 PolarHBondContact O-N 3.08Å; V442-R452 HydrophobicContact CG2-CG 4.28Å; V442-F455 HydrophobicContact CB-CB 3.75Å; V442-F455 HydrophobicContact CB-CD2 4.15Å; V442-F455 HydrophobicContact CB-CG 4.27Å; V442-F455 HydrophobicContact CG2-CB 3.58Å; V442-F455 HydrophobicContact CG2-CD2 4.35Å; V442-F455 HydrophobicContact CG2-CG 4.44Å; V442-V456 HydrophobicContact CG2-CG2 4.08Å; V442-L459 HydrophobicContact CB-CD1 4.39Å; V442-L459 HydrophobicContact CG1-CD1 3.66Å; V442-W480 HydrophobicContact CB-CH2 4.34Å; V442-W480 HydrophobicContact CB-CZ2 4.44Å; V442-W480 HydrophobicContact CG1-CH2 3.68Å; V442-W480 HydrophobicContact CG1-CZ2 3.83Å; V442-W480 HydrophobicContact CG1-CZ3 4.17Å; V442-W480 HydrophobicContact CG2-CH2 3.66Å; V442-W480 HydrophobicContact CG2-CZ2 3.92Å
443R94.9Very high92.9Very high70 Ų7043.9 Ų43.926%0.26421%0.214SC..THydrogen-bonded Turntrans-67.8-14.5173.8-79.9168.4173.1169.5-2.3114I439 D440 E441 Q446 Q475 W480I439-R443 VanDerWaalsContact CG2-NH1 3.34Å; I439-R443 WeakPolarHBondContact O-CB 3.4Å; I439-R443 VanDerWaalsContact O-CD 3.28Å; I439-R443 WeakPolarHBondContact O-CD 3.35Å; I439-R443 WeakPolarHBondContact O-CG 3.37Å; I439-R443 PolarHBondContact O-N 3.11Å; D440-R443 IonicContact OD1-NH1 2.83Å; E441-R443 PolarHBondContact O-N 3.36Å; R443-Q446 PolarHBondContact O-NE2 3.07Å; R443-Q475 PolarHBondContact NH2-O 3.33Å; R443-W480 HydrophobicContact CG-CG 4.38Å
444K93Very high93.2Very high117 Ų11741.7 Ų41.751%0.50920%0.202SC..THydrogen-bonded Turntrans-89.8-28.4177.8-63.5165.9-157.5171.80112.9D440 E441 V442 Q446D440-K444 VanDerWaalsContact O-CE 3.23Å; D440-K444 WeakPolarHBondContact O-CE 3.44Å; D440-K444 WeakPolarHBondContact O-CG 3.27Å; E441-K444 WeakPolarHBondContact O-CB 3.47Å; E441-K444 PolarHBondContact O-N 2.79Å; E441-K444 IonicContact OE1-NZ 3.23Å; E441-K444 PolarHBondContact OE1-NZ 2.99Å; E441-K444 WeakPolarHBondContact OE2-CD 3.35Å; E441-K444 WeakPolarHBondContact OE2-CE 3.34Å; E441-K444 IonicContact OE2-NZ 3.67Å; E441-K444 PolarHBondContact OE2-NZ 3.03Å; V442-K444 PolarHBondContact O-N 3.13Å; K444-Q446 PolarHBondContact O-N 2.76Å
445E92.3Very high93.4Very high32 Ų3241.7 Ų41.715%0.1520%0.202CC..  trans-79.982.2-178.5-57.3-68.2170.800110R408 V442 T451 R452R408-E445 IonicContact CZ-OE1 2.73Å; R408-E445 VanDerWaalsContact CZ-OE1 3.29Å; R408-E445 IonicContact NE-OE1 3.99Å; R408-E445 PolarHBondContact NE-OE1 3.26Å; R408-E445 IonicContact NH2-OE1 3.32Å; R408-E445 PolarHBondContact NH2-OE1 3.05Å; R408-E445 IonicContact NH2-OE2 2.66Å; V442-E445 PolarHBondContact O-N 3.08Å; E445-T451 HydrophobicContact CG-CG2 4.1Å; E445-R452 HydrophobicContact CB-CB 4.17Å; E445-R452 PolarHBondContact O-NH1 2.85Å
446Q85.6Confident93.5Very high143 Ų14341.7 Ų41.767%0.66820%0.202SC*.  trans-71.4-30.5-175-63.5-62.8-47.800113.8R443 K444 R452R443-Q446 PolarHBondContact O-NE2 3.07Å; K444-Q446 PolarHBondContact O-N 2.76Å; Q446-R452 PolarHBondContact O-NH1 3.18Å
447D88.6Confident93.6Very high131 Ų13138.9 Ų38.970%0.70119%0.189SC*.SBendtrans-92.2156.5178-59.8-62.5000111.8C449 R452D447-C449 PolarHBondContact O-N 3.46Å; D447-R452 VanDerWaalsContact O-CZ 3.27Å; D447-R452 PolarHBondContact O-NH1 3.03Å
448E90.8Very high93.8Very high59 Ų5937.8 Ų37.828%0.27618%0.183SC..  trans-71.7116176.5-171.264.8-173.200110.1R452 S492 T495E448-R452 IonicContact OE2-CZ 2.68Å; E448-R452 IonicContact OE2-NE 2.98Å; E448-R452 PolarHBondContact OE2-NE 2.96Å; E448-R452 IonicContact OE2-NH2 3.24Å; E448-R452 PolarHBondContact OE2-NH2 3.37Å; E448-S492 WeakPolarHBondContact OE1-CB 3.27Å; E448-S492 PolarHBondContact OE1-N 2.88Å; E448-S492 PolarHBondContact OE1-OG 3.26Å; E448-T495 WeakPolarHBondContact OE1-CB 3.42Å; E448-T495 PolarHBondContact OE1-OG1 2.97Å
449C92Very high93.9Very high38 Ų3837.7 Ų37.726%0.25718%0.183SC..  trans-150.5158-175.466.30000111.5D447 T451 R452 E453D447-C449 PolarHBondContact O-N 3.46Å; C449-T451 PolarHBondContact O-N 3.01Å; C449-T451 VanDerWaalsContact O-N 3.11Å; C449-R452 WeakPolarHBondContact O-CA 3.4Å; C449-R452 WeakPolarHBondContact O-CB 3.36Å; C449-R452 PolarHBondContact O-N 2.84Å; C449-R452 PolarHBondContact SG-N 2.69Å; C449-R452 VanDerWaalsContact SG-N 3.4Å; C449-E453 PolarHBondContact O-N 3.3Å
450I92.2Very high93.9Very high32 Ų3237.8 Ų37.816%0.16418%0.183CC..Hα-helixtrans-52.6-35.7178-58.6167.6000111.9E409 R413 E453 N454E409-I450 HydrophobicContact CG-CB 3.93Å; E409-I450 HydrophobicContact CG-CG2 3.53Å; R413-I450 VanDerWaalsContact NE-CG2 3.33Å; R413-I450 VanDerWaalsContact NH2-CG2 3.3Å; I450-E453 WeakPolarHBondContact CA-OE2 3.24Å; I450-N454 WeakPolarHBondContact O-CB 3.34Å; I450-N454 PolarHBondContact O-N 3.23Å; I450-N454 PolarHBondContact O-ND2 2.85Å
451T94.6Very high94Very high6 Ų633.9 Ų33.94%0.03716%0.162CC..Hα-helixtrans-63.7-45.2176.1-47.70000111.3R408 A412 E445 C449 F455R408-T451 HydrophobicContact CB-CG2 4.17Å; A412-T451 HydrophobicContact CB-CG2 4.27Å; E445-T451 HydrophobicContact CG-CG2 4.1Å; C449-T451 PolarHBondContact O-N 3.01Å; C449-T451 VanDerWaalsContact O-N 3.11Å; T451-F455 HydrophobicContact CG2-CD2 3.97Å; T451-F455 HydrophobicContact CG2-CE2 3.49Å; T451-F455 VanDerWaalsContact CG2-CE2 3.49Å; T451-F455 HydrophobicContact CG2-CZ 4.18Å; T451-F455 VanDerWaalsContact O-CD2 3.28Å; T451-F455 WeakPolarHBondContact O-CD2 3.39Å; T451-F455 WeakPolarHBondContact O-CG 3.45Å; T451-F455 PolarHBondContact O-N 2.87Å
452R94.8Very high93.9Very high17 Ų1733.3 Ų33.36%0.06416%0.16CC..Hα-helixtrans-64.6-48.7174.9176.9158.777-16214111.6V442 E445 Q446 D447 E448 C449 N454 F455 V456V442-R452 HydrophobicContact CG2-CG 4.28Å; E445-R452 HydrophobicContact CB-CB 4.17Å; E445-R452 PolarHBondContact O-NH1 2.85Å; Q446-R452 PolarHBondContact O-NH1 3.18Å; D447-R452 VanDerWaalsContact O-CZ 3.27Å; D447-R452 PolarHBondContact O-NH1 3.03Å; E448-R452 IonicContact OE2-CZ 2.68Å; E448-R452 IonicContact OE2-NE 2.98Å; E448-R452 PolarHBondContact OE2-NE 2.96Å; E448-R452 IonicContact OE2-NH2 3.24Å; E448-R452 PolarHBondContact OE2-NH2 3.37Å; C449-R452 WeakPolarHBondContact O-CA 3.4Å; C449-R452 WeakPolarHBondContact O-CB 3.36Å; C449-R452 PolarHBondContact O-N 2.84Å; C449-R452 PolarHBondContact SG-N 2.69Å; C449-R452 VanDerWaalsContact SG-N 3.4Å; R452-N454 VanDerWaalsContact C-N 3.28Å; R452-N454 PolarHBondContact O-N 3.34Å; R452-F455 PolarHBondContact O-N 3.3Å; R452-V456 HydrophobicContact CG-CG2 4.02Å; R452-V456 WeakPolarHBondContact O-CG2 3.27Å; R452-V456 PolarHBondContact O-N 3.43Å
453E94.6Very high93.9Very high32 Ų3233.2 Ų33.215%0.1516%0.159CC..Hα-helixtrans-49.2-52.2176.4-71.5-179.1140.500110.5C449 I450 F455 V456 G457 S492 Y494 T495C449-E453 PolarHBondContact O-N 3.3Å; I450-E453 WeakPolarHBondContact CA-OE2 3.24Å; E453-F455 PolarHBondContact O-N 2.81Å; E453-V456 PolarHBondContact O-N 2.9Å; E453-G457 PolarHBondContact O-N 2.89Å; E453-S492 VanDerWaalsContact OE1-CB 3.26Å; E453-S492 WeakPolarHBondContact OE1-CB 3.33Å; E453-S492 PolarHBondContact OE1-OG 3.44Å; E453-Y494 HydrophobicContact CB-CD1 3.8Å; E453-Y494 HydrophobicContact CB-CE1 4.21Å; E453-Y494 HydrophobicContact CG-CD1 4.27Å; E453-Y494 WeakPolarHBondContact O-CE1 3.14Å; E453-T495 WeakPolarHBondContact CG-OG1 3.47Å
454N95.2Very high93.7Very high13 Ų1331.3 Ų31.37%0.0715%0.154CC..Hα-helixtrans-69.7-34-176.4-79.6-90000113.5A412 R413 N416 I450 R452 A458A412-N454 HydrophobicContact CB-CB 3.87Å; R413-N454 WeakPolarHBondContact CA-OD1 3.39Å; R413-N454 HydrophobicContact CG-CB 4.49Å; N416-N454 HydrophobicContact CB-CB 4.2Å; N416-N454 PolarHBondContact ND2-OD1 3Å; I450-N454 WeakPolarHBondContact O-CB 3.34Å; I450-N454 PolarHBondContact O-N 3.23Å; I450-N454 PolarHBondContact O-ND2 2.85Å; R452-N454 VanDerWaalsContact C-N 3.28Å; R452-N454 PolarHBondContact O-N 3.34Å; N454-A458 VanDerWaalsContact O-CB 3.24Å; N454-A458 WeakPolarHBondContact O-CB 3.19Å; N454-A458 PolarHBondContact O-N 2.88Å
455F96.8Very high93.4Very high1 Ų126.2 Ų26.20%0.00413%0.132CC..Hα-helixtrans-71.2-38.4172.1-71.2-41.4000113L400 A412 L438 E441 V442 T451 R452 E453 A458 L459L400-F455 HydrophobicContact CD2-CE1 3.67Å; L400-F455 HydrophobicContact CD2-CZ 3.53Å; A412-F455 HydrophobicContact CB-CD1 3.73Å; A412-F455 HydrophobicContact CB-CD2 4.45Å; A412-F455 HydrophobicContact CB-CE1 3.46Å; A412-F455 VanDerWaalsContact CB-CE1 3.46Å; A412-F455 HydrophobicContact CB-CE2 4.25Å; A412-F455 HydrophobicContact CB-CG 4.21Å; A412-F455 HydrophobicContact CB-CZ 3.73Å; L438-F455 HydrophobicContact CD2-CD1 3.93Å; L438-F455 HydrophobicContact CD2-CE1 3.79Å; E441-F455 HydrophobicContact CB-CE2 3.99Å; E441-F455 HydrophobicContact CB-CZ 4.11Å; V442-F455 HydrophobicContact CB-CB 3.75Å; V442-F455 HydrophobicContact CB-CD2 4.15Å; V442-F455 HydrophobicContact CB-CG 4.27Å; V442-F455 HydrophobicContact CG2-CB 3.58Å; V442-F455 HydrophobicContact CG2-CD2 4.35Å; V442-F455 HydrophobicContact CG2-CG 4.44Å; T451-F455 HydrophobicContact CG2-CD2 3.97Å; T451-F455 HydrophobicContact CG2-CE2 3.49Å; T451-F455 VanDerWaalsContact CG2-CE2 3.49Å; T451-F455 HydrophobicContact CG2-CZ 4.18Å; T451-F455 VanDerWaalsContact O-CD2 3.28Å; T451-F455 WeakPolarHBondContact O-CD2 3.39Å; T451-F455 WeakPolarHBondContact O-CG 3.45Å; T451-F455 PolarHBondContact O-N 2.87Å; R452-F455 PolarHBondContact O-N 3.3Å; E453-F455 PolarHBondContact O-N 2.81Å; F455-A458 PolarHBondContact O-N 3.18Å; F455-L459 WeakPolarHBondContact O-CB 2.95Å; F455-L459 VanDerWaalsContact O-CG 3.32Å; F455-L459 WeakPolarHBondContact O-CG 3.45Å; F455-L459 PolarHBondContact O-N 3.07Å
456V96.8Very high93.1Very high0 Ų028.7 Ų28.70%014%0.14CC..Hα-helixtrans-64.2-44.5175.3171.90000110.2V442 R452 E453 L459 Q460 W480 L484 T495 A499V442-V456 HydrophobicContact CG2-CG2 4.08Å; R452-V456 HydrophobicContact CG-CG2 4.02Å; R452-V456 WeakPolarHBondContact O-CG2 3.27Å; R452-V456 PolarHBondContact O-N 3.43Å; E453-V456 PolarHBondContact O-N 2.9Å; V456-L459 PolarHBondContact O-N 3.46Å; V456-Q460 WeakPolarHBondContact O-CB 3.29Å; V456-Q460 PolarHBondContact O-N 3.45Å; V456-W480 HydrophobicContact CG2-CH2 3.92Å; V456-L484 HydrophobicContact CG2-CD2 4.44Å; V456-T495 HydrophobicContact CG2-CG2 4.39Å; V456-A499 HydrophobicContact CG1-CB 4.17Å
457G95.6Very high93.3Very high0 Ų024.5 Ų24.50%013%0.125CC..Hα-helixtrans-57.6-50.2171.600000112.3E453 L459 Q460 K461E453-G457 PolarHBondContact O-N 2.89Å; G457-L459 PolarHBondContact O-N 2.97Å; G457-Q460 PolarHBondContact O-N 3.05Å; G457-K461 WeakPolarHBondContact O-CD 3.1Å; G457-K461 WeakPolarHBondContact O-CG 3.05Å; G457-K461 PolarHBondContact O-N 3.18Å
458A96.3Very high93.5Very high0 Ų018.7 Ų18.70%09%0.094CC..Hα-helixtrans-60.2-44.1178.300000112.7I415 N416 A419 N454 F455 K461 M462I415-A458 HydrophobicContact CG2-CB 4.16Å; N416-A458 HydrophobicContact CB-CB 4.3Å; N416-A458 PolarHBondContact OD1-N 3.27Å; A419-A458 HydrophobicContact CB-CB 4.47Å; N454-A458 VanDerWaalsContact O-CB 3.24Å; N454-A458 WeakPolarHBondContact O-CB 3.19Å; N454-A458 PolarHBondContact O-N 2.88Å; F455-A458 PolarHBondContact O-N 3.18Å; A458-K461 PolarHBondContact O-N 3.44Å; A458-M462 WeakPolarHBondContact O-CB 3.15Å; A458-M462 VanDerWaalsContact O-CG 3.27Å; A458-M462 WeakPolarHBondContact O-CG 3.46Å; A458-M462 PolarHBondContact O-N 2.97Å
459L97.6Very high93.6Very high1 Ų116.3 Ų16.31%0.0058%0.082CC..Hα-helixtrans-67.1-39.5177.5-71.9171.7000111.9I435 L438 I439 V442 F455 V456 G457 K461 M462 S463 M472 L502I435-L459 HydrophobicContact CG2-CD2 4.46Å; L438-L459 HydrophobicContact CB-CD2 4.02Å; I439-L459 HydrophobicContact CG1-CD1 4.38Å; I439-L459 HydrophobicContact CG1-CD2 3.96Å; V442-L459 HydrophobicContact CB-CD1 4.39Å; V442-L459 HydrophobicContact CG1-CD1 3.66Å; F455-L459 WeakPolarHBondContact O-CB 2.95Å; F455-L459 VanDerWaalsContact O-CG 3.32Å; F455-L459 WeakPolarHBondContact O-CG 3.45Å; F455-L459 PolarHBondContact O-N 3.07Å; V456-L459 PolarHBondContact O-N 3.46Å; G457-L459 PolarHBondContact O-N 2.97Å; L459-K461 VanDerWaalsContact C-N 3.34Å; L459-K461 PolarHBondContact O-N 3.27Å; L459-M462 PolarHBondContact O-N 2.84Å; L459-S463 WeakPolarHBondContact O-CB 3.26Å; L459-S463 PolarHBondContact O-N 3.49Å; L459-M472 HydrophobicContact CB-CE 4.45Å; L459-M472 HydrophobicContact CD2-CE 3.84Å; L459-M472 WeakPolarHBondContact O-CE 3.41Å; L459-L502 HydrophobicContact CB-CD2 4.15Å
460Q96.6Very high93.6Very high4 Ų415.6 Ų15.62%0.0198%0.077CC..Hα-helixtrans-58.8-46.7172.5-169.9-77-24.900111.1V456 G457 S463 Y498 A501 L502 N505V456-Q460 WeakPolarHBondContact O-CB 3.29Å; V456-Q460 PolarHBondContact O-N 3.45Å; G457-Q460 PolarHBondContact O-N 3.05Å; Q460-S463 WeakPolarHBondContact O-CB 3.5Å; Q460-S463 PolarHBondContact O-N 3.34Å; Q460-S463 PolarHBondContact O-OG 3.46Å; Q460-Y498 HydrophobicContact CB-CD1 3.82Å; Q460-Y498 HydrophobicContact CG-CD1 3.86Å; Q460-Y498 WeakPolarHBondContact CG-O 3.36Å; Q460-A501 HydrophobicContact CG-CB 3.85Å; Q460-L502 HydrophobicContact CB-CB 4.05Å; Q460-L502 HydrophobicContact CG-CB 4.07Å; Q460-N505 PolarHBondContact NE2-ND2 3.45Å
461K94.7Very high93.7Very high1 Ų115 Ų150%0.0048%0.075CC..Hα-helixtrans-64.2-45.7177.6-74.8153.8179.4158.70111.8N416 A419 S420 R425 G457 A458 L459 S463 L464 Y498 E618N416-K461 WeakPolarHBondContact OD1-CD 3.47Å; N416-K461 PolarHBondContact OD1-NZ 3.31Å; A419-K461 HydrophobicContact CB-CB 3.66Å; A419-K461 HydrophobicContact CB-CD 4.27Å; S420-K461 WeakPolarHBondContact OG-CD 3.25Å; S420-K461 WeakPolarHBondContact OG-CE 3.39Å; S420-K461 PolarHBondContact OG-NZ 3.35Å; S420-K461 VanDerWaalsContact OG-NZ 3.17Å; R425-K461 WeakPolarHBondContact CD-O 3.44Å; G457-K461 WeakPolarHBondContact O-CD 3.1Å; G457-K461 WeakPolarHBondContact O-CG 3.05Å; G457-K461 PolarHBondContact O-N 3.18Å; A458-K461 PolarHBondContact O-N 3.44Å; L459-K461 VanDerWaalsContact C-N 3.34Å; L459-K461 PolarHBondContact O-N 3.27Å; K461-S463 PolarHBondContact O-N 2.86Å; K461-L464 WeakPolarHBondContact O-CB 3.48Å; K461-L464 WeakPolarHBondContact O-CG 3.45Å; K461-L464 PolarHBondContact O-N 2.88Å; K461-Y498 PolarHBondContact NZ-OH 3.45Å; K461-E618 VanDerWaalsContact CE-CD 3.42Å; K461-E618 WeakPolarHBondContact CE-OE1 3.47Å; K461-E618 WeakPolarHBondContact CE-OE2 3.19Å; K461-E618 IonicContact NZ-OE1 3.14Å; K461-E618 PolarHBondContact NZ-OE1 3.47Å; K461-E618 IonicContact NZ-OE2 2.79Å; K461-E618 PolarHBondContact NZ-OE2 2.79Å
462M94Very high93.8Very high0 Ų014.8 Ų14.80%07%0.073CC..Hα-helixtrans-61.5-32.7175-69.5-55.7-69.300112.2A419 R425 L428 I435 A458 L459 L464 R465 M468 M472A419-M462 HydrophobicContact CB-CG 4.24Å; A419-M462 HydrophobicContact CB-SD 4.2Å; R425-M462 HydrophobicContact CB-CE 4.35Å; R425-M462 HydrophobicContact CB-SD 3.67Å; R425-M462 HydrophobicContact CG-SD 3.77Å; R425-M462 WeakPolarHBondContact O-CE 2.86Å; L428-M462 HydrophobicContact CB-CE 3.58Å; L428-M462 HydrophobicContact CB-SD 3.85Å; L428-M462 HydrophobicContact CD1-SD 4Å; I435-M462 HydrophobicContact CD1-CB 3.9Å; I435-M462 HydrophobicContact CD1-CE 3.74Å; I435-M462 HydrophobicContact CD1-CG 3.78Å; I435-M462 HydrophobicContact CG1-CE 4.45Å; A458-M462 WeakPolarHBondContact O-CB 3.15Å; A458-M462 VanDerWaalsContact O-CG 3.27Å; A458-M462 WeakPolarHBondContact O-CG 3.46Å; A458-M462 PolarHBondContact O-N 2.97Å; L459-M462 PolarHBondContact O-N 2.84Å; M462-L464 PolarHBondContact O-N 3.17Å; M462-L464 VanDerWaalsContact O-N 3.07Å; M462-R465 PolarHBondContact O-N 2.85Å; M462-R465 VanDerWaalsContact O-N 3.16Å; M462-M468 HydrophobicContact CE-CG 4Å; M462-M468 HydrophobicContact CE-SD 4.04Å; M462-M468 VanDerWaalsContact O-CB 3.31Å; M462-M468 WeakPolarHBondContact O-CB 3.49Å; M462-M472 HydrophobicContact CB-CE 3.68Å
463S94.6Very high93.9Very high0 Ų014.6 Ų14.60%07%0.074CC..THydrogen-bonded Turntrans-68.74.6171.883.40000114.8L459 Q460 K461 Q469 L502 N505 R702L459-S463 WeakPolarHBondContact O-CB 3.26Å; L459-S463 PolarHBondContact O-N 3.49Å; Q460-S463 WeakPolarHBondContact O-CB 3.5Å; Q460-S463 PolarHBondContact O-N 3.34Å; Q460-S463 PolarHBondContact O-OG 3.46Å; K461-S463 PolarHBondContact O-N 2.86Å; S463-Q469 WeakPolarHBondContact O-CG 3.3Å; S463-Q469 PolarHBondContact O-NE2 2.91Å; S463-L502 WeakPolarHBondContact OG-CD1 3.47Å; S463-N505 WeakPolarHBondContact OG-CB 3.32Å; S463-N505 PolarHBondContact OG-ND2 3.3Å; S463-R702 PolarHBondContact O-NH2 2.88Å
464L90.2Very high93.9Very high30 Ų3021.4 Ų21.416%0.15710%0.103CC..THydrogen-bonded Turntrans-70.2-34.5164.6-64.2174.1000111.7K461 M462 R702 T705K461-L464 WeakPolarHBondContact O-CB 3.48Å; K461-L464 WeakPolarHBondContact O-CG 3.45Å; K461-L464 PolarHBondContact O-N 2.88Å; M462-L464 PolarHBondContact O-N 3.17Å; M462-L464 VanDerWaalsContact O-N 3.07Å; L464-R702 PolarHBondContact O-NH1 3.36Å; L464-T705 HydrophobicContact CD1-CG2 3.96Å; L464-T705 HydrophobicContact CD2-CG2 4.37Å
465R87.6Confident93.9Very high11 Ų1123.9 Ų23.94%0.04211%0.114CC..SBendtrans-84.6128.8179.9-56.7-167738016.6112.6R425 M462 M468 Q469 D607 D610R425-R465 HydrophobicContact CB-CG 4.37Å; M462-R465 PolarHBondContact O-N 2.85Å; M462-R465 VanDerWaalsContact O-N 3.16Å; R465-M468 HydrophobicContact CB-CB 4.29Å; R465-M468 HydrophobicContact CB-CG 3.99Å; R465-M468 PolarHBondContact O-N 2.85Å; R465-M468 VanDerWaalsContact O-N 3.12Å; R465-Q469 PolarHBondContact O-N 2.91Å; R465-Q469 VanDerWaalsContact O-N 3.09Å; R465-D607 IonicContact NH2-OD1 3.29Å; R465-D607 PolarHBondContact NH2-OD1 3.29Å; R465-D607 VanDerWaalsContact NH2-OD1 3.14Å; R465-D607 IonicContact NH2-OD2 2.77Å; R465-D607 PolarHBondContact NH2-OD2 2.88Å; R465-D610 IonicContact CZ-OD1 3.67Å; R465-D610 IonicContact CZ-OD2 3.25Å; R465-D610 IonicContact NH1-OD1 3.64Å; R465-D610 PolarHBondContact NH1-OD1 3.33Å; R465-D610 IonicContact NH1-OD2 3.67Å; R465-D610 PolarHBondContact NH1-OD2 2.79Å; R465-D610 IonicContact NH2-OD1 2.88Å; R465-D610 IonicContact NH2-OD2 3.87Å; R465-D610 PolarHBondContact NH2-OD2 3.2Å
466R86.7Confident93.9Very high83 Ų8325.4 Ų25.431%0.31313%0.13SC..Hα-helixtrans-54-42.2179.9-57.1-179.2-175.8-1714.2114.5M468 Q469 T470 D604 D609R466-M468 VanDerWaalsContact C-N 3.34Å; R466-M468 PolarHBondContact O-N 3.32Å; R466-Q469 PolarHBondContact O-N 3.4Å; R466-T470 PolarHBondContact O-N 2.87Å; R466-T470 PolarHBondContact O-OG1 3.01Å; R466-D604 PolarHBondContact NH1-O 3.39Å; R466-D609 IonicContact CZ-OD2 3.4Å; R466-D609 VanDerWaalsContact CZ-OD2 3.24Å; R466-D609 IonicContact NE-OD2 3.52Å; R466-D609 PolarHBondContact NE-OD2 2.83Å; R466-D609 IonicContact NH2-OD1 3.33Å; R466-D609 IonicContact NH2-OD2 2.72Å; R466-D609 PolarHBondContact NH2-OD2 2.97Å
467P88.9Confident93.9Very high56 Ų5625.4 Ų25.436%0.36413%0.13SC..Hα-helixtrans-64.4-37.4177.8-2435.9000112.9T470 V471P467-T470 WeakPolarHBondContact O-CB 3.27Å; P467-T470 PolarHBondContact O-N 2.86Å; P467-V471 PolarHBondContact O-N 3.36Å; P467-V471 VanDerWaalsContact O-N 3.13Å
468M92Very high94Very high9 Ų925.7 Ų25.74%0.04413%0.131CC..Hα-helixtrans-73.5-36.7-178.6-58.7-64.795.300111.7S429 I435 M462 R465 R466 T470 V471 M472S429-M468 WeakPolarHBondContact CB-SD 3.35Å; I435-M468 HydrophobicContact CD1-SD 4.29Å; I435-M468 HydrophobicContact CG1-SD 3.48Å; I435-M468 WeakPolarHBondContact CG1-SD 3.34Å; M462-M468 HydrophobicContact CE-CG 4Å; M462-M468 HydrophobicContact CE-SD 4.04Å; M462-M468 VanDerWaalsContact O-CB 3.31Å; M462-M468 WeakPolarHBondContact O-CB 3.49Å; R465-M468 HydrophobicContact CB-CB 4.29Å; R465-M468 HydrophobicContact CB-CG 3.99Å; R465-M468 PolarHBondContact O-N 2.85Å; R465-M468 VanDerWaalsContact O-N 3.12Å; R466-M468 VanDerWaalsContact C-N 3.34Å; R466-M468 PolarHBondContact O-N 3.32Å; M468-T470 PolarHBondContact O-N 2.95Å; M468-V471 HydrophobicContact CE-CG2 4.41Å; M468-V471 PolarHBondContact O-N 3.39Å; M468-M472 HydrophobicContact CB-CE 4.45Å; M468-M472 VanDerWaalsContact O-CG 3.28Å; M468-M472 WeakPolarHBondContact O-CG 3.46Å; M468-M472 PolarHBondContact O-N 3.36Å
469Q94.2Very high94Very high8 Ų829.2 Ų29.24%0.03715%0.15CC..Hα-helixtrans-55.4-42.2167.4-65175.6-18.700111.2S463 R465 R466 V471 M472 I473 N505 L506 R509S463-Q469 WeakPolarHBondContact O-CG 3.3Å; S463-Q469 PolarHBondContact O-NE2 2.91Å; R465-Q469 PolarHBondContact O-N 2.91Å; R465-Q469 VanDerWaalsContact O-N 3.09Å; R466-Q469 PolarHBondContact O-N 3.4Å; Q469-V471 PolarHBondContact O-N 3.28Å; Q469-M472 PolarHBondContact O-N 3.24Å; Q469-I473 WeakPolarHBondContact O-CB 3.4Å; Q469-I473 WeakPolarHBondContact O-CD1 3.37Å; Q469-I473 WeakPolarHBondContact O-CG1 3.46Å; Q469-I473 PolarHBondContact O-N 3.45Å; Q469-N505 PolarHBondContact NE2-O 2.75Å; Q469-L506 HydrophobicContact CB-CD2 3.93Å; Q469-L506 HydrophobicContact CG-CD2 4.09Å; Q469-R509 HydrophobicContact CB-CG 4.04Å
470T92.6Very high93.9Very high23 Ų2331.2 Ų31.214%0.14116%0.157CC..Hα-helixtrans-65.6-38.8-179-52.90000112.1R466 P467 M468 K474 R509R466-T470 PolarHBondContact O-N 2.87Å; R466-T470 PolarHBondContact O-OG1 3.01Å; P467-T470 WeakPolarHBondContact O-CB 3.27Å; P467-T470 PolarHBondContact O-N 2.86Å; M468-T470 PolarHBondContact O-N 2.95Å; T470-K474 HydrophobicContact CG2-CD 4.41Å; T470-K474 WeakPolarHBondContact O-CB 3.4Å; T470-K474 WeakPolarHBondContact O-CG 3.48Å; T470-K474 PolarHBondContact O-N 3.41Å; T470-K474 VanDerWaalsContact O-N 3.07Å; T470-R509 PolarHBondContact OG1-NH2 3.24Å
471V93.9Very high93.9Very high21 Ų2131 Ų3113%0.12716%0.157CC..Hα-helixtrans-62.6-49.1170.6177.10000110.7I435 E436 P467 M468 Q469 I473 K474 Q475I435-V471 HydrophobicContact CB-CG1 4.2Å; I435-V471 HydrophobicContact CG2-CB 4.43Å; I435-V471 HydrophobicContact CG2-CG1 3.92Å; E436-V471 HydrophobicContact CG-CG1 3.85Å; P467-V471 PolarHBondContact O-N 3.36Å; P467-V471 VanDerWaalsContact O-N 3.13Å; M468-V471 HydrophobicContact CE-CG2 4.41Å; M468-V471 PolarHBondContact O-N 3.39Å; Q469-V471 PolarHBondContact O-N 3.28Å; V471-I473 VanDerWaalsContact C-N 3.32Å; V471-I473 PolarHBondContact O-N 3Å; V471-K474 PolarHBondContact O-N 3.42Å; V471-Q475 HydrophobicContact CG1-CG 4.36Å; V471-Q475 WeakPolarHBondContact O-CB 3.46Å; V471-Q475 WeakPolarHBondContact O-CG 3.5Å; V471-Q475 PolarHBondContact O-N 2.92Å
472M97.2Very high94Very high0 Ų031 Ų310%016%0.156CC..Hα-helixtrans-61-37.6179.7-68.6172.2-167.500113.1I435 I439 L459 M462 M468 Q469 G476 V477 L502 L506I435-M472 HydrophobicContact CD1-CE 4.44Å; I435-M472 HydrophobicContact CG2-CE 3.81Å; I435-M472 HydrophobicContact CG2-CG 3.93Å; I439-M472 HydrophobicContact CD1-CG 4.08Å; L459-M472 HydrophobicContact CB-CE 4.45Å; L459-M472 HydrophobicContact CD2-CE 3.84Å; L459-M472 WeakPolarHBondContact O-CE 3.41Å; M462-M472 HydrophobicContact CB-CE 3.68Å; M468-M472 HydrophobicContact CB-CE 4.45Å; M468-M472 VanDerWaalsContact O-CG 3.28Å; M468-M472 WeakPolarHBondContact O-CG 3.46Å; M468-M472 PolarHBondContact O-N 3.36Å; Q469-M472 PolarHBondContact O-N 3.24Å; M472-G476 PolarHBondContact O-N 3.15Å; M472-V477 HydrophobicContact CB-CB 4.01Å; M472-V477 HydrophobicContact CB-CG2 3.83Å; M472-V477 HydrophobicContact CG-CG2 4.2Å; M472-V477 VanDerWaalsContact O-CB 3.28Å; M472-V477 WeakPolarHBondContact O-CB 3.39Å; M472-V477 VanDerWaalsContact O-CG2 3.27Å; M472-V477 WeakPolarHBondContact O-CG2 3.46Å; M472-V477 PolarHBondContact O-N 2.91Å; M472-L502 HydrophobicContact SD-CD1 4.1Å; M472-L506 HydrophobicContact CB-CD1 4.09Å; M472-L506 HydrophobicContact CB-CD2 3.81Å; M472-L506 HydrophobicContact SD-CD2 4.1Å
473I96.1Very high94Very high13 Ų1334.1 Ų34.17%0.06717%0.173CC..Hα-helixtrans-67.9-47.7176.3-68.9160.5000110.4Q469 V471 Q475 G476 I478 L506 R509Q469-I473 WeakPolarHBondContact O-CB 3.4Å; Q469-I473 WeakPolarHBondContact O-CD1 3.37Å; Q469-I473 WeakPolarHBondContact O-CG1 3.46Å; Q469-I473 PolarHBondContact O-N 3.45Å; V471-I473 VanDerWaalsContact C-N 3.32Å; V471-I473 PolarHBondContact O-N 3Å; I473-Q475 VanDerWaalsContact C-N 3.29Å; I473-Q475 PolarHBondContact O-N 3.43Å; I473-G476 PolarHBondContact O-N 2.92Å; I473-I478 HydrophobicContact CG1-CD1 4.08Å; I473-L506 HydrophobicContact CG1-CB 4.28Å; I473-L506 HydrophobicContact CG1-CD2 4.25Å; I473-R509 HydrophobicContact CD1-CB 3.57Å; I473-R509 HydrophobicContact CD1-CG 3.84Å
474K95Very high94Very high176 Ų17635 Ų3577%0.76518%0.178SC*.Hα-helixtrans-59.4-39175.6-74174.6-180178.50112.2T470 V471 G476T470-K474 HydrophobicContact CG2-CD 4.41Å; T470-K474 WeakPolarHBondContact O-CB 3.4Å; T470-K474 WeakPolarHBondContact O-CG 3.48Å; T470-K474 PolarHBondContact O-N 3.41Å; T470-K474 VanDerWaalsContact O-N 3.07Å; V471-K474 PolarHBondContact O-N 3.42Å; K474-G476 PolarHBondContact O-N 2.89Å
475Q95.3Very high94.3Very high64 Ų6433.6 Ų33.630%0.29917%0.17SC..THydrogen-bonded Turntrans-78.63.5175.8-69.8-64.6-10.400114.3E436 I439 R443 V471 I473E436-Q475 HydrophobicContact CG-CG 4.14Å; E436-Q475 PolarHBondContact OE1-NE2 2.86Å; I439-Q475 HydrophobicContact CD1-CB 3.84Å; I439-Q475 HydrophobicContact CD1-CG 4.22Å; R443-Q475 PolarHBondContact NH2-O 3.33Å; V471-Q475 HydrophobicContact CG1-CG 4.36Å; V471-Q475 WeakPolarHBondContact O-CB 3.46Å; V471-Q475 WeakPolarHBondContact O-CG 3.5Å; V471-Q475 PolarHBondContact O-N 2.92Å; I473-Q475 VanDerWaalsContact C-N 3.29Å; I473-Q475 PolarHBondContact O-N 3.43Å
476G96.1Very high94.6Very high33 Ų3336.9 Ų36.934%0.3419%0.186SC..THydrogen-bonded Turntrans7424.5173.300000115.4M472 I473 K474 I478 L479 W480M472-G476 PolarHBondContact O-N 3.15Å; I473-G476 PolarHBondContact O-N 2.92Å; K474-G476 PolarHBondContact O-N 2.89Å; G476-I478 VanDerWaalsContact C-N 3.28Å; G476-I478 PolarHBondContact O-N 3.17Å; G476-L479 PolarHBondContact O-N 2.77Å; G476-W480 PolarHBondContact O-N 3.2Å
477V97.8Very high94.7Very high1 Ų137.2 Ų37.21%0.00619%0.194CC..Hα-helixtrans-60.5-34.2-178.5175.30000112.3I439 M472 L479 W480 V481 L502 L506I439-V477 HydrophobicContact CD1-CG2 3.52Å; I439-V477 HydrophobicContact CG1-CG2 3.7Å; I439-V477 HydrophobicContact CG2-CG2 3.98Å; M472-V477 HydrophobicContact CB-CB 4.01Å; M472-V477 HydrophobicContact CB-CG2 3.83Å; M472-V477 HydrophobicContact CG-CG2 4.2Å; M472-V477 VanDerWaalsContact O-CB 3.28Å; M472-V477 WeakPolarHBondContact O-CB 3.39Å; M472-V477 VanDerWaalsContact O-CG2 3.27Å; M472-V477 WeakPolarHBondContact O-CG2 3.46Å; M472-V477 PolarHBondContact O-N 2.91Å; V477-L479 VanDerWaalsContact C-N 3.33Å; V477-L479 PolarHBondContact O-N 3.37Å; V477-W480 HydrophobicContact CG1-CE3 4.43Å; V477-W480 PolarHBondContact O-N 3.1Å; V477-W480 VanDerWaalsContact O-N 3.12Å; V477-V481 HydrophobicContact CG1-CG2 3.85Å; V477-V481 WeakPolarHBondContact O-CG2 3.26Å; V477-V481 PolarHBondContact O-N 3.4Å; V477-L502 HydrophobicContact CG1-CD2 4.12Å; V477-L506 HydrophobicContact CB-CD1 3.88Å; V477-L506 HydrophobicContact CG1-CD1 3.7Å
478I96.7Very high94.6Very high5 Ų535.6 Ų35.63%0.02618%0.182CC..Hα-helixtrans-53.4-48.2176.6-66.5177000111.5I473 G476 W480 V481 I482 L506 C515 I519I473-I478 HydrophobicContact CG1-CD1 4.08Å; G476-I478 VanDerWaalsContact C-N 3.28Å; G476-I478 PolarHBondContact O-N 3.17Å; I478-W480 PolarHBondContact O-N 3.32Å; I478-V481 PolarHBondContact O-N 2.75Å; I478-I482 HydrophobicContact CG2-CD1 3.81Å; I478-I482 WeakPolarHBondContact O-CD1 3.5Å; I478-I482 VanDerWaalsContact O-CG1 3.3Å; I478-I482 WeakPolarHBondContact O-CG1 3.28Å; I478-I482 PolarHBondContact O-N 2.8Å; I478-L506 HydrophobicContact CD1-CB 3.96Å; I478-L506 HydrophobicContact CG1-CB 3.67Å; I478-L506 HydrophobicContact CG1-CD1 3.86Å; I478-L506 HydrophobicContact CG1-CG 4.43Å; I478-C515 HydrophobicContact CD1-CB 4.22Å; I478-I519 HydrophobicContact CG2-CD1 4.41Å
479L95.9Very high94.4Very high74 Ų7442.6 Ų42.639%0.38721%0.214SC..Hα-helixtrans-66.7-38.3179.8178.258.7000111.8G476 V477 I482 N483 I519G476-L479 PolarHBondContact O-N 2.77Å; V477-L479 VanDerWaalsContact C-N 3.33Å; V477-L479 PolarHBondContact O-N 3.37Å; L479-I482 PolarHBondContact O-N 2.75Å; L479-N483 PolarHBondContact O-N 3.14Å; L479-N483 PolarHBondContact O-OD1 3.38Å; L479-I519 HydrophobicContact CB-CD1 4.44Å; L479-I519 HydrophobicContact CD1-CD1 4.06Å; L479-I519 HydrophobicContact CD1-CG2 4.22Å
480W96.3Very high94.1Very high43 Ų4347.6 Ų47.616%0.16324%0.241CC..Hα-helixtrans-65.3-43.5176.6176.679.2000112V442 R443 V456 G476 V477 I478 I482 N483 L484V442-W480 HydrophobicContact CB-CH2 4.34Å; V442-W480 HydrophobicContact CB-CZ2 4.44Å; V442-W480 HydrophobicContact CG1-CH2 3.68Å; V442-W480 HydrophobicContact CG1-CZ2 3.83Å; V442-W480 HydrophobicContact CG1-CZ3 4.17Å; V442-W480 HydrophobicContact CG2-CH2 3.66Å; V442-W480 HydrophobicContact CG2-CZ2 3.92Å; R443-W480 HydrophobicContact CG-CG 4.38Å; V456-W480 HydrophobicContact CG2-CH2 3.92Å; G476-W480 PolarHBondContact O-N 3.2Å; V477-W480 HydrophobicContact CG1-CE3 4.43Å; V477-W480 PolarHBondContact O-N 3.1Å; V477-W480 VanDerWaalsContact O-N 3.12Å; I478-W480 PolarHBondContact O-N 3.32Å; W480-I482 VanDerWaalsContact C-N 3.35Å; W480-I482 PolarHBondContact O-N 3.04Å; W480-N483 PolarHBondContact O-N 2.96Å; W480-L484 HydrophobicContact CH2-CD2 4Å; W480-L484 HydrophobicContact CZ2-CD2 4.39Å; W480-L484 HydrophobicContact CZ3-CD2 4.35Å; W480-L484 PolarHBondContact O-N 3.49Å
481V97Very high94Very high1 Ų147.6 Ų47.61%0.00624%0.24CC..Hα-helixtrans-63.9-38.5175.9174.40000111.4V477 I478 L484 L485 A499 L502 C503V477-V481 HydrophobicContact CG1-CG2 3.85Å; V477-V481 WeakPolarHBondContact O-CG2 3.26Å; V477-V481 PolarHBondContact O-N 3.4Å; I478-V481 PolarHBondContact O-N 2.75Å; V481-L484 WeakPolarHBondContact O-CB 3.38Å; V481-L484 PolarHBondContact O-N 3.18Å; V481-L485 HydrophobicContact CG1-CD1 3.76Å; V481-L485 HydrophobicContact CG1-CG 4.23Å; V481-L485 WeakPolarHBondContact O-CB 3.47Å; V481-L485 VanDerWaalsContact O-CG 3.29Å; V481-L485 WeakPolarHBondContact O-CG 3.45Å; V481-L485 PolarHBondContact O-N 2.88Å; V481-A499 HydrophobicContact CG1-CB 4.35Å; V481-A499 VanDerWaalsContact CG1-O 3.29Å; V481-A499 WeakPolarHBondContact CG1-O 3.44Å; V481-L502 HydrophobicContact CG2-CD2 3.72Å; V481-L502 HydrophobicContact CG2-CG 4.08Å; V481-C503 HydrophobicContact CG1-CB 3.74Å
482I96.3Very high93.9Very high0 Ų048 Ų480%024%0.244CC..Hα-helixtrans-63.9-45.4174.6-68.6160.7000110.9I478 L479 W480 L484 L485 E486 I519 R522 L523 V526I478-I482 HydrophobicContact CG2-CD1 3.81Å; I478-I482 WeakPolarHBondContact O-CD1 3.5Å; I478-I482 VanDerWaalsContact O-CG1 3.3Å; I478-I482 WeakPolarHBondContact O-CG1 3.28Å; I478-I482 PolarHBondContact O-N 2.8Å; L479-I482 PolarHBondContact O-N 2.75Å; W480-I482 VanDerWaalsContact C-N 3.35Å; W480-I482 PolarHBondContact O-N 3.04Å; I482-L484 VanDerWaalsContact C-N 3.26Å; I482-L484 PolarHBondContact O-N 2.95Å; I482-L485 PolarHBondContact O-N 3.15Å; I482-E486 WeakPolarHBondContact O-CG 3.44Å; I482-E486 PolarHBondContact O-N 3.12Å; I482-I519 HydrophobicContact CD1-CD1 3.48Å; I482-I519 VanDerWaalsContact CD1-CD1 3.48Å; I482-I519 HydrophobicContact CD1-CG1 4.21Å; I482-R522 HydrophobicContact CG2-CB 4.43Å; I482-L523 HydrophobicContact CD1-CB 4.11Å; I482-L523 HydrophobicContact CD1-CD1 3.9Å; I482-L523 HydrophobicContact CD1-CG 4.41Å; I482-L523 HydrophobicContact CG1-CD1 3.98Å; I482-V526 HydrophobicContact CG2-CG2 4.42Å
483N94.7Very high93.6Very high65 Ų6553.9 Ų53.935%0.34828%0.276SS..Hα-helixtrans-60.9-34.7175.5-63.1-12.1000112.4L479 W480 N487 R522L479-N483 PolarHBondContact O-N 3.14Å; L479-N483 PolarHBondContact O-OD1 3.38Å; W480-N483 PolarHBondContact O-N 2.96Å; N483-N487 PolarHBondContact O-ND2 3.44Å; N483-R522 PolarHBondContact OD1-NH1 3.04Å; N483-R522 PolarHBondContact OD1-NH2 2.76Å
484L94.4Very high93.4Very high19 Ų1955.3 Ų55.310%0.09928%0.28CS..Hα-helixtrans-68.3-48.5175.7-173.368.7000110.8V456 W480 V481 I482 E486 N487 L491 T495 A499V456-L484 HydrophobicContact CG2-CD2 4.44Å; W480-L484 HydrophobicContact CH2-CD2 4Å; W480-L484 HydrophobicContact CZ2-CD2 4.39Å; W480-L484 HydrophobicContact CZ3-CD2 4.35Å; W480-L484 PolarHBondContact O-N 3.49Å; V481-L484 WeakPolarHBondContact O-CB 3.38Å; V481-L484 PolarHBondContact O-N 3.18Å; I482-L484 VanDerWaalsContact C-N 3.26Å; I482-L484 PolarHBondContact O-N 2.95Å; L484-E486 VanDerWaalsContact C-N 3.35Å; L484-E486 PolarHBondContact O-N 3.39Å; L484-N487 PolarHBondContact O-N 3.17Å; L484-L491 HydrophobicContact CD1-CD2 3.65Å; L484-L491 HydrophobicContact CG-CD1 4.17Å; L484-L491 HydrophobicContact CG-CD2 3.99Å; L484-T495 HydrophobicContact CD2-CG2 4.11Å; L484-A499 HydrophobicContact CD2-CB 4.14Å
485L95.3Very high93.4Very high1 Ų146.9 Ų46.91%0.00524%0.244CC..Hα-helixtrans-69.5-24.8-178.8-69.2173.2000113.9V481 I482 N487 M488 L491 L496 A499 V500 C503 V526 L530V481-L485 HydrophobicContact CG1-CD1 3.76Å; V481-L485 HydrophobicContact CG1-CG 4.23Å; V481-L485 WeakPolarHBondContact O-CB 3.47Å; V481-L485 VanDerWaalsContact O-CG 3.29Å; V481-L485 WeakPolarHBondContact O-CG 3.45Å; V481-L485 PolarHBondContact O-N 2.88Å; I482-L485 PolarHBondContact O-N 3.15Å; L485-N487 PolarHBondContact O-N 3.18Å; L485-M488 WeakPolarHBondContact O-CB 3.21Å; L485-M488 WeakPolarHBondContact O-CE 3.48Å; L485-M488 PolarHBondContact O-N 3.02Å; L485-L491 HydrophobicContact CD2-CD1 4.36Å; L485-L496 HydrophobicContact CD2-CD1 3.9Å; L485-A499 HydrophobicContact CD2-CB 3.85Å; L485-A499 HydrophobicContact CG-CB 4.29Å; L485-V500 HydrophobicContact CD1-CG2 4.07Å; L485-V500 HydrophobicContact CD2-CG2 3.63Å; L485-C503 HydrophobicContact CD1-CB 4.32Å; L485-V526 HydrophobicContact CB-CG1 3.58Å; L485-V526 HydrophobicContact CD1-CG1 4.43Å; L485-L530 HydrophobicContact CB-CD1 4.45Å; L485-L530 HydrophobicContact CD1-CD1 4.22Å; L485-L530 HydrophobicContact CD2-CD1 4.32Å
486E93.9Very high93.3Very high79 Ų7944.3 Ų44.337%0.36923%0.232SC..THydrogen-bonded Turntrans-58.7-24.3167.9-78.6177.4169.700112.5I482 L484 R522 V526I482-E486 WeakPolarHBondContact O-CG 3.44Å; I482-E486 PolarHBondContact O-N 3.12Å; L484-E486 VanDerWaalsContact C-N 3.35Å; L484-E486 PolarHBondContact O-N 3.39Å; E486-R522 IonicContact OE1-CZ 2.73Å; E486-R522 VanDerWaalsContact OE1-CZ 3.23Å; E486-R522 IonicContact OE1-NE 2.7Å; E486-R522 PolarHBondContact OE1-NE 2.87Å; E486-R522 IonicContact OE1-NH2 3.84Å; E486-R522 PolarHBondContact OE1-NH2 3.46Å; E486-R522 IonicContact OE2-CZ 3.08Å; E486-R522 IonicContact OE2-NE 3.55Å; E486-R522 IonicContact OE2-NH2 2.64Å; E486-R522 PolarHBondContact OE2-NH2 2.63Å; E486-V526 HydrophobicContact CB-CG2 4.43Å; E486-V526 HydrophobicContact CG-CG2 3.39Å
487N89.2Confident93.2Very high91 Ų9143.9 Ų43.949%0.48722%0.221SC..THydrogen-bonded Turntrans-101.429.9179.2-65.4-83.4000112.5N483 L484 L485 H489 N490N483-N487 PolarHBondContact O-ND2 3.44Å; L484-N487 PolarHBondContact O-N 3.17Å; L485-N487 PolarHBondContact O-N 3.18Å; N487-H489 PolarHBondContact O-N 2.93Å; N487-N490 PolarHBondContact O-N 3.47Å
488M88Confident93.1Very high22 Ų2243.9 Ų43.911%0.10822%0.221CC..G310 helixtrans-46.9-28.8-172.968.4-163.878.200116.2L485 N490 L496 D529 L530 I533L485-M488 WeakPolarHBondContact O-CB 3.21Å; L485-M488 WeakPolarHBondContact O-CE 3.48Å; L485-M488 PolarHBondContact O-N 3.02Å; M488-N490 VanDerWaalsContact C-N 3.26Å; M488-N490 PolarHBondContact O-N 3.45Å; M488-L496 HydrophobicContact CB-CD1 4.13Å; M488-D529 HydrophobicContact CE-CB 3.83Å; M488-D529 HydrophobicContact SD-CB 4.37Å; M488-L530 HydrophobicContact CB-CD2 4.2Å; M488-L530 HydrophobicContact SD-CD2 4.28Å; M488-I533 HydrophobicContact CG-CD1 4.39Å; M488-I533 HydrophobicContact SD-CD1 3.97Å
489H85.7Confident93.1Very high156 Ų15643.6 Ų43.672%0.72222%0.22SC*.G310 helixtrans-73.9-13.1179.7-56.1-31.5000114.3N487N487-H489 PolarHBondContact O-N 2.93Å
490N88.6Confident93.2Very high113 Ų11340.1 Ų40.160%0.60420%0.202SC*.G310 helixtrans-109.27.2-178-62.3-10.2000112.8N487 M488N487-N490 PolarHBondContact O-N 3.47Å; M488-N490 VanDerWaalsContact C-N 3.26Å; M488-N490 PolarHBondContact O-N 3.45Å
491L91.6Very high93.1Very high23 Ų2338.1 Ų38.112%0.1219%0.194CC..SBendtrans-99.3152.1178.7-52.5-177.6000110L484 L485 T495 L496L484-L491 HydrophobicContact CD1-CD2 3.65Å; L484-L491 HydrophobicContact CG-CD1 4.17Å; L484-L491 HydrophobicContact CG-CD2 3.99Å; L485-L491 HydrophobicContact CD2-CD1 4.36Å; L491-T495 HydrophobicContact CB-CG2 4.26Å; L491-T495 HydrophobicContact CD1-CG2 4.35Å; L491-T495 HydrophobicContact CD2-CG2 4.05Å; L491-T495 HydrophobicContact CG-CG2 4.44Å; L491-L496 HydrophobicContact CB-CB 4.46Å; L491-L496 HydrophobicContact CD1-CD1 4.06Å
492S91Very high93.2Very high30 Ų3038.1 Ų38.121%0.2119%0.194CC..  trans-72.6158.7164.2850000110.4E448 E453 Y494 T495 L496E448-S492 WeakPolarHBondContact OE1-CB 3.27Å; E448-S492 PolarHBondContact OE1-N 2.88Å; E448-S492 PolarHBondContact OE1-OG 3.26Å; E453-S492 VanDerWaalsContact OE1-CB 3.26Å; E453-S492 WeakPolarHBondContact OE1-CB 3.33Å; E453-S492 PolarHBondContact OE1-OG 3.44Å; S492-Y494 PolarHBondContact O-N 2.78Å; S492-Y494 WeakPolarHBondContact OG-CB 3.1Å; S492-Y494 PolarHBondContact OG-N 3.09Å; S492-T495 PolarHBondContact O-N 3.23Å; S492-T495 PolarHBondContact OG-N 3.26Å; S492-T495 VanDerWaalsContact OG-N 3.15Å; S492-L496 WeakPolarHBondContact O-CB 3.45Å; S492-L496 PolarHBondContact O-N 3.45Å
493D90.8Very high93.2Very high123 Ų12338.1 Ų38.166%0.65819%0.194SC*.Hα-helixtrans-55.6-32.8173.9-64.3-58.4000111.7E497D493-E497 WeakPolarHBondContact O-CB 3.33Å; D493-E497 PolarHBondContact O-N 2.92Å
494Y91.7Very high93.2Very high42 Ų4235.4 Ų35.417%0.16518%0.18CC..Hα-helixtrans-66.5-54.6175.8-169.8-80.7000111.2N416 E453 S492 L496 E497 Y498 D620N416-Y494 PolarHBondContact ND2-OH 3.41Å; E453-Y494 HydrophobicContact CB-CD1 3.8Å; E453-Y494 HydrophobicContact CB-CE1 4.21Å; E453-Y494 HydrophobicContact CG-CD1 4.27Å; E453-Y494 WeakPolarHBondContact O-CE1 3.14Å; S492-Y494 PolarHBondContact O-N 2.78Å; S492-Y494 WeakPolarHBondContact OG-CB 3.1Å; S492-Y494 PolarHBondContact OG-N 3.09Å; Y494-L496 PolarHBondContact O-N 2.77Å; Y494-E497 PolarHBondContact O-N 3.28Å; Y494-Y498 AromaticContact CD1-CD2 3.77Å; Y494-Y498 HydrophobicContact CD1-CD2 3.77Å; Y494-Y498 HydrophobicContact CD1-CE2 4.19Å; Y494-Y498 HydrophobicContact CD2-CD2 4.14Å; Y494-Y498 AromaticContact CD2-CE2 3.83Å; Y494-Y498 HydrophobicContact CD2-CE2 3.83Å; Y494-Y498 AromaticContact CE1-CD2 3.59Å; Y494-Y498 HydrophobicContact CE1-CD2 3.59Å; Y494-Y498 AromaticContact CE1-CE2 3.77Å; Y494-Y498 HydrophobicContact CE1-CE2 3.77Å; Y494-Y498 HydrophobicContact CE1-CG 4.3Å; Y494-Y498 AromaticContact CE2-CD2 3.99Å; Y494-Y498 HydrophobicContact CE2-CD2 3.99Å; Y494-Y498 AromaticContact CE2-CE2 3.39Å; Y494-Y498 HydrophobicContact CE2-CE2 3.39Å; Y494-Y498 HydrophobicContact CG-CD2 4.04Å; Y494-Y498 HydrophobicContact CG-CE2 4.21Å; Y494-Y498 AromaticContact CZ-CD2 3.71Å; Y494-Y498 AromaticContact CZ-CE2 3.34Å; Y494-Y498 AromaticContact CZ-CZ 3.97Å; Y494-Y498 WeakPolarHBondContact O-CD2 3.38Å; Y494-Y498 PolarHBondContact O-N 2.77Å; Y494-Y498 VanDerWaalsContact O-N 3.1Å; Y494-D620 WeakPolarHBondContact CE2-OD2 3.3Å
495T94.7Very high93.3Very high0 Ų034.8 Ų34.80%018%0.176CC..Hα-helixtrans-59.6-39.4177.3-67.80000111.1E448 E453 V456 L484 L491 S492 A499E448-T495 WeakPolarHBondContact OE1-CB 3.42Å; E448-T495 PolarHBondContact OE1-OG1 2.97Å; E453-T495 WeakPolarHBondContact CG-OG1 3.47Å; V456-T495 HydrophobicContact CG2-CG2 4.39Å; L484-T495 HydrophobicContact CD2-CG2 4.11Å; L491-T495 HydrophobicContact CB-CG2 4.26Å; L491-T495 HydrophobicContact CD1-CG2 4.35Å; L491-T495 HydrophobicContact CD2-CG2 4.05Å; L491-T495 HydrophobicContact CG-CG2 4.44Å; S492-T495 PolarHBondContact O-N 3.23Å; S492-T495 PolarHBondContact OG-N 3.26Å; S492-T495 VanDerWaalsContact OG-N 3.15Å; T495-A499 WeakPolarHBondContact O-CB 3.26Å; T495-A499 PolarHBondContact O-N 2.89Å
496L94.7Very high93.3Very high10 Ų1034.7 Ų34.75%0.05218%0.176CC..Hα-helixtrans-61.4-55.5177.6-173.269.1000111.7L485 M488 L491 S492 Y494 Y498 A499 V500 L530 I533L485-L496 HydrophobicContact CD2-CD1 3.9Å; M488-L496 HydrophobicContact CB-CD1 4.13Å; L491-L496 HydrophobicContact CB-CB 4.46Å; L491-L496 HydrophobicContact CD1-CD1 4.06Å; S492-L496 WeakPolarHBondContact O-CB 3.45Å; S492-L496 PolarHBondContact O-N 3.45Å; Y494-L496 PolarHBondContact O-N 2.77Å; L496-Y498 PolarHBondContact O-N 3.23Å; L496-A499 PolarHBondContact O-N 3.48Å; L496-V500 WeakPolarHBondContact O-CG2 3.33Å; L496-V500 PolarHBondContact O-N 3.39Å; L496-L530 HydrophobicContact CD1-CD2 3.76Å; L496-I533 HydrophobicContact CD2-CD1 4.38Å
497E93.5Very high93.3Very high23 Ų2331 Ų3111%0.10716%0.158CC..Hα-helixtrans-64.2-45.5-175.5-161.2-172.5162.500111.8D493 Y494 A499 V500 A501 I538 Y541 P706D493-E497 WeakPolarHBondContact O-CB 3.33Å; D493-E497 PolarHBondContact O-N 2.92Å; Y494-E497 PolarHBondContact O-N 3.28Å; E497-A499 PolarHBondContact O-N 3.12Å; E497-V500 PolarHBondContact O-N 3.32Å; E497-A501 WeakPolarHBondContact O-CB 3.35Å; E497-A501 PolarHBondContact O-N 3.08Å; E497-I538 HydrophobicContact CB-CG2 4.15Å; E497-I538 HydrophobicContact CG-CG2 3.92Å; E497-Y541 HydrophobicContact CG-CD2 4.44Å; E497-Y541 HydrophobicContact CG-CE2 3.77Å; E497-Y541 WeakPolarHBondContact OE1-CE2 3.42Å; E497-Y541 PolarHBondContact OE1-OH 2.79Å; E497-P706 HydrophobicContact CB-CB 4.48Å; E497-P706 VanDerWaalsContact CD-CB 3.41Å; E497-P706 HydrophobicContact CG-CB 3.94Å; E497-P706 HydrophobicContact CG-CG 3.92Å; E497-P706 WeakPolarHBondContact OE1-CA 3.35Å; E497-P706 VanDerWaalsContact OE1-CB 3.29Å; E497-P706 WeakPolarHBondContact OE1-CB 3.29Å
498Y95.6Very high93.3Very high1 Ų129.5 Ų29.50%0.00415%0.15CC..Hα-helixtrans-68-33.2177.6-78.7-84.5000112.8Q460 K461 Y494 L496 L502 E618 P706 S707Q460-Y498 HydrophobicContact CB-CD1 3.82Å; Q460-Y498 HydrophobicContact CG-CD1 3.86Å; Q460-Y498 WeakPolarHBondContact CG-O 3.36Å; K461-Y498 PolarHBondContact NZ-OH 3.45Å; Y494-Y498 AromaticContact CD1-CD2 3.77Å; Y494-Y498 HydrophobicContact CD1-CD2 3.77Å; Y494-Y498 HydrophobicContact CD1-CE2 4.19Å; Y494-Y498 HydrophobicContact CD2-CD2 4.14Å; Y494-Y498 AromaticContact CD2-CE2 3.83Å; Y494-Y498 HydrophobicContact CD2-CE2 3.83Å; Y494-Y498 AromaticContact CE1-CD2 3.59Å; Y494-Y498 HydrophobicContact CE1-CD2 3.59Å; Y494-Y498 AromaticContact CE1-CE2 3.77Å; Y494-Y498 HydrophobicContact CE1-CE2 3.77Å; Y494-Y498 HydrophobicContact CE1-CG 4.3Å; Y494-Y498 AromaticContact CE2-CD2 3.99Å; Y494-Y498 HydrophobicContact CE2-CD2 3.99Å; Y494-Y498 AromaticContact CE2-CE2 3.39Å; Y494-Y498 HydrophobicContact CE2-CE2 3.39Å; Y494-Y498 HydrophobicContact CG-CD2 4.04Å; Y494-Y498 HydrophobicContact CG-CE2 4.21Å; Y494-Y498 AromaticContact CZ-CD2 3.71Å; Y494-Y498 AromaticContact CZ-CE2 3.34Å; Y494-Y498 AromaticContact CZ-CZ 3.97Å; Y494-Y498 WeakPolarHBondContact O-CD2 3.38Å; Y494-Y498 PolarHBondContact O-N 2.77Å; Y494-Y498 VanDerWaalsContact O-N 3.1Å; L496-Y498 PolarHBondContact O-N 3.23Å; Y498-L502 VanDerWaalsContact O-CB 3.26Å; Y498-L502 WeakPolarHBondContact O-CB 3.41Å; Y498-L502 PolarHBondContact O-N 3.32Å; Y498-E618 PolarHBondContact OH-OE1 3.06Å; Y498-P706 HydrophobicContact CD1-CB 4.36Å; Y498-P706 HydrophobicContact CD1-CG 3.86Å; Y498-P706 HydrophobicContact CD2-CB 4.1Å; Y498-P706 HydrophobicContact CD2-CG 4.22Å; Y498-P706 HydrophobicContact CE1-CB 4.02Å; Y498-P706 HydrophobicContact CE1-CG 3.87Å; Y498-P706 HydrophobicContact CE2-CB 3.69Å; Y498-P706 HydrophobicContact CE2-CG 4.21Å; Y498-P706 HydrophobicContact CG-CB 4.43Å; Y498-P706 HydrophobicContact CG-CG 4.07Å; Y498-S707 WeakPolarHBondContact OH-CB 3.5Å; Y498-S707 PolarHBondContact OH-OG 2.78Å
499A96.9Very high93.4Very high0 Ų029.5 Ų29.50%015%0.149CC..Hα-helixtrans-68.4-41.7174.500000112.4V456 V481 L484 L485 T495 L496 E497 L502 C503V456-A499 HydrophobicContact CG1-CB 4.17Å; V481-A499 HydrophobicContact CG1-CB 4.35Å; V481-A499 VanDerWaalsContact CG1-O 3.29Å; V481-A499 WeakPolarHBondContact CG1-O 3.44Å; L484-A499 HydrophobicContact CD2-CB 4.14Å; L485-A499 HydrophobicContact CD2-CB 3.85Å; L485-A499 HydrophobicContact CG-CB 4.29Å; T495-A499 WeakPolarHBondContact O-CB 3.26Å; T495-A499 PolarHBondContact O-N 2.89Å; L496-A499 PolarHBondContact O-N 3.48Å; E497-A499 PolarHBondContact O-N 3.12Å; A499-L502 PolarHBondContact O-N 2.98Å; A499-C503 WeakPolarHBondContact O-CB 3.47Å; A499-C503 PolarHBondContact O-N 2.89Å
500V96.6Very high93.6Very high1 Ų122.6 Ų22.61%0.00612%0.118CC..Hα-helixtrans-66.7-41.5175.5-177.20000110.7L485 L496 E497 L502 C503 M504 L530 I542L485-V500 HydrophobicContact CD1-CG2 4.07Å; L485-V500 HydrophobicContact CD2-CG2 3.63Å; L496-V500 WeakPolarHBondContact O-CG2 3.33Å; L496-V500 PolarHBondContact O-N 3.39Å; E497-V500 PolarHBondContact O-N 3.32Å; V500-L502 PolarHBondContact O-N 3.47Å; V500-C503 WeakPolarHBondContact O-CB 3.39Å; V500-C503 PolarHBondContact O-N 2.75Å; V500-M504 PolarHBondContact O-N 2.95Å; V500-L530 HydrophobicContact CG2-CD1 3.8Å; V500-L530 HydrophobicContact CG2-CD2 4.45Å; V500-I542 HydrophobicContact CG1-CG1 3.67Å
501A95.8Very high93.7Very high1 Ų118.5 Ų18.51%0.00810%0.098CC..Hα-helixtrans-64.7-36175.500000112.8Q460 E497 N505 Y541 P706Q460-A501 HydrophobicContact CG-CB 3.85Å; E497-A501 WeakPolarHBondContact O-CB 3.35Å; E497-A501 PolarHBondContact O-N 3.08Å; A501-N505 WeakPolarHBondContact O-CB 3.29Å; A501-N505 VanDerWaalsContact O-CG 3.27Å; A501-N505 PolarHBondContact O-N 2.67Å; A501-N505 PolarHBondContact O-ND2 3.03Å; A501-Y541 HydrophobicContact CB-CD1 3.73Å; A501-Y541 HydrophobicContact CB-CD2 4.1Å; A501-Y541 HydrophobicContact CB-CE1 3.88Å; A501-Y541 HydrophobicContact CB-CE2 4.26Å; A501-Y541 HydrophobicContact CB-CG 3.87Å; A501-P706 HydrophobicContact CB-CG 4.1Å
502L97.3Very high93.8Very high0 Ų017.4 Ų17.40%09%0.093CC..Hα-helixtrans-66.1-44.6171.5174.458.5000111.4L459 Q460 S463 M472 V477 V481 Y498 A499 V500 M504 N505 L506L459-L502 HydrophobicContact CB-CD2 4.15Å; Q460-L502 HydrophobicContact CB-CB 4.05Å; Q460-L502 HydrophobicContact CG-CB 4.07Å; S463-L502 WeakPolarHBondContact OG-CD1 3.47Å; M472-L502 HydrophobicContact SD-CD1 4.1Å; V477-L502 HydrophobicContact CG1-CD2 4.12Å; V481-L502 HydrophobicContact CG2-CD2 3.72Å; V481-L502 HydrophobicContact CG2-CG 4.08Å; Y498-L502 VanDerWaalsContact O-CB 3.26Å; Y498-L502 WeakPolarHBondContact O-CB 3.41Å; Y498-L502 PolarHBondContact O-N 3.32Å; A499-L502 PolarHBondContact O-N 2.98Å; V500-L502 PolarHBondContact O-N 3.47Å; L502-M504 VanDerWaalsContact C-N 3.33Å; L502-M504 PolarHBondContact O-N 2.95Å; L502-N505 PolarHBondContact O-N 2.71Å; L502-L506 HydrophobicContact CD1-CD1 3.98Å; L502-L506 HydrophobicContact CD1-CD2 4.36Å; L502-L506 HydrophobicContact CD1-CG 3.97Å; L502-L506 HydrophobicContact CG-CD1 4.39Å; L502-L506 WeakPolarHBondContact O-CG 3.47Å; L502-L506 PolarHBondContact O-N 3Å
503C97.4Very high93.9Very high1 Ų117.3 Ų17.31%0.0079%0.089CC..Hα-helixtrans-56.1-48.4175.3-167.60000111.3V481 L485 A499 V500 L506 C507V481-C503 HydrophobicContact CG1-CB 3.74Å; L485-C503 HydrophobicContact CD1-CB 4.32Å; A499-C503 WeakPolarHBondContact O-CB 3.47Å; A499-C503 PolarHBondContact O-N 2.89Å; V500-C503 WeakPolarHBondContact O-CB 3.39Å; V500-C503 PolarHBondContact O-N 2.75Å; C503-L506 PolarHBondContact O-N 2.64Å; C503-C507 WeakPolarHBondContact O-CB 3.5Å; C503-C507 PolarHBondContact O-N 3.48Å; C503-C507 PolarHBondContact O-SG 3.17Å
504M95.4Very high93.9Very high8 Ų817.6 Ų17.64%0.0398%0.08CC..Hα-helixtrans-58-52.4176.1-176.7-84.7-170.900111.6V500 L502 L506 C507 L508 Y541 A545 P703V500-M504 PolarHBondContact O-N 2.95Å; L502-M504 VanDerWaalsContact C-N 3.33Å; L502-M504 PolarHBondContact O-N 2.95Å; M504-L506 PolarHBondContact O-N 3.31Å; M504-C507 CarbonylContact O-C 3.58Å; M504-C507 PolarHBondContact O-N 3.01Å; M504-C507 VanDerWaalsContact O-N 3.08Å; M504-L508 HydrophobicContact CE-CD1 4.07Å; M504-L508 HydrophobicContact CE-CD2 4.03Å; M504-L508 HydrophobicContact CE-CG 4.32Å; M504-L508 PolarHBondContact O-N 3.04Å; M504-L508 VanDerWaalsContact O-N 3.15Å; M504-L508 HydrophobicContact SD-CD1 3.9Å; M504-L508 HydrophobicContact SD-CD2 4.38Å; M504-L508 HydrophobicContact SD-CG 4.09Å; M504-Y541 WeakPolarHBondContact CB-O 3.36Å; M504-Y541 WeakPolarHBondContact CG-O 3.23Å; M504-A545 HydrophobicContact CB-CB 4.17Å; M504-A545 HydrophobicContact CG-CB 4.34Å; M504-P703 HydrophobicContact CE-CG 4.44Å
505N94.6Very high94Very high5 Ų518.3 Ų18.33%0.0279%0.091CC..Hα-helixtrans-54.7-47.4179.8-80.5-22.8000112.7Q460 S463 Q469 A501 L502 C507 L508 R702Q460-N505 PolarHBondContact NE2-ND2 3.45Å; S463-N505 WeakPolarHBondContact OG-CB 3.32Å; S463-N505 PolarHBondContact OG-ND2 3.3Å; Q469-N505 PolarHBondContact NE2-O 2.75Å; A501-N505 WeakPolarHBondContact O-CB 3.29Å; A501-N505 VanDerWaalsContact O-CG 3.27Å; A501-N505 PolarHBondContact O-N 2.67Å; A501-N505 PolarHBondContact O-ND2 3.03Å; L502-N505 PolarHBondContact O-N 2.71Å; N505-C507 VanDerWaalsContact C-N 3.35Å; N505-L508 PolarHBondContact O-N 3.42Å; N505-R702 PolarHBondContact OD1-NE 2.76Å; N505-R702 VanDerWaalsContact OD1-NE 3.12Å; N505-R702 PolarHBondContact OD1-NH2 2.79Å
506L95.3Very high94Very high0 Ų018.3 Ų18.30%09%0.091CC..Hα-helixtrans-70-32.2178.9-58.8-176.9000112.1Q469 M472 I473 V477 I478 L502 C503 M504 L508 R509Q469-L506 HydrophobicContact CB-CD2 3.93Å; Q469-L506 HydrophobicContact CG-CD2 4.09Å; M472-L506 HydrophobicContact CB-CD1 4.09Å; M472-L506 HydrophobicContact CB-CD2 3.81Å; M472-L506 HydrophobicContact SD-CD2 4.1Å; I473-L506 HydrophobicContact CG1-CB 4.28Å; I473-L506 HydrophobicContact CG1-CD2 4.25Å; V477-L506 HydrophobicContact CB-CD1 3.88Å; V477-L506 HydrophobicContact CG1-CD1 3.7Å; I478-L506 HydrophobicContact CD1-CB 3.96Å; I478-L506 HydrophobicContact CG1-CB 3.67Å; I478-L506 HydrophobicContact CG1-CD1 3.86Å; I478-L506 HydrophobicContact CG1-CG 4.43Å; L502-L506 HydrophobicContact CD1-CD1 3.98Å; L502-L506 HydrophobicContact CD1-CD2 4.36Å; L502-L506 HydrophobicContact CD1-CG 3.97Å; L502-L506 HydrophobicContact CG-CD1 4.39Å; L502-L506 WeakPolarHBondContact O-CG 3.47Å; L502-L506 PolarHBondContact O-N 3Å; C503-L506 PolarHBondContact O-N 2.64Å; M504-L506 PolarHBondContact O-N 3.31Å; L506-L508 VanDerWaalsContact C-N 3.25Å; L506-L508 PolarHBondContact O-N 2.84Å; L506-R509 PolarHBondContact O-N 3.14Å
507C94.2Very high94Very high0 Ų021 Ų210%011%0.105CC..Hα-helixtrans-72.7-9.1175.1-69.40000114.3C503 M504 N505 K513 S548 I549C503-C507 WeakPolarHBondContact O-CB 3.5Å; C503-C507 PolarHBondContact O-N 3.48Å; C503-C507 PolarHBondContact O-SG 3.17Å; M504-C507 CarbonylContact O-C 3.58Å; M504-C507 PolarHBondContact O-N 3.01Å; M504-C507 VanDerWaalsContact O-N 3.08Å; N505-C507 VanDerWaalsContact C-N 3.35Å; C507-K513 WeakPolarHBondContact O-CG 3.14Å; C507-S548 WeakPolarHBondContact O-CB 3.34Å; C507-S548 PolarHBondContact O-OG 3.14Å; C507-I549 HydrophobicContact CB-CG2 3.91Å
508L90.3Very high94Very high61 Ų6125.1 Ų25.132%0.31913%0.133SC..Hα-helixtrans-73.9-30.5172.1-66.4178.9000112.7M504 N505 L506 K513M504-L508 HydrophobicContact CE-CD1 4.07Å; M504-L508 HydrophobicContact CE-CD2 4.03Å; M504-L508 HydrophobicContact CE-CG 4.32Å; M504-L508 PolarHBondContact O-N 3.04Å; M504-L508 VanDerWaalsContact O-N 3.15Å; M504-L508 HydrophobicContact SD-CD1 3.9Å; M504-L508 HydrophobicContact SD-CD2 4.38Å; M504-L508 HydrophobicContact SD-CG 4.09Å; N505-L508 PolarHBondContact O-N 3.42Å; L506-L508 VanDerWaalsContact C-N 3.25Å; L506-L508 PolarHBondContact O-N 2.84Å; L508-K513 WeakPolarHBondContact O-CE 3.26Å; L508-K513 PolarHBondContact O-NZ 3.48Å
509R89.6Confident93.9Very high22 Ų2226.5 Ų26.58%0.08314%0.141CC..SBendtrans-71.7148179.9-68.3-73.4-80.5164.3-12.6112Q469 T470 I473 L506 G512 K513 D602Q469-R509 HydrophobicContact CB-CG 4.04Å; T470-R509 PolarHBondContact OG1-NH2 3.24Å; I473-R509 HydrophobicContact CD1-CB 3.57Å; I473-R509 HydrophobicContact CD1-CG 3.84Å; L506-R509 PolarHBondContact O-N 3.14Å; R509-G512 WeakPolarHBondContact O-CA 3.36Å; R509-G512 PolarHBondContact O-N 3.18Å; R509-G512 VanDerWaalsContact O-N 3.14Å; R509-K513 WeakPolarHBondContact O-CG 3.43Å; R509-K513 PolarHBondContact O-N 3.07Å; R509-D602 IonicContact CZ-OD1 2.83Å; R509-D602 IonicContact CZ-OD2 2.71Å; R509-D602 IonicContact NE-OD1 2.68Å; R509-D602 PolarHBondContact NE-OD1 3.03Å; R509-D602 IonicContact NE-OD2 2.75Å; R509-D602 VanDerWaalsContact NH1-CG 3.32Å; R509-D602 PolarHBondContact NH1-O 3.32Å; R509-D602 IonicContact NH1-OD1 3.15Å; R509-D602 PolarHBondContact NH1-OD1 3.37Å; R509-D602 PolarHBondContact NH2-O 2.9Å; R509-D602 IonicContact NH2-OD1 3.73Å
510S89.4Confident93.8Very high10 Ų1026.7 Ų26.77%0.0714%0.142CC..Hα-helixtrans-79.2-27.4-175.1-77.80000113.1K513 R514 D600 D602S510-K513 PolarHBondContact OG-NZ 3.23Å; S510-R514 VanDerWaalsContact O-CG 3.29Å; S510-R514 WeakPolarHBondContact O-CG 3.31Å; S510-R514 PolarHBondContact O-N 2.74Å; S510-D600 WeakPolarHBondContact CB-OD2 3.43Å; S510-D600 PolarHBondContact OG-OD2 2.91Å; S510-D602 PolarHBondContact N-OD1 2.92Å; S510-D602 PolarHBondContact N-OD2 3.46Å
511S91.4Very high93.7Very high27 Ų2728.1 Ų28.119%0.18916%0.157CC..Hα-helixtrans-60.5-46.8158.151.40000112.4K513 R514 C515 D602S511-K513 PolarHBondContact O-N 2.7Å; S511-R514 WeakPolarHBondContact O-CB 3.48Å; S511-R514 PolarHBondContact O-N 3.01Å; S511-R514 VanDerWaalsContact O-N 3.1Å; S511-C515 PolarHBondContact O-N 2.91Å; S511-C515 PolarHBondContact O-SG 3.11Å; S511-D602 WeakPolarHBondContact CB-OD2 3.32Å; S511-D602 PolarHBondContact N-OD2 2.89Å; S511-D602 PolarHBondContact OG-OD2 2.74Å
512G93.2Very high93.7Very high0 Ų032.5 Ų32.50%017%0.173CC..Hα-helixtrans-58.1-47.6179.400000113.2R509 R514 C515 C516R509-G512 WeakPolarHBondContact O-CA 3.36Å; R509-G512 PolarHBondContact O-N 3.18Å; R509-G512 VanDerWaalsContact O-N 3.14Å; G512-R514 VanDerWaalsContact C-N 3.29Å; G512-R514 PolarHBondContact O-N 2.96Å; G512-C515 WeakPolarHBondContact O-CB 3.05Å; G512-C515 PolarHBondContact O-N 2.83Å; G512-C515 VanDerWaalsContact O-N 3.13Å; G512-C516 PolarHBondContact O-N 2.68Å; G512-C516 PolarHBondContact O-SG 3.19Å; G512-C516 VanDerWaalsContact O-SG 3.38Å
513K92.7Very high93.6Very high29 Ų2932.5 Ų32.513%0.12617%0.173CC..Hα-helixtrans-54.5-43.4173.2-63.8162.2-156.9144.80111.7C507 L508 R509 S510 S511 C516 S548 L552C507-K513 WeakPolarHBondContact O-CG 3.14Å; L508-K513 WeakPolarHBondContact O-CE 3.26Å; L508-K513 PolarHBondContact O-NZ 3.48Å; R509-K513 WeakPolarHBondContact O-CG 3.43Å; R509-K513 PolarHBondContact O-N 3.07Å; S510-K513 PolarHBondContact OG-NZ 3.23Å; S511-K513 PolarHBondContact O-N 2.7Å; K513-C516 WeakPolarHBondContact O-CB 3.29Å; K513-C516 PolarHBondContact O-N 2.61Å; K513-S548 WeakPolarHBondContact CE-OG 3.42Å; K513-L552 HydrophobicContact CB-CD1 3.72Å; K513-L552 HydrophobicContact CB-CG 4.24Å; K513-L552 WeakPolarHBondContact O-CD1 3.26Å
514R92.7Very high93.5Very high129 Ų12932.5 Ų32.549%0.48717%0.173SC..Hα-helixtrans-65.5-40.1177.8-66.1167.4-168.3145.43.5111.8S510 S511 G512 C516 I517S510-R514 VanDerWaalsContact O-CG 3.29Å; S510-R514 WeakPolarHBondContact O-CG 3.31Å; S510-R514 PolarHBondContact O-N 2.74Å; S511-R514 WeakPolarHBondContact O-CB 3.48Å; S511-R514 PolarHBondContact O-N 3.01Å; S511-R514 VanDerWaalsContact O-N 3.1Å; G512-R514 VanDerWaalsContact C-N 3.29Å; G512-R514 PolarHBondContact O-N 2.96Å; R514-C516 PolarHBondContact O-N 3.24Å; R514-I517 HydrophobicContact CB-CD1 4.48Å; R514-I517 WeakPolarHBondContact O-CB 3.26Å; R514-I517 WeakPolarHBondContact O-CG1 3.2Å; R514-I517 PolarHBondContact O-N 3.3Å; R514-I517 VanDerWaalsContact O-N 3.14Å
515C93.2Very high93.5Very high56 Ų5636 Ų3638%0.37819%0.192SC..Hα-helixtrans-61.9-24.2175.1-680000113.6I478 S511 G512 P518I478-C515 HydrophobicContact CD1-CB 4.22Å; S511-C515 PolarHBondContact O-N 2.91Å; S511-C515 PolarHBondContact O-SG 3.11Å; G512-C515 WeakPolarHBondContact O-CB 3.05Å; G512-C515 PolarHBondContact O-N 2.83Å; G512-C515 VanDerWaalsContact O-N 3.13Å; C515-P518 WeakPolarHBondContact O-CD 3.35Å
516C94.5Very high93.5Very high0 Ų036 Ų360%019%0.192CC..THydrogen-bonded Turntrans-76.3-18.1176.2-64.20000114.1G512 K513 R514 I519 T520 L523 I555G512-C516 PolarHBondContact O-N 2.68Å; G512-C516 PolarHBondContact O-SG 3.19Å; G512-C516 VanDerWaalsContact O-SG 3.38Å; K513-C516 WeakPolarHBondContact O-CB 3.29Å; K513-C516 PolarHBondContact O-N 2.61Å; R514-C516 PolarHBondContact O-N 3.24Å; C516-I519 CarbonylContact O-C 3.59Å; C516-I519 PolarHBondContact O-N 3.33Å; C516-T520 WeakPolarHBondContact O-CA 3.46Å; C516-T520 PolarHBondContact O-N 2.98Å; C516-T520 PolarHBondContact O-OG1 3.4Å; C516-L523 HydrophobicContact CB-CD2 3.71Å; C516-I555 HydrophobicContact CB-CD1 4.08Å
517I93.7Very high93.4Very high67 Ų6736 Ų3634%0.34419%0.192SC..G310 helixtrans-54.1-56.5-178.6-61170.6000112.8R514 I519 T520 L552 E554 I555R514-I517 HydrophobicContact CB-CD1 4.48Å; R514-I517 WeakPolarHBondContact O-CB 3.26Å; R514-I517 WeakPolarHBondContact O-CG1 3.2Å; R514-I517 PolarHBondContact O-N 3.3Å; R514-I517 VanDerWaalsContact O-N 3.14Å; I517-I519 PolarHBondContact O-N 2.92Å; I517-I519 VanDerWaalsContact O-N 3.1Å; I517-T520 PolarHBondContact O-N 2.72Å; I517-T520 PolarHBondContact O-OG1 2.94Å; I517-T520 VanDerWaalsContact O-OG1 3.11Å; I517-L552 HydrophobicContact CD1-CD1 4.07Å; I517-L552 HydrophobicContact CG1-CD1 4.05Å; I517-E554 HydrophobicContact CG2-CB 4.48Å; I517-I555 HydrophobicContact CG1-CD1 4.48Å; I517-I555 HydrophobicContact CG1-CG1 4.45Å
518P94.3Very high93.4Very high110 Ų11036.6 Ų36.671%0.71420%0.195SC*.G310 helixtrans-64.7-16.5-177.225.5-36.6000114.8C515C515-P518 WeakPolarHBondContact O-CD 3.35Å
519I94.5Very high93.4Very high30 Ų3037.8 Ų37.815%0.15420%0.201CC..G310 helixtrans-120.312.9-174.161.4-176.6000113.2I478 L479 I482 C516 I517 G521 R522 L523I478-I519 HydrophobicContact CG2-CD1 4.41Å; L479-I519 HydrophobicContact CB-CD1 4.44Å; L479-I519 HydrophobicContact CD1-CD1 4.06Å; L479-I519 HydrophobicContact CD1-CG2 4.22Å; I482-I519 HydrophobicContact CD1-CD1 3.48Å; I482-I519 VanDerWaalsContact CD1-CD1 3.48Å; I482-I519 HydrophobicContact CD1-CG1 4.21Å; C516-I519 CarbonylContact O-C 3.59Å; C516-I519 PolarHBondContact O-N 3.33Å; I517-I519 PolarHBondContact O-N 2.92Å; I517-I519 VanDerWaalsContact O-N 3.1Å; I519-G521 VanDerWaalsContact C-N 3.31Å; I519-G521 PolarHBondContact O-N 3.16Å; I519-R522 PolarHBondContact O-N 2.87Å; I519-L523 PolarHBondContact O-N 2.89Å
520T94.4Very high93.6Very high4 Ų436.7 Ų36.73%0.02520%0.197CC..Hα-helixtrans-54.8-41.6-171.2-70.40000113.5C516 I517 R522 L523 L524 I555 T558C516-T520 WeakPolarHBondContact O-CA 3.46Å; C516-T520 PolarHBondContact O-N 2.98Å; C516-T520 PolarHBondContact O-OG1 3.4Å; I517-T520 PolarHBondContact O-N 2.72Å; I517-T520 PolarHBondContact O-OG1 2.94Å; I517-T520 VanDerWaalsContact O-OG1 3.11Å; T520-R522 VanDerWaalsContact C-N 3.33Å; T520-R522 PolarHBondContact O-N 3.31Å; T520-L523 PolarHBondContact O-N 3.11Å; T520-L524 HydrophobicContact CG2-CD1 3.59Å; T520-L524 HydrophobicContact CG2-CG 4.02Å; T520-L524 WeakPolarHBondContact O-CB 3.32Å; T520-L524 WeakPolarHBondContact O-CG 3.21Å; T520-L524 PolarHBondContact O-N 3.38Å; T520-I555 HydrophobicContact CG2-CB 4.31Å; T520-I555 HydrophobicContact CG2-CG1 4.36Å; T520-I555 HydrophobicContact CG2-CG2 3.85Å; T520-T558 HydrophobicContact CG2-CG2 3.71Å
521G93.9Very high93.6Very high31 Ų3136.5 Ų36.532%0.3220%0.195SC..Hα-helixtrans-62.6-37.5179.400000113.5I519 N525I519-G521 VanDerWaalsContact C-N 3.31Å; I519-G521 PolarHBondContact O-N 3.16Å; G521-N525 PolarHBondContact O-N 3.17Å
522R95.3Very high93.3Very high92 Ų9238.7 Ų38.735%0.34721%0.211SC..Hα-helixtrans-70.5-49.1175.2-68.1175.366.6-152.12.9110.7I482 N483 E486 I519 T520 L524 N525 V526I482-R522 HydrophobicContact CG2-CB 4.43Å; N483-R522 PolarHBondContact OD1-NH1 3.04Å; N483-R522 PolarHBondContact OD1-NH2 2.76Å; E486-R522 IonicContact OE1-CZ 2.73Å; E486-R522 VanDerWaalsContact OE1-CZ 3.23Å; E486-R522 IonicContact OE1-NE 2.7Å; E486-R522 PolarHBondContact OE1-NE 2.87Å; E486-R522 IonicContact OE1-NH2 3.84Å; E486-R522 PolarHBondContact OE1-NH2 3.46Å; E486-R522 IonicContact OE2-CZ 3.08Å; E486-R522 IonicContact OE2-NE 3.55Å; E486-R522 IonicContact OE2-NH2 2.64Å; E486-R522 PolarHBondContact OE2-NH2 2.63Å; I519-R522 PolarHBondContact O-N 2.87Å; T520-R522 VanDerWaalsContact C-N 3.33Å; T520-R522 PolarHBondContact O-N 3.31Å; R522-L524 VanDerWaalsContact C-N 3.34Å; R522-L524 PolarHBondContact O-N 2.86Å; R522-N525 PolarHBondContact O-N 3.34Å; R522-V526 WeakPolarHBondContact O-CG2 3.3Å; R522-V526 PolarHBondContact O-N 2.82Å
523L95.8Very high92.8Very high1 Ų141 Ų411%0.00522%0.223CC..Hα-helixtrans-56.7-45.2178.2176.659.5000112.4I482 C516 I519 T520 V526 L527 I549I482-L523 HydrophobicContact CD1-CB 4.11Å; I482-L523 HydrophobicContact CD1-CD1 3.9Å; I482-L523 HydrophobicContact CD1-CG 4.41Å; I482-L523 HydrophobicContact CG1-CD1 3.98Å; C516-L523 HydrophobicContact CB-CD2 3.71Å; I519-L523 PolarHBondContact O-N 2.89Å; T520-L523 PolarHBondContact O-N 3.11Å; L523-V526 PolarHBondContact O-N 3.3Å; L523-L527 HydrophobicContact CD1-CD1 3.77Å; L523-L527 HydrophobicContact CD1-CG 3.98Å; L523-L527 HydrophobicContact CG-CD1 4.04Å; L523-L527 WeakPolarHBondContact O-CB 3.5Å; L523-L527 VanDerWaalsContact O-CG 3.3Å; L523-L527 WeakPolarHBondContact O-CG 3.26Å; L523-L527 PolarHBondContact O-N 3.19Å; L523-I549 HydrophobicContact CD2-CD1 3.66Å; L523-I549 HydrophobicContact CD2-CG2 4.29Å; L523-I549 HydrophobicContact CG-CD1 4.05Å
524L95.2Very high92.1Very high0 Ų046 Ų460%025%0.251CS..Hα-helixtrans-69.3-35.7179.8-71.2177.8000112.9T520 R522 M528 L546 I549 A559 M562 L564T520-L524 HydrophobicContact CG2-CD1 3.59Å; T520-L524 HydrophobicContact CG2-CG 4.02Å; T520-L524 WeakPolarHBondContact O-CB 3.32Å; T520-L524 WeakPolarHBondContact O-CG 3.21Å; T520-L524 PolarHBondContact O-N 3.38Å; R522-L524 VanDerWaalsContact C-N 3.34Å; R522-L524 PolarHBondContact O-N 2.86Å; L524-M528 WeakPolarHBondContact O-CB 3.36Å; L524-M528 VanDerWaalsContact O-CG 3.25Å; L524-M528 WeakPolarHBondContact O-CG 3.29Å; L524-M528 PolarHBondContact O-N 3.17Å; L524-L546 HydrophobicContact CD2-CD2 3.9Å; L524-I549 HydrophobicContact CD2-CD1 3.93Å; L524-A559 HydrophobicContact CD1-CB 3.78Å; L524-M562 HydrophobicContact CB-CE 3.74Å; L524-M562 HydrophobicContact CB-SD 4Å; L524-M562 HydrophobicContact CD1-SD 3.86Å; L524-L564 HydrophobicContact CD2-CD2 4.07Å
525N94.3Very high91.7Very high83 Ų8341.6 Ų41.644%0.44424%0.237SC..Hα-helixtrans-61.8-55.4171.1-76.7-10.1000110.4G521 R522 L527 M528 D529 M562G521-N525 PolarHBondContact O-N 3.17Å; R522-N525 PolarHBondContact O-N 3.34Å; N525-L527 VanDerWaalsContact C-N 3.32Å; N525-L527 PolarHBondContact O-N 2.71Å; N525-M528 CarbonylContact O-C 3.54Å; N525-M528 WeakPolarHBondContact O-CA 3.45Å; N525-M528 PolarHBondContact O-N 3.33Å; N525-D529 VanDerWaalsContact O-CG 3.31Å; N525-D529 PolarHBondContact O-N 3.29Å; N525-M562 WeakPolarHBondContact OD1-CE 2.95Å
526V95.3Very high91.2Very high4 Ų443.6 Ų43.62%0.02424%0.243CC..Hα-helixtrans-52.9-47-179.7170.40000111.9I482 L485 E486 R522 L523 M528 D529 L530I482-V526 HydrophobicContact CG2-CG2 4.42Å; L485-V526 HydrophobicContact CB-CG1 3.58Å; L485-V526 HydrophobicContact CD1-CG1 4.43Å; E486-V526 HydrophobicContact CB-CG2 4.43Å; E486-V526 HydrophobicContact CG-CG2 3.39Å; R522-V526 WeakPolarHBondContact O-CG2 3.3Å; R522-V526 PolarHBondContact O-N 2.82Å; L523-V526 PolarHBondContact O-N 3.3Å; V526-M528 VanDerWaalsContact C-N 3.31Å; V526-M528 PolarHBondContact O-N 3.08Å; V526-D529 PolarHBondContact O-N 3.41Å; V526-L530 HydrophobicContact CG1-CD1 3.76Å; V526-L530 HydrophobicContact CG1-CG 4.37Å; V526-L530 VanDerWaalsContact O-CB 3.32Å; V526-L530 WeakPolarHBondContact O-CB 3.5Å; V526-L530 WeakPolarHBondContact O-CD1 3.29Å; V526-L530 WeakPolarHBondContact O-CG 3.44Å; V526-L530 PolarHBondContact O-N 3.08Å
527L94.5Very high90.8Very high1 Ų145.8 Ų45.81%0.00525%0.254CS..Hα-helixtrans-66.1-30.6178.6-66.9175.8000113L523 N525 L531 I542 A545 L546 I549L523-L527 HydrophobicContact CD1-CD1 3.77Å; L523-L527 HydrophobicContact CD1-CG 3.98Å; L523-L527 HydrophobicContact CG-CD1 4.04Å; L523-L527 WeakPolarHBondContact O-CB 3.5Å; L523-L527 VanDerWaalsContact O-CG 3.3Å; L523-L527 WeakPolarHBondContact O-CG 3.26Å; L523-L527 PolarHBondContact O-N 3.19Å; N525-L527 VanDerWaalsContact C-N 3.32Å; N525-L527 PolarHBondContact O-N 2.71Å; L527-L531 WeakPolarHBondContact O-CG 3.42Å; L527-L531 PolarHBondContact O-N 2.6Å; L527-L531 VanDerWaalsContact O-N 3.15Å; L527-I542 HydrophobicContact CB-CG2 4Å; L527-I542 HydrophobicContact CD2-CG2 4.03Å; L527-A545 HydrophobicContact CD1-CB 4.2Å; L527-A545 HydrophobicContact CD2-CB 4.4Å; L527-L546 HydrophobicContact CB-CD2 4.09Å; L527-L546 HydrophobicContact CB-CG 4.41Å; L527-L546 HydrophobicContact CD1-CD2 3.76Å; L527-L546 HydrophobicContact CD1-CG 4.07Å; L527-I549 HydrophobicContact CD1-CD1 4Å
528M92.4Very high90.7Very high12 Ų1242.6 Ų42.66%0.05924%0.238CC..Hα-helixtrans-80.2-34.3176.2-71.3-57.9-44.700113.4L524 N525 V526 L531 S532 L564 M567 L568 F571L524-M528 WeakPolarHBondContact O-CB 3.36Å; L524-M528 VanDerWaalsContact O-CG 3.25Å; L524-M528 WeakPolarHBondContact O-CG 3.29Å; L524-M528 PolarHBondContact O-N 3.17Å; N525-M528 CarbonylContact O-C 3.54Å; N525-M528 WeakPolarHBondContact O-CA 3.45Å; N525-M528 PolarHBondContact O-N 3.33Å; V526-M528 VanDerWaalsContact C-N 3.31Å; V526-M528 PolarHBondContact O-N 3.08Å; M528-L531 HydrophobicContact CE-CD1 4.21Å; M528-L531 PolarHBondContact O-N 2.91Å; M528-L531 HydrophobicContact SD-CD1 3.9Å; M528-S532 PolarHBondContact O-N 3.27Å; M528-S532 PolarHBondContact O-OG 3.04Å; M528-L564 HydrophobicContact CG-CD1 3.44Å; M528-L564 VanDerWaalsContact CG-CD1 3.44Å; M528-L564 HydrophobicContact SD-CD1 3.46Å; M528-L564 WeakPolarHBondContact SD-CD1 3.47Å; M528-L564 HydrophobicContact SD-CG 4.48Å; M528-M567 HydrophobicContact CE-CB 3.85Å; M528-M567 HydrophobicContact CG-CE 4.28Å; M528-L568 HydrophobicContact CE-CD2 4.26Å; M528-L568 HydrophobicContact SD-CD2 3.76Å; M528-L568 HydrophobicContact SD-CG 4.18Å; M528-F571 HydrophobicContact CE-CD2 4.12Å; M528-F571 HydrophobicContact CE-CE2 3.45Å; M528-F571 VanDerWaalsContact CE-CE2 3.45Å; M528-F571 HydrophobicContact CE-CZ 4.21Å
529D91.9Very high90.5Very high85 Ų8538 Ų3846%0.45521%0.208SC..Hα-helixtrans-68.2-40.3173.8-64.2-33000110M488 N525 V526 S532M488-D529 HydrophobicContact CE-CB 3.83Å; M488-D529 HydrophobicContact SD-CB 4.37Å; N525-D529 VanDerWaalsContact O-CG 3.31Å; N525-D529 PolarHBondContact O-N 3.29Å; V526-D529 PolarHBondContact O-N 3.41Å; D529-S532 WeakPolarHBondContact O-CA 3.39Å; D529-S532 VanDerWaalsContact O-CB 3.26Å; D529-S532 WeakPolarHBondContact O-CB 3.45Å; D529-S532 PolarHBondContact O-N 2.99Å
530L92.4Very high90.3Very high0 Ų037.5 Ų37.50%021%0.206CC..Hα-helixtrans-63.7-38.2172-70.7168.9000112.9L485 M488 L496 V500 V526 S532 I533 I542L485-L530 HydrophobicContact CB-CD1 4.45Å; L485-L530 HydrophobicContact CD1-CD1 4.22Å; L485-L530 HydrophobicContact CD2-CD1 4.32Å; M488-L530 HydrophobicContact CB-CD2 4.2Å; M488-L530 HydrophobicContact SD-CD2 4.28Å; L496-L530 HydrophobicContact CD1-CD2 3.76Å; V500-L530 HydrophobicContact CG2-CD1 3.8Å; V500-L530 HydrophobicContact CG2-CD2 4.45Å; V526-L530 HydrophobicContact CG1-CD1 3.76Å; V526-L530 HydrophobicContact CG1-CG 4.37Å; V526-L530 VanDerWaalsContact O-CB 3.32Å; V526-L530 WeakPolarHBondContact O-CB 3.5Å; V526-L530 WeakPolarHBondContact O-CD1 3.29Å; V526-L530 WeakPolarHBondContact O-CG 3.44Å; V526-L530 PolarHBondContact O-N 3.08Å; L530-S532 PolarHBondContact O-N 2.8Å; L530-I533 HydrophobicContact CD2-CD1 4.07Å; L530-I533 WeakPolarHBondContact O-CB 3.3Å; L530-I533 PolarHBondContact O-N 3.15Å; L530-I533 VanDerWaalsContact O-N 3.13Å; L530-I542 HydrophobicContact CB-CD1 3.67Å; L530-I542 HydrophobicContact CB-CG1 4.42Å
531L89.5Confident90.3Very high5 Ų537.5 Ų37.53%0.02621%0.205CC..Hα-helixtrans-64.1-19.4170.9-79.4172.3000113.1L527 M528 I533 I539 I542 L546 L568 F571 F583L527-L531 WeakPolarHBondContact O-CG 3.42Å; L527-L531 PolarHBondContact O-N 2.6Å; L527-L531 VanDerWaalsContact O-N 3.15Å; M528-L531 HydrophobicContact CE-CD1 4.21Å; M528-L531 PolarHBondContact O-N 2.91Å; M528-L531 HydrophobicContact SD-CD1 3.9Å; L531-I533 VanDerWaalsContact C-N 3.31Å; L531-I539 HydrophobicContact CD2-CG1 4.19Å; L531-I539 HydrophobicContact CD2-CG2 4.25Å; L531-I542 HydrophobicContact CD1-CG2 4.03Å; L531-I542 HydrophobicContact CD2-CB 4.29Å; L531-I542 HydrophobicContact CD2-CD1 4.08Å; L531-I542 HydrophobicContact CD2-CG2 4Å; L531-I542 HydrophobicContact CG-CB 4.45Å; L531-I542 HydrophobicContact CG-CD1 4.16Å; L531-I542 HydrophobicContact CG-CG2 3.69Å; L531-L546 HydrophobicContact CD1-CD1 3.95Å; L531-L568 HydrophobicContact CD1-CD2 3.93Å; L531-F571 HydrophobicContact CB-CE1 4.18Å; L531-F571 HydrophobicContact CB-CZ 4.23Å; L531-F571 WeakPolarHBondContact O-CE1 3.39Å; L531-F583 HydrophobicContact CD1-CE1 4.23Å; L531-F583 HydrophobicContact CD2-CE1 4.06Å; L531-F583 HydrophobicContact CD2-CZ 4.19Å
532S86.6Confident90.3Very high73 Ų7336 Ų3651%0.5119%0.19SC..THydrogen-bonded Turntrans-86.5-1.3176.8-52.30000113.1M528 D529 L530M528-S532 PolarHBondContact O-N 3.27Å; M528-S532 PolarHBondContact O-OG 3.04Å; D529-S532 WeakPolarHBondContact O-CA 3.39Å; D529-S532 VanDerWaalsContact O-CB 3.26Å; D529-S532 WeakPolarHBondContact O-CB 3.45Å; D529-S532 PolarHBondContact O-N 2.99Å; L530-S532 PolarHBondContact O-N 2.8Å
533I82.7Confident90.1Very high50 Ų5031.6 Ų31.626%0.25617%0.174SC..SBendtrans-88.8122.9163.4-52.3177.8000107M488 L496 L530 L531 N535M488-I533 HydrophobicContact CG-CD1 4.39Å; M488-I533 HydrophobicContact SD-CD1 3.97Å; L496-I533 HydrophobicContact CD2-CD1 4.38Å; L530-I533 HydrophobicContact CD2-CD1 4.07Å; L530-I533 WeakPolarHBondContact O-CB 3.3Å; L530-I533 PolarHBondContact O-N 3.15Å; L530-I533 VanDerWaalsContact O-N 3.13Å; L531-I533 VanDerWaalsContact C-N 3.31Å; I533-N535 HydrophobicContact CG2-CB 3.96Å; I533-N535 PolarHBondContact O-N 2.63Å
534D77.4Confident89.9Confident134 Ų13432 Ų3272%0.71718%0.178SC*.  trans-71.936.2176.9-71.3-75.4000113.4K573D534-K573 IonicContact OD1-NZ 3.15Å; D534-K573 PolarHBondContact OD1-NZ 2.97Å
535N83.7Confident89.9Confident35 Ų3532.1 Ų32.119%0.18718%0.179CC..  trans-85.7114.4170.3176.6-31.1000109I533 D537 I538 I539I533-N535 HydrophobicContact CG2-CB 3.96Å; I533-N535 PolarHBondContact O-N 2.63Å; N535-D537 VanDerWaalsContact C-N 3.34Å; N535-D537 PolarHBondContact O-N 3.45Å; N535-D537 PolarHBondContact OD1-N 3.42Å; N535-I538 HydrophobicContact CB-CD1 4.02Å; N535-I538 HydrophobicContact CB-CG1 3.94Å; N535-I538 WeakPolarHBondContact O-CG1 3.37Å; N535-I538 PolarHBondContact OD1-N 2.6Å; N535-I539 WeakPolarHBondContact O-CG1 3.14Å
536I83.7Confident89.9Confident99 Ų9928.1 Ų28.151%0.50816%0.158SC..THydrogen-bonded Turntrans-77.3-20.2-172-58.6174.4000112.5M579I536-M579 HydrophobicContact CG2-CE 4.41Å
537D85.2Confident89.7Confident45 Ų4531 Ų3124%0.24117%0.168CC..THydrogen-bonded Turntrans-85.8-27.5-175.5-72-60.9000113.3N535 P540 Y541 R709N535-D537 VanDerWaalsContact C-N 3.34Å; N535-D537 PolarHBondContact O-N 3.45Å; N535-D537 PolarHBondContact OD1-N 3.42Å; D537-P540 WeakPolarHBondContact O-CD 3.46Å; D537-Y541 WeakPolarHBondContact O-CE2 3.43Å; D537-R709 IonicContact OD1-CZ 3.97Å; D537-R709 IonicContact OD1-NH1 3.24Å; D537-R709 PolarHBondContact OD1-NH1 2.92Å
538I91.3Very high89.6Confident0 Ų031.5 Ų31.50%017%0.172CC..THydrogen-bonded Turntrans-74.5-27.217360.2176.1000114.1E497 N535 Y541 I542E497-I538 HydrophobicContact CB-CG2 4.15Å; E497-I538 HydrophobicContact CG-CG2 3.92Å; N535-I538 HydrophobicContact CB-CD1 4.02Å; N535-I538 HydrophobicContact CB-CG1 3.94Å; N535-I538 WeakPolarHBondContact O-CG1 3.37Å; N535-I538 PolarHBondContact OD1-N 2.6Å; I538-Y541 PolarHBondContact O-N 3.48Å; I538-Y541 VanDerWaalsContact O-N 3.11Å; I538-I542 HydrophobicContact CB-CD1 4.33Å; I538-I542 HydrophobicContact CD1-CD1 4.08Å; I538-I542 HydrophobicContact CG1-CD1 4.01Å; I538-I542 WeakPolarHBondContact O-CG1 3.49Å; I538-I542 PolarHBondContact O-N 3.1Å; I538-I542 VanDerWaalsContact O-N 3.15Å
539I90.6Very high89.6Confident15 Ų1531 Ų318%0.07717%0.169CC..Hα-helixtrans-55.5-44-171.5-67.9172.4000113.9L531 N535 Y541 I542 N543 M579L531-I539 HydrophobicContact CD2-CG1 4.19Å; L531-I539 HydrophobicContact CD2-CG2 4.25Å; N535-I539 WeakPolarHBondContact O-CG1 3.14Å; I539-Y541 VanDerWaalsContact C-N 3.32Å; I539-Y541 PolarHBondContact O-N 3.49Å; I539-I542 PolarHBondContact O-N 2.85Å; I539-N543 WeakPolarHBondContact CG2-ND2 3.21Å; I539-N543 WeakPolarHBondContact O-CB 3.38Å; I539-N543 PolarHBondContact O-N 2.97Å; I539-M579 HydrophobicContact CD1-CE 3.65Å; I539-M579 HydrophobicContact CD1-SD 3.91Å; I539-M579 HydrophobicContact CG2-CE 4.29Å; I539-M579 HydrophobicContact CG2-CG 4.14Å; I539-M579 HydrophobicContact CG2-SD 4.14Å
540P90.5Very high89.7Confident18 Ų1826.9 Ų26.912%0.11715%0.148CC..Hα-helixtrans-60-36.9177.3-23.934.4000113.9D537 G544 P703D537-P540 WeakPolarHBondContact O-CD 3.46Å; P540-G544 PolarHBondContact O-N 3.04Å; P540-P703 HydrophobicContact CB-CB 4.21Å; P540-P703 HydrophobicContact CB-CG 4.35Å
541Y93.5Very high89.5Confident4 Ų427.3 Ų27.32%0.01615%0.151CC..Hα-helixtrans-71.7-41.1177.4-46.4-65.3000110.9E497 A501 M504 D537 I538 I539 N543 G544 A545 P703 T704 P706E497-Y541 HydrophobicContact CG-CD2 4.44Å; E497-Y541 HydrophobicContact CG-CE2 3.77Å; E497-Y541 WeakPolarHBondContact OE1-CE2 3.42Å; E497-Y541 PolarHBondContact OE1-OH 2.79Å; A501-Y541 HydrophobicContact CB-CD1 3.73Å; A501-Y541 HydrophobicContact CB-CD2 4.1Å; A501-Y541 HydrophobicContact CB-CE1 3.88Å; A501-Y541 HydrophobicContact CB-CE2 4.26Å; A501-Y541 HydrophobicContact CB-CG 3.87Å; M504-Y541 WeakPolarHBondContact CB-O 3.36Å; M504-Y541 WeakPolarHBondContact CG-O 3.23Å; D537-Y541 WeakPolarHBondContact O-CE2 3.43Å; I538-Y541 PolarHBondContact O-N 3.48Å; I538-Y541 VanDerWaalsContact O-N 3.11Å; I539-Y541 VanDerWaalsContact C-N 3.32Å; I539-Y541 PolarHBondContact O-N 3.49Å; Y541-N543 VanDerWaalsContact C-N 3.35Å; Y541-N543 PolarHBondContact O-N 3.32Å; Y541-G544 PolarHBondContact O-N 3.1Å; Y541-A545 WeakPolarHBondContact O-CB 3.45Å; Y541-A545 PolarHBondContact O-N 3.04Å; Y541-P703 HydrophobicContact CD1-CB 4.26Å; Y541-P703 HydrophobicContact CD1-CG 3.46Å; Y541-P703 VanDerWaalsContact CD1-CG 3.46Å; Y541-P703 HydrophobicContact CE1-CB 3.89Å; Y541-P703 HydrophobicContact CE1-CG 3.57Å; Y541-T704 PolarHBondContact OH-O 3.44Å; Y541-P706 HydrophobicContact CE2-CG 4.37Å; Y541-P706 VanDerWaalsContact OH-CA 3.3Å; Y541-P706 WeakPolarHBondContact OH-CA 3.27Å; Y541-P706 WeakPolarHBondContact OH-CD 3.35Å
542I93.9Very high89.6Confident0 Ų028.1 Ų28.10%016%0.155CC..Hα-helixtrans-60.5-46.9174.7-58165.8000110.3V500 L527 L530 L531 I538 I539 G544 A545 L546V500-I542 HydrophobicContact CG1-CG1 3.67Å; L527-I542 HydrophobicContact CB-CG2 4Å; L527-I542 HydrophobicContact CD2-CG2 4.03Å; L530-I542 HydrophobicContact CB-CD1 3.67Å; L530-I542 HydrophobicContact CB-CG1 4.42Å; L531-I542 HydrophobicContact CD1-CG2 4.03Å; L531-I542 HydrophobicContact CD2-CB 4.29Å; L531-I542 HydrophobicContact CD2-CD1 4.08Å; L531-I542 HydrophobicContact CD2-CG2 4Å; L531-I542 HydrophobicContact CG-CB 4.45Å; L531-I542 HydrophobicContact CG-CD1 4.16Å; L531-I542 HydrophobicContact CG-CG2 3.69Å; I538-I542 HydrophobicContact CB-CD1 4.33Å; I538-I542 HydrophobicContact CD1-CD1 4.08Å; I538-I542 HydrophobicContact CG1-CD1 4.01Å; I538-I542 WeakPolarHBondContact O-CG1 3.49Å; I538-I542 PolarHBondContact O-N 3.1Å; I538-I542 VanDerWaalsContact O-N 3.15Å; I539-I542 PolarHBondContact O-N 2.85Å; I542-G544 PolarHBondContact O-N 2.83Å; I542-A545 PolarHBondContact O-N 3.43Å; I542-L546 HydrophobicContact CG2-CD1 3.91Å; I542-L546 HydrophobicContact CG2-CG 4.26Å; I542-L546 WeakPolarHBondContact O-CB 3.49Å; I542-L546 WeakPolarHBondContact O-CG 3.34Å; I542-L546 PolarHBondContact O-N 3.34Å
543N92.1Very high89.7Confident0 Ų025.2 Ų25.20%014%0.135CC..Hα-helixtrans-63.3-41.3179.3-77.1-12.3000112.2I539 Y541 Y547 Q582 F583 I586I539-N543 WeakPolarHBondContact CG2-ND2 3.21Å; I539-N543 WeakPolarHBondContact O-CB 3.38Å; I539-N543 PolarHBondContact O-N 2.97Å; Y541-N543 VanDerWaalsContact C-N 3.35Å; Y541-N543 PolarHBondContact O-N 3.32Å; N543-Y547 VanDerWaalsContact O-CB 3.3Å; N543-Y547 WeakPolarHBondContact O-CB 3.3Å; N543-Y547 PolarHBondContact O-N 2.89Å; N543-Q582 HydrophobicContact CB-CB 4.37Å; N543-Q582 WeakPolarHBondContact ND2-CB 3.38Å; N543-Q582 PolarHBondContact ND2-OE1 3.26Å; N543-F583 WeakPolarHBondContact OD1-CE1 3.43Å; N543-I586 HydrophobicContact CB-CD1 3.71Å; N543-I586 WeakPolarHBondContact OD1-CD1 3.34Å
544G91.6Very high90.1Very high10 Ų1027 Ų2710%0.10314%0.142CC..Hα-helixtrans-63-42.9172.700000113.1P540 Y541 I542 S548P540-G544 PolarHBondContact O-N 3.04Å; Y541-G544 PolarHBondContact O-N 3.1Å; I542-G544 PolarHBondContact O-N 2.83Å; G544-S548 WeakPolarHBondContact O-CB 3.45Å; G544-S548 PolarHBondContact O-N 3.47Å
545A94.3Very high90.9Very high1 Ų120.6 Ų20.61%0.00811%0.108CC..Hα-helixtrans-62.3-50.8176.100000111.3M504 L527 Y541 I542 Y547 S548 I549M504-A545 HydrophobicContact CB-CB 4.17Å; M504-A545 HydrophobicContact CG-CB 4.34Å; L527-A545 HydrophobicContact CD1-CB 4.2Å; L527-A545 HydrophobicContact CD2-CB 4.4Å; Y541-A545 WeakPolarHBondContact O-CB 3.45Å; Y541-A545 PolarHBondContact O-N 3.04Å; I542-A545 PolarHBondContact O-N 3.43Å; A545-Y547 PolarHBondContact O-N 2.96Å; A545-S548 PolarHBondContact O-N 3.11Å; A545-I549 WeakPolarHBondContact O-CG1 3.45Å; A545-I549 PolarHBondContact O-N 2.77Å
546L94.2Very high91.3Very high0 Ų019.5 Ų19.50%010%0.101CC..Hα-helixtrans-56.7-49.9176.9-74.4173.6000111.8L524 L527 L531 I542 S548 I549 L550 L568 I586L524-L546 HydrophobicContact CD2-CD2 3.9Å; L527-L546 HydrophobicContact CB-CD2 4.09Å; L527-L546 HydrophobicContact CB-CG 4.41Å; L527-L546 HydrophobicContact CD1-CD2 3.76Å; L527-L546 HydrophobicContact CD1-CG 4.07Å; L531-L546 HydrophobicContact CD1-CD1 3.95Å; I542-L546 HydrophobicContact CG2-CD1 3.91Å; I542-L546 HydrophobicContact CG2-CG 4.26Å; I542-L546 WeakPolarHBondContact O-CB 3.49Å; I542-L546 WeakPolarHBondContact O-CG 3.34Å; I542-L546 PolarHBondContact O-N 3.34Å; L546-S548 VanDerWaalsContact C-N 3.29Å; L546-S548 PolarHBondContact O-N 2.88Å; L546-I549 PolarHBondContact O-N 3.05Å; L546-L550 VanDerWaalsContact O-CB 3.26Å; L546-L550 WeakPolarHBondContact O-CB 3.35Å; L546-L550 WeakPolarHBondContact O-CD1 3.26Å; L546-L550 WeakPolarHBondContact O-CG 3.15Å; L546-L550 PolarHBondContact O-N 3.11Å; L546-L568 HydrophobicContact CD1-CD2 4.18Å; L546-I586 HydrophobicContact CB-CD1 4.23Å; L546-I586 HydrophobicContact CB-CG2 4.21Å; L546-I586 HydrophobicContact CD1-CD1 4.42Å
547Y92.4Very high91.7Very high63 Ų6319.9 Ų19.925%0.24710%0.099CC..Hα-helixtrans-59.9-38.9179.2-176.6-97.2000112.5N543 A545 F585 R589 L700N543-Y547 VanDerWaalsContact O-CB 3.3Å; N543-Y547 WeakPolarHBondContact O-CB 3.3Å; N543-Y547 PolarHBondContact O-N 2.89Å; A545-Y547 PolarHBondContact O-N 2.96Å; Y547-F585 HydrophobicContact CD2-CB 4.42Å; Y547-F585 HydrophobicContact CE2-CB 4.29Å; Y547-R589 HydrophobicContact CD2-CB 3.96Å; Y547-R589 HydrophobicContact CD2-CG 4.12Å; Y547-R589 HydrophobicContact CE2-CB 3.95Å; Y547-R589 HydrophobicContact CE2-CG 4.11Å; Y547-L700 HydrophobicContact CD1-CD1 3.93Å; Y547-L700 HydrophobicContact CD2-CD1 3.7Å; Y547-L700 HydrophobicContact CE1-CD1 4.46Å; Y547-L700 HydrophobicContact CE2-CD1 4.25Å; Y547-L700 HydrophobicContact CG-CD1 3.52Å
548S91.6Very high92.1Very high12 Ų1219.9 Ų19.98%0.08410%0.101CC..Hα-helixtrans-70.3-50.9178.7-169.20000112.9C507 K513 G544 A545 L546 L550 A551C507-S548 WeakPolarHBondContact O-CB 3.34Å; C507-S548 PolarHBondContact O-OG 3.14Å; K513-S548 WeakPolarHBondContact CE-OG 3.42Å; G544-S548 WeakPolarHBondContact O-CB 3.45Å; G544-S548 PolarHBondContact O-N 3.47Å; A545-S548 PolarHBondContact O-N 3.11Å; L546-S548 VanDerWaalsContact C-N 3.29Å; L546-S548 PolarHBondContact O-N 2.88Å; S548-L550 VanDerWaalsContact C-N 3.33Å; S548-L550 PolarHBondContact O-N 3.46Å; S548-A551 WeakPolarHBondContact O-CB 3.4Å; S548-A551 PolarHBondContact O-N 3.19Å; S548-A551 VanDerWaalsContact O-N 3.13Å
549I93Very high92.2Very high1 Ų119.9 Ų19.91%0.00510%0.101CC..Hα-helixtrans-68.4-32.4-17767.8-177.1000112.3C507 L523 L524 L527 A545 L546 A551 L552 I555C507-I549 HydrophobicContact CB-CG2 3.91Å; L523-I549 HydrophobicContact CD2-CD1 3.66Å; L523-I549 HydrophobicContact CD2-CG2 4.29Å; L523-I549 HydrophobicContact CG-CD1 4.05Å; L524-I549 HydrophobicContact CD2-CD1 3.93Å; L527-I549 HydrophobicContact CD1-CD1 4Å; A545-I549 WeakPolarHBondContact O-CG1 3.45Å; A545-I549 PolarHBondContact O-N 2.77Å; L546-I549 PolarHBondContact O-N 3.05Å; I549-A551 PolarHBondContact O-N 2.99Å; I549-A551 VanDerWaalsContact O-N 3.1Å; I549-L552 PolarHBondContact O-N 3.46Å; I549-L552 VanDerWaalsContact O-N 3.13Å; I549-I555 HydrophobicContact CB-CD1 3.99Å; I549-I555 HydrophobicContact CB-CG2 4.23Å; I549-I555 HydrophobicContact CD1-CG2 4.45Å; I549-I555 HydrophobicContact CG1-CG2 4.09Å
550L92.6Very high92.2Very high0 Ų024.5 Ų24.50%012%0.122CC..THydrogen-bonded Turntrans-68.3-3.3175.1-69.9169.7000113.5L546 S548 L552 I555 R556 A559 L564 I586 R589 L590L546-L550 VanDerWaalsContact O-CB 3.26Å; L546-L550 WeakPolarHBondContact O-CB 3.35Å; L546-L550 WeakPolarHBondContact O-CD1 3.26Å; L546-L550 WeakPolarHBondContact O-CG 3.15Å; L546-L550 PolarHBondContact O-N 3.11Å; S548-L550 VanDerWaalsContact C-N 3.33Å; S548-L550 PolarHBondContact O-N 3.46Å; L550-L552 VanDerWaalsContact C-N 3.26Å; L550-L552 PolarHBondContact O-N 2.97Å; L550-I555 HydrophobicContact CD2-CG2 4.35Å; L550-R556 HydrophobicContact CB-CG 4.38Å; L550-R556 HydrophobicContact CD2-CG 4.04Å; L550-R556 WeakPolarHBondContact O-CD 3.13Å; L550-R556 WeakPolarHBondContact O-CG 3.49Å; L550-R556 PolarHBondContact O-NH1 2.98Å; L550-A559 HydrophobicContact CD2-CB 3.88Å; L550-L564 HydrophobicContact CD1-CD2 4.36Å; L550-L564 HydrophobicContact CD2-CD2 4.4Å; L550-I586 HydrophobicContact CD1-CG2 3.75Å; L550-R589 HydrophobicContact CB-CG 4.1Å; L550-L590 HydrophobicContact CD1-CB 4.33Å; L550-L590 HydrophobicContact CD2-CD1 3.82Å
551A89.8Confident92.3Very high8 Ų831.7 Ų31.77%0.06615%0.151CC..THydrogen-bonded Turntrans-62-32165.500000112.4S548 I549 R556 P596S548-A551 WeakPolarHBondContact O-CB 3.4Å; S548-A551 PolarHBondContact O-N 3.19Å; S548-A551 VanDerWaalsContact O-N 3.13Å; I549-A551 PolarHBondContact O-N 2.99Å; I549-A551 VanDerWaalsContact O-N 3.1Å; A551-R556 VanDerWaalsContact C-NH1 3.27Å; A551-R556 PolarHBondContact O-NH1 2.8Å; A551-P596 VanDerWaalsContact O-CD 3.27Å; A551-P596 WeakPolarHBondContact O-CD 3.43Å
552L89.9Confident92.2Very high23 Ų2333.6 Ų33.612%0.1216%0.161CC..SBendtrans-84.7134.1-179.7-65.4-179.7000112.6K513 I517 I549 L550 E554 I555 R556 P596K513-L552 HydrophobicContact CB-CD1 3.72Å; K513-L552 HydrophobicContact CB-CG 4.24Å; K513-L552 WeakPolarHBondContact O-CD1 3.26Å; I517-L552 HydrophobicContact CD1-CD1 4.07Å; I517-L552 HydrophobicContact CG1-CD1 4.05Å; I549-L552 PolarHBondContact O-N 3.46Å; I549-L552 VanDerWaalsContact O-N 3.13Å; L550-L552 VanDerWaalsContact C-N 3.26Å; L550-L552 PolarHBondContact O-N 2.97Å; L552-E554 VanDerWaalsContact C-N 3.28Å; L552-E554 PolarHBondContact O-N 3.15Å; L552-I555 HydrophobicContact CB-CB 4.33Å; L552-I555 HydrophobicContact CB-CD1 4.19Å; L552-I555 HydrophobicContact CB-CG1 4.02Å; L552-I555 HydrophobicContact CD1-CD1 4.11Å; L552-I555 PolarHBondContact O-N 3.2Å; L552-R556 PolarHBondContact O-N 3.43Å; L552-P596 HydrophobicContact CD2-CG 4.04Å
553S90.2Very high92Very high11 Ų1138.7 Ų38.78%0.07719%0.188CC..Hα-helixtrans-67-31-173.884.80000113.1I555 R556 K557 Q595S553-I555 VanDerWaalsContact C-N 3.32Å; S553-R556 PolarHBondContact O-N 3.5Å; S553-K557 WeakPolarHBondContact O-CB 3.46Å; S553-K557 WeakPolarHBondContact O-CD 3.47Å; S553-K557 WeakPolarHBondContact O-CG 3.29Å; S553-K557 PolarHBondContact O-N 3.38Å; S553-K557 PolarHBondContact OG-NZ 2.78Å; S553-Q595 PolarHBondContact OG-NE2 3.11Å
554E91.2Very high92Very high88 Ų8838.7 Ų38.741%0.41119%0.188SC..Hα-helixtrans-68.9-35.5179.7-65.188.5137.400110.6I517 L552 T558I517-E554 HydrophobicContact CG2-CB 4.48Å; L552-E554 VanDerWaalsContact C-N 3.28Å; L552-E554 PolarHBondContact O-N 3.15Å; E554-T558 PolarHBondContact O-N 3.27Å; E554-T558 PolarHBondContact O-OG1 3.15Å
555I93.3Very high91.7Very high0 Ų039.1 Ų39.10%019%0.192CC..Hα-helixtrans-73.7-43.9174-58.9-168.9000109.7C516 I517 T520 I549 L550 L552 S553 T558 A559C516-I555 HydrophobicContact CB-CD1 4.08Å; I517-I555 HydrophobicContact CG1-CD1 4.48Å; I517-I555 HydrophobicContact CG1-CG1 4.45Å; T520-I555 HydrophobicContact CG2-CB 4.31Å; T520-I555 HydrophobicContact CG2-CG1 4.36Å; T520-I555 HydrophobicContact CG2-CG2 3.85Å; I549-I555 HydrophobicContact CB-CD1 3.99Å; I549-I555 HydrophobicContact CB-CG2 4.23Å; I549-I555 HydrophobicContact CD1-CG2 4.45Å; I549-I555 HydrophobicContact CG1-CG2 4.09Å; L550-I555 HydrophobicContact CD2-CG2 4.35Å; L552-I555 HydrophobicContact CB-CB 4.33Å; L552-I555 HydrophobicContact CB-CD1 4.19Å; L552-I555 HydrophobicContact CB-CG1 4.02Å; L552-I555 HydrophobicContact CD1-CD1 4.11Å; L552-I555 PolarHBondContact O-N 3.2Å; S553-I555 VanDerWaalsContact C-N 3.32Å; I555-T558 PolarHBondContact O-N 3.13Å; I555-T558 VanDerWaalsContact O-N 3.1Å; I555-A559 PolarHBondContact O-N 2.85Å
556R93.3Very high91.4Very high11 Ų1145 Ų454%0.04222%0.219CC..Hα-helixtrans-58.5-48.6173.8-63.2-157.2-66-80.610.2113L550 A551 L552 S553 T558 A559 E560 R589 L590 S592 E594L550-R556 HydrophobicContact CB-CG 4.38Å; L550-R556 HydrophobicContact CD2-CG 4.04Å; L550-R556 WeakPolarHBondContact O-CD 3.13Å; L550-R556 WeakPolarHBondContact O-CG 3.49Å; L550-R556 PolarHBondContact O-NH1 2.98Å; A551-R556 VanDerWaalsContact C-NH1 3.27Å; A551-R556 PolarHBondContact O-NH1 2.8Å; L552-R556 PolarHBondContact O-N 3.43Å; S553-R556 PolarHBondContact O-N 3.5Å; R556-T558 PolarHBondContact O-N 2.67Å; R556-A559 WeakPolarHBondContact O-CB 3.46Å; R556-A559 PolarHBondContact O-N 3.34Å; R556-A559 VanDerWaalsContact O-N 3.09Å; R556-E560 WeakPolarHBondContact O-CB 3.22Å; R556-E560 VanDerWaalsContact O-CG 3.31Å; R556-E560 WeakPolarHBondContact O-CG 3.34Å; R556-E560 PolarHBondContact O-N 3.21Å; R556-R589 VanDerWaalsContact CD-O 3.24Å; R556-R589 WeakPolarHBondContact CD-O 3.43Å; R556-L590 WeakPolarHBondContact CD-O 3.38Å; R556-S592 PolarHBondContact NE-O 3.44Å; R556-S592 PolarHBondContact NH2-O 3.44Å; R556-E594 PolarHBondContact NH2-O 3.43Å
557K91.6Very high91.1Very high107 Ų10747.6 Ų47.647%0.46523%0.232SC..Hα-helixtrans-57.2-23175-72.4159.4-174156.10113.9S553 K561S553-K557 WeakPolarHBondContact O-CB 3.46Å; S553-K557 WeakPolarHBondContact O-CD 3.47Å; S553-K557 WeakPolarHBondContact O-CG 3.29Å; S553-K557 PolarHBondContact O-N 3.38Å; S553-K557 PolarHBondContact OG-NZ 2.78Å; K557-K561 WeakPolarHBondContact O-CD 3.31Å; K557-K561 WeakPolarHBondContact O-CE 3.47Å; K557-K561 VanDerWaalsContact O-CG 3.31Å; K557-K561 WeakPolarHBondContact O-CG 3.39Å
558T92.4Very high90.9Very high45 Ų4544.6 Ų44.628%0.27622%0.221SC..Hα-helixtrans-88.2-44.2176-54.30000110.7T520 E554 I555 R556 E560 K561 M562T520-T558 HydrophobicContact CG2-CG2 3.71Å; E554-T558 PolarHBondContact O-N 3.27Å; E554-T558 PolarHBondContact O-OG1 3.15Å; I555-T558 PolarHBondContact O-N 3.13Å; I555-T558 VanDerWaalsContact O-N 3.1Å; R556-T558 PolarHBondContact O-N 2.67Å; T558-E560 VanDerWaalsContact C-N 3.32Å; T558-E560 PolarHBondContact O-N 2.83Å; T558-K561 PolarHBondContact O-N 3.42Å; T558-M562 HydrophobicContact CG2-SD 4.04Å; T558-M562 WeakPolarHBondContact O-CG 3.46Å; T558-M562 PolarHBondContact O-N 2.99Å
559A93.4Very high90.7Very high0 Ų050.1 Ų50.10%024%0.243CC..Hα-helixtrans-57.8-38.9172.600000113.5L524 L550 I555 R556 M562 N563 L564 L590L524-A559 HydrophobicContact CD1-CB 3.78Å; L550-A559 HydrophobicContact CD2-CB 3.88Å; I555-A559 PolarHBondContact O-N 2.85Å; R556-A559 WeakPolarHBondContact O-CB 3.46Å; R556-A559 PolarHBondContact O-N 3.34Å; R556-A559 VanDerWaalsContact O-N 3.09Å; A559-M562 CarbonylContact O-C 3.57Å; A559-M562 PolarHBondContact O-N 3.33Å; A559-N563 PolarHBondContact O-N 3.05Å; A559-L564 HydrophobicContact CB-CB 3.9Å; A559-L564 HydrophobicContact CB-CD2 3.62Å; A559-L564 HydrophobicContact CB-CG 4.38Å; A559-L564 VanDerWaalsContact O-CB 3.28Å; A559-L564 WeakPolarHBondContact O-CB 3.19Å; A559-L564 PolarHBondContact O-N 2.74Å; A559-L590 HydrophobicContact CB-CD1 3.67Å
560E92Very high90.4Very high112 Ų11257 Ų5752%0.52327%0.273SS..Hα-helixtrans-59.5-50173.6-74.9165.6-175.900111.7R556 T558 M562 N563R556-E560 WeakPolarHBondContact O-CB 3.22Å; R556-E560 VanDerWaalsContact O-CG 3.31Å; R556-E560 WeakPolarHBondContact O-CG 3.34Å; R556-E560 PolarHBondContact O-N 3.21Å; T558-E560 VanDerWaalsContact C-N 3.32Å; T558-E560 PolarHBondContact O-N 2.83Å; E560-M562 PolarHBondContact O-N 2.73Å; E560-N563 WeakPolarHBondContact O-CA 3.32Å; E560-N563 PolarHBondContact O-N 2.93Å
561K91.8Very high90Very high169 Ų16959 Ų5974%0.73528%0.282SS*.Hα-helixtrans-61-33.1176.7-68.3169.2-174176.20112.4K557 T558 N563K557-K561 WeakPolarHBondContact O-CD 3.31Å; K557-K561 WeakPolarHBondContact O-CE 3.47Å; K557-K561 VanDerWaalsContact O-CG 3.31Å; K557-K561 WeakPolarHBondContact O-CG 3.39Å; T558-K561 PolarHBondContact O-N 3.42Å; K561-N563 PolarHBondContact O-N 2.91Å; K561-N563 PolarHBondContact O-ND2 3.4Å
562M92Very high89.8Confident45 Ų4561.4 Ų61.422%0.22229%0.293CS..THydrogen-bonded Turntrans-800.3175.3-63.7170.672.500113.1L524 N525 T558 A559 E560 L564 M567L524-M562 HydrophobicContact CB-CE 3.74Å; L524-M562 HydrophobicContact CB-SD 4Å; L524-M562 HydrophobicContact CD1-SD 3.86Å; N525-M562 WeakPolarHBondContact OD1-CE 2.95Å; T558-M562 HydrophobicContact CG2-SD 4.04Å; T558-M562 WeakPolarHBondContact O-CG 3.46Å; T558-M562 PolarHBondContact O-N 2.99Å; A559-M562 CarbonylContact O-C 3.57Å; A559-M562 PolarHBondContact O-N 3.33Å; E560-M562 PolarHBondContact O-N 2.73Å; M562-L564 PolarHBondContact O-N 3.29Å; M562-M567 WeakPolarHBondContact O-CE 3.32Å
563N89.8Confident89.4Confident107 Ų10764 Ų6457%0.57230%0.303SS*.THydrogen-bonded Turntrans5531.7-175.2-66.9-87.7000113.7A559 E560 K561 G565 H566 M567A559-N563 PolarHBondContact O-N 3.05Å; E560-N563 WeakPolarHBondContact O-CA 3.32Å; E560-N563 PolarHBondContact O-N 2.93Å; K561-N563 PolarHBondContact O-N 2.91Å; K561-N563 PolarHBondContact O-ND2 3.4Å; N563-G565 PolarHBondContact O-N 3.06Å; N563-G565 VanDerWaalsContact O-N 3.13Å; N563-H566 PolarHBondContact O-N 3.18Å; N563-M567 PolarHBondContact O-N 3.43Å
564L90.6Very high88.7Confident0 Ų069.9 Ų69.90%034%0.341CS..Hα-helixtrans-51.8-41.6-175.3-168.974.2000112.4L524 M528 L550 A559 M562 H566 M567 L568 L590L524-L564 HydrophobicContact CD2-CD2 4.07Å; M528-L564 HydrophobicContact CG-CD1 3.44Å; M528-L564 VanDerWaalsContact CG-CD1 3.44Å; M528-L564 HydrophobicContact SD-CD1 3.46Å; M528-L564 WeakPolarHBondContact SD-CD1 3.47Å; M528-L564 HydrophobicContact SD-CG 4.48Å; L550-L564 HydrophobicContact CD1-CD2 4.36Å; L550-L564 HydrophobicContact CD2-CD2 4.4Å; A559-L564 HydrophobicContact CB-CB 3.9Å; A559-L564 HydrophobicContact CB-CD2 3.62Å; A559-L564 HydrophobicContact CB-CG 4.38Å; A559-L564 VanDerWaalsContact O-CB 3.28Å; A559-L564 WeakPolarHBondContact O-CB 3.19Å; A559-L564 PolarHBondContact O-N 2.74Å; M562-L564 PolarHBondContact O-N 3.29Å; L564-H566 VanDerWaalsContact C-N 3.25Å; L564-H566 PolarHBondContact O-N 2.92Å; L564-M567 HydrophobicContact CD1-CE 4.15Å; L564-M567 PolarHBondContact O-N 3.01Å; L564-L568 HydrophobicContact CD2-CD1 4.24Å; L564-L568 HydrophobicContact CG-CD1 3.97Å; L564-L568 HydrophobicContact CG-CG 4.29Å; L564-L568 WeakPolarHBondContact O-CG 3.49Å; L564-L568 PolarHBondContact O-N 3.35Å; L564-L590 HydrophobicContact CB-CD2 4.41Å
565G86.6Confident88.2Confident18 Ų1871.6 Ų71.619%0.18635%0.353CS..Hα-helixtrans-67.2-17.5179.300000115.3N563 K569N563-G565 PolarHBondContact O-N 3.06Å; N563-G565 VanDerWaalsContact O-N 3.13Å; G565-K569 WeakPolarHBondContact O-CD 3.38Å; G565-K569 VanDerWaalsContact O-CG 3.29Å; G565-K569 WeakPolarHBondContact O-CG 3.17Å
566H88Confident87.6Confident124 Ų12474.1 Ų74.157%0.57437%0.365SS*.Hα-helixtrans-87.2-34168.5-179.9-117.6000111.5N563 L564N563-H566 PolarHBondContact O-N 3.18Å; L564-H566 VanDerWaalsContact C-N 3.25Å; L564-H566 PolarHBondContact O-N 2.92Å
567M88.3Confident87.1Confident56 Ų5678.4 Ų78.428%0.27639%0.394SS..Hα-helixtrans-68.6-48176.9-58.9-164.1-68.100111.7M528 M562 N563 L564 K569 K570 F571M528-M567 HydrophobicContact CE-CB 3.85Å; M528-M567 HydrophobicContact CG-CE 4.28Å; M562-M567 WeakPolarHBondContact O-CE 3.32Å; N563-M567 PolarHBondContact O-N 3.43Å; L564-M567 HydrophobicContact CD1-CE 4.15Å; L564-M567 PolarHBondContact O-N 3.01Å; M567-K569 VanDerWaalsContact C-N 3.25Å; M567-K569 PolarHBondContact O-N 3.44Å; M567-K570 VanDerWaalsContact O-CB 3.31Å; M567-K570 WeakPolarHBondContact O-CB 3.48Å; M567-K570 PolarHBondContact O-N 3.02Å; M567-F571 VanDerWaalsContact O-CD2 3.31Å; M567-F571 WeakPolarHBondContact O-CD2 3.39Å
568L87.3Confident86.4Confident0 Ų078.7 Ų78.70%040%0.397CS..Hα-helixtrans-56.4-36.8176.4-71.3169.8000112.8M528 L531 L546 L564 K570 F571 F583 I586 L587M528-L568 HydrophobicContact CE-CD2 4.26Å; M528-L568 HydrophobicContact SD-CD2 3.76Å; M528-L568 HydrophobicContact SD-CG 4.18Å; L531-L568 HydrophobicContact CD1-CD2 3.93Å; L546-L568 HydrophobicContact CD1-CD2 4.18Å; L564-L568 HydrophobicContact CD2-CD1 4.24Å; L564-L568 HydrophobicContact CG-CD1 3.97Å; L564-L568 HydrophobicContact CG-CG 4.29Å; L564-L568 WeakPolarHBondContact O-CG 3.49Å; L564-L568 PolarHBondContact O-N 3.35Å; L568-K570 PolarHBondContact O-N 2.81Å; L568-F571 PolarHBondContact O-N 3.29Å; L568-F583 HydrophobicContact CD2-CD1 4.19Å; L568-F583 HydrophobicContact CD2-CE1 4.4Å; L568-I586 HydrophobicContact CD1-CG2 3.6Å; L568-L587 HydrophobicContact CB-CD2 4.21Å; L568-L587 HydrophobicContact CD1-CD2 4.36Å
569K87.6Confident85.7Confident128 Ų12878 Ų7856%0.55739%0.391SS*.THydrogen-bonded Turntrans-62.4-20.3176.2-76.4176.2-176.8179.70114.1G565 M567 F571 I572 L587G565-K569 WeakPolarHBondContact O-CD 3.38Å; G565-K569 VanDerWaalsContact O-CG 3.29Å; G565-K569 WeakPolarHBondContact O-CG 3.17Å; M567-K569 VanDerWaalsContact C-N 3.25Å; M567-K569 PolarHBondContact O-N 3.44Å; K569-F571 VanDerWaalsContact C-N 3.32Å; K569-I572 HydrophobicContact CG-CD1 4.48Å; K569-L587 HydrophobicContact CG-CD1 3.83Å; K569-L587 HydrophobicContact CG-CD2 4.46Å
570K86.8Confident85.3Confident146 Ų14678.8 Ų78.864%0.63540%0.395SS*.THydrogen-bonded Turntrans-74.3-21.7174.8-60.3-179.6178.4-179.20113.3M567 L568M567-K570 VanDerWaalsContact O-CB 3.31Å; M567-K570 WeakPolarHBondContact O-CB 3.48Å; M567-K570 PolarHBondContact O-N 3.02Å; L568-K570 PolarHBondContact O-N 2.81Å
571F84.1Confident85Confident40 Ų4076.6 Ų76.618%0.17538%0.382CS..SBendtrans-88.3-9.8-179.6-64.2-86.4000113.1M528 L531 M567 L568 K569 K573 F583M528-F571 HydrophobicContact CE-CD2 4.12Å; M528-F571 HydrophobicContact CE-CE2 3.45Å; M528-F571 VanDerWaalsContact CE-CE2 3.45Å; M528-F571 HydrophobicContact CE-CZ 4.21Å; L531-F571 HydrophobicContact CB-CE1 4.18Å; L531-F571 HydrophobicContact CB-CZ 4.23Å; L531-F571 WeakPolarHBondContact O-CE1 3.39Å; M567-F571 VanDerWaalsContact O-CD2 3.31Å; M567-F571 WeakPolarHBondContact O-CD2 3.39Å; L568-F571 PolarHBondContact O-N 3.29Å; K569-F571 VanDerWaalsContact C-N 3.32Å; F571-K573 PolarHBondContact O-N 2.87Å; F571-K573 VanDerWaalsContact O-N 3.16Å; F571-F583 HydrophobicContact CB-CD2 4.3Å; F571-F583 HydrophobicContact CB-CE1 4.33Å; F571-F583 HydrophobicContact CB-CE2 3.65Å; F571-F583 HydrophobicContact CB-CZ 3.68Å
572I84.8Confident84.8Confident59 Ų5970.2 Ų70.230%0.30336%0.355SS..  trans-72.8104.9175.6-61.6179.2000108.8K569 N580 F583 L587K569-I572 HydrophobicContact CG-CD1 4.48Å; I572-N580 WeakPolarHBondContact CA-OD1 3.33Å; I572-N580 HydrophobicContact CG2-CB 4.18Å; I572-F583 HydrophobicContact CD1-CB 4.27Å; I572-F583 HydrophobicContact CG1-CB 3.97Å; I572-F583 HydrophobicContact CG1-CD2 4.14Å; I572-F583 HydrophobicContact CG1-CG 4.42Å; I572-L587 HydrophobicContact CD1-CD1 3.99Å
573K82.2Confident84.5Confident78 Ų7868.1 Ų68.134%0.33935%0.345SS..  trans-108.9130.8-177.3-64.6170.1-177.5171.60109.4D534 F571 N575 Q576 N580D534-K573 IonicContact OD1-NZ 3.15Å; D534-K573 PolarHBondContact OD1-NZ 2.97Å; F571-K573 PolarHBondContact O-N 2.87Å; F571-K573 VanDerWaalsContact O-N 3.16Å; K573-N575 WeakPolarHBondContact CB-OD1 3.28Å; K573-N575 PolarHBondContact O-N 3.39Å; K573-Q576 PolarHBondContact O-N 3.48Å; K573-N580 PolarHBondContact N-OD1 3.09Å; K573-N580 VanDerWaalsContact N-OD1 3.08Å; K573-N580 PolarHBondContact O-ND2 2.87Å; K573-N580 PolarHBondContact O-OD1 3.16Å
574P74.7Confident84.4Confident134 Ų13468.5 Ų68.587%0.8734%0.343SS*.THydrogen-bonded Turntrans-65.4-12.2-169.625.9-35.4000115
575N81.2Confident84.3Confident125 Ų12570.6 Ų70.667%0.66835%0.352SS*.THydrogen-bonded Turntrans-93.4-1.9177.260.6-21.6000114.5K573 P577K573-N575 WeakPolarHBondContact CB-OD1 3.28Å; K573-N575 PolarHBondContact O-N 3.39Å; N575-P577 WeakPolarHBondContact O-CD 3.39Å
576Q81.7Confident84.4Confident53 Ų5369.8 Ų69.825%0.24834%0.343CS..  trans-123.865.1-175.3-68.1-177.6-38.200112.6K573 E578 M579 N580K573-Q576 PolarHBondContact O-N 3.48Å; Q576-E578 VanDerWaalsContact C-N 3.34Å; Q576-E578 PolarHBondContact O-N 3.05Å; Q576-M579 HydrophobicContact CB-CB 4.11Å; Q576-M579 PolarHBondContact O-N 2.83Å; Q576-M579 VanDerWaalsContact O-N 3.15Å; Q576-N580 PolarHBondContact O-N 3.13Å; Q576-N580 PolarHBondContact O-ND2 2.84Å; Q576-N580 PolarHBondContact O-OD1 2.91Å
577P81.2Confident84.5Confident100 Ų10064.7 Ų64.765%0.64932%0.321SS*.Hα-helixtrans-59.2-37.6-170.923.5-34.5000114.3N575 N580 R581N575-P577 WeakPolarHBondContact O-CD 3.39Å; P577-N580 PolarHBondContact O-N 3Å; P577-R581 PolarHBondContact O-N 2.87Å
578E76.9Confident84.5Confident114 Ų11468.4 Ų68.453%0.53334%0.337SS..Hα-helixtrans-69.3-38.9178.8-171.856.7-14400112.1Q576 R581 Q582Q576-E578 VanDerWaalsContact C-N 3.34Å; Q576-E578 PolarHBondContact O-N 3.05Å; E578-R581 WeakPolarHBondContact O-CB 3.04Å; E578-R581 PolarHBondContact O-N 2.92Å; E578-Q582 PolarHBondContact O-N 2.99Å
579M78.9Confident84.6Confident30 Ų3071 Ų7115%0.14835%0.347CS..Hα-helixtrans-69.9-39.8176.2-164.3-174.6-69.800111.1I536 I539 Q576 R581 Q582 F583I536-M579 HydrophobicContact CG2-CE 4.41Å; I539-M579 HydrophobicContact CD1-CE 3.65Å; I539-M579 HydrophobicContact CD1-SD 3.91Å; I539-M579 HydrophobicContact CG2-CE 4.29Å; I539-M579 HydrophobicContact CG2-CG 4.14Å; I539-M579 HydrophobicContact CG2-SD 4.14Å; Q576-M579 HydrophobicContact CB-CB 4.11Å; Q576-M579 PolarHBondContact O-N 2.83Å; Q576-M579 VanDerWaalsContact O-N 3.15Å; M579-R581 VanDerWaalsContact C-N 3.29Å; M579-R581 PolarHBondContact O-N 3.24Å; M579-Q582 WeakPolarHBondContact O-CB 3.47Å; M579-Q582 PolarHBondContact O-N 2.87Å; M579-Q582 VanDerWaalsContact O-N 3.12Å; M579-F583 HydrophobicContact CG-CD2 4.3Å; M579-F583 HydrophobicContact CG-CE2 3.66Å; M579-F583 HydrophobicContact CG-CZ 4.16Å; M579-F583 WeakPolarHBondContact O-CD2 3.45Å; M579-F583 PolarHBondContact O-N 2.92Å; M579-F583 VanDerWaalsContact O-N 3.16Å; M579-F583 HydrophobicContact SD-CE2 3.91Å; M579-F583 HydrophobicContact SD-CZ 4.26Å
580N85Confident84.6Confident17 Ų1765.2 Ų65.29%0.09132%0.322CS..Hα-helixtrans-57.2-42.7173.4-63.8-18.2000111.4I572 K573 Q576 P577 Q582 F583 E584I572-N580 WeakPolarHBondContact CA-OD1 3.33Å; I572-N580 HydrophobicContact CG2-CB 4.18Å; K573-N580 PolarHBondContact N-OD1 3.09Å; K573-N580 VanDerWaalsContact N-OD1 3.08Å; K573-N580 PolarHBondContact O-ND2 2.87Å; K573-N580 PolarHBondContact O-OD1 3.16Å; Q576-N580 PolarHBondContact O-N 3.13Å; Q576-N580 PolarHBondContact O-ND2 2.84Å; Q576-N580 PolarHBondContact O-OD1 2.91Å; P577-N580 PolarHBondContact O-N 3Å; N580-Q582 VanDerWaalsContact C-N 3.26Å; N580-Q582 PolarHBondContact O-N 3.25Å; N580-F583 CarbonylContact O-C 3.59Å; N580-F583 PolarHBondContact O-N 3.37Å; N580-F583 VanDerWaalsContact O-N 3.13Å; N580-E584 WeakPolarHBondContact O-CG 2.95Å; N580-E584 PolarHBondContact O-N 3.02Å
581R86.1Confident84.6Confident66 Ų6664.2 Ų64.225%0.24932%0.324CS..Hα-helixtrans-56.7-38.9176.2-168.3-173.5-172.8163.210.6112.4P577 E578 M579 E584 F585 N696 D697P577-R581 PolarHBondContact O-N 2.87Å; E578-R581 WeakPolarHBondContact O-CB 3.04Å; E578-R581 PolarHBondContact O-N 2.92Å; M579-R581 VanDerWaalsContact C-N 3.29Å; M579-R581 PolarHBondContact O-N 3.24Å; R581-E584 PolarHBondContact O-N 3.15Å; R581-F585 HydrophobicContact CG-CD2 4.18Å; R581-F585 HydrophobicContact CG-CE2 3.8Å; R581-F585 WeakPolarHBondContact O-CD2 3.35Å; R581-F585 PolarHBondContact O-N 3.33Å; R581-N696 PolarHBondContact NH1-O 3.3Å; R581-N696 VanDerWaalsContact NH1-O 3.09Å; R581-D697 IonicContact CZ-OD1 3.52Å; R581-D697 IonicContact NH1-OD1 2.68Å; R581-D697 PolarHBondContact NH1-OD1 3.47Å; R581-D697 IonicContact NH2-OD1 2.75Å; R581-D697 PolarHBondContact NH2-OD1 3.24Å
582Q86Confident84.6Confident34 Ų3463.5 Ų63.516%0.15932%0.323CS..Hα-helixtrans-67.3-45176.1-56.7-1733.100111.4N543 E578 M579 N580 E584 F585 I586 L700N543-Q582 HydrophobicContact CB-CB 4.37Å; N543-Q582 WeakPolarHBondContact ND2-CB 3.38Å; N543-Q582 PolarHBondContact ND2-OE1 3.26Å; E578-Q582 PolarHBondContact O-N 2.99Å; M579-Q582 WeakPolarHBondContact O-CB 3.47Å; M579-Q582 PolarHBondContact O-N 2.87Å; M579-Q582 VanDerWaalsContact O-N 3.12Å; N580-Q582 VanDerWaalsContact C-N 3.26Å; N580-Q582 PolarHBondContact O-N 3.25Å; Q582-E584 VanDerWaalsContact C-N 3.32Å; Q582-E584 PolarHBondContact O-N 3.31Å; Q582-F585 PolarHBondContact O-N 3.27Å; Q582-I586 WeakPolarHBondContact O-CD1 3.11Å; Q582-I586 VanDerWaalsContact O-CG1 3.29Å; Q582-I586 WeakPolarHBondContact O-CG1 3.31Å; Q582-I586 PolarHBondContact O-N 3.2Å; Q582-L700 HydrophobicContact CB-CD2 4.21Å; Q582-L700 HydrophobicContact CG-CD2 3.79Å
583F87.6Confident84.1Confident2 Ų266.4 Ų66.41%0.00935%0.349CS..Hα-helixtrans-63.2-36174.2-63.9-49.3000112.7L531 N543 L568 F571 I572 M579 N580 I586 L587L531-F583 HydrophobicContact CD1-CE1 4.23Å; L531-F583 HydrophobicContact CD2-CE1 4.06Å; L531-F583 HydrophobicContact CD2-CZ 4.19Å; N543-F583 WeakPolarHBondContact OD1-CE1 3.43Å; L568-F583 HydrophobicContact CD2-CD1 4.19Å; L568-F583 HydrophobicContact CD2-CE1 4.4Å; F571-F583 HydrophobicContact CB-CD2 4.3Å; F571-F583 HydrophobicContact CB-CE1 4.33Å; F571-F583 HydrophobicContact CB-CE2 3.65Å; F571-F583 HydrophobicContact CB-CZ 3.68Å; I572-F583 HydrophobicContact CD1-CB 4.27Å; I572-F583 HydrophobicContact CG1-CB 3.97Å; I572-F583 HydrophobicContact CG1-CD2 4.14Å; I572-F583 HydrophobicContact CG1-CG 4.42Å; M579-F583 HydrophobicContact CG-CD2 4.3Å; M579-F583 HydrophobicContact CG-CE2 3.66Å; M579-F583 HydrophobicContact CG-CZ 4.16Å; M579-F583 WeakPolarHBondContact O-CD2 3.45Å; M579-F583 PolarHBondContact O-N 2.92Å; M579-F583 VanDerWaalsContact O-N 3.16Å; M579-F583 HydrophobicContact SD-CE2 3.91Å; M579-F583 HydrophobicContact SD-CZ 4.26Å; N580-F583 CarbonylContact O-C 3.59Å; N580-F583 PolarHBondContact O-N 3.37Å; N580-F583 VanDerWaalsContact O-N 3.13Å; F583-I586 HydrophobicContact CD1-CD1 4.44Å; F583-I586 PolarHBondContact O-N 2.7Å; F583-L587 WeakPolarHBondContact O-CB 3.27Å; F583-L587 VanDerWaalsContact O-CG 3.24Å; F583-L587 WeakPolarHBondContact O-CG 3.24Å; F583-L587 PolarHBondContact O-N 2.97Å
584E87.1Confident83.3Confident115 Ų11568.9 Ų68.954%0.53736%0.362SS..Hα-helixtrans-63.3-44.3174.1-75.5172.8-171.600111.8N580 R581 Q582 I586 L587 Q588N580-E584 WeakPolarHBondContact O-CG 2.95Å; N580-E584 PolarHBondContact O-N 3.02Å; R581-E584 PolarHBondContact O-N 3.15Å; Q582-E584 VanDerWaalsContact C-N 3.32Å; Q582-E584 PolarHBondContact O-N 3.31Å; E584-I586 PolarHBondContact O-N 2.84Å; E584-L587 PolarHBondContact O-N 3.31Å; E584-Q588 WeakPolarHBondContact O-CB 3.45Å; E584-Q588 PolarHBondContact O-N 2.92Å
585F87.7Confident82.7Confident44 Ų4468.4 Ų68.419%0.19335%0.348CS..Hα-helixtrans-63.3-39.5173.3-75.5-52.5000112.7Y547 R581 Q582 Q588 R589 P699 L700Y547-F585 HydrophobicContact CD2-CB 4.42Å; Y547-F585 HydrophobicContact CE2-CB 4.29Å; R581-F585 HydrophobicContact CG-CD2 4.18Å; R581-F585 HydrophobicContact CG-CE2 3.8Å; R581-F585 WeakPolarHBondContact O-CD2 3.35Å; R581-F585 PolarHBondContact O-N 3.33Å; Q582-F585 PolarHBondContact O-N 3.27Å; F585-Q588 PolarHBondContact O-N 2.85Å; F585-R589 WeakPolarHBondContact O-CB 3.25Å; F585-R589 PolarHBondContact O-N 3.18Å; F585-P699 HydrophobicContact CE1-CB 4.31Å; F585-P699 HydrophobicContact CE2-CB 4.48Å; F585-P699 HydrophobicContact CZ-CB 4.21Å; F585-L700 HydrophobicContact CB-CD1 4.35Å; F585-L700 HydrophobicContact CD2-CG 4.44Å
586I90.1Very high81.6Confident0 Ų064.7 Ų64.70%033%0.331CS..Hα-helixtrans-65.8-41.7176-66.1163000110.7N543 L546 L550 L568 Q582 F583 E584 R589 L590N543-I586 HydrophobicContact CB-CD1 3.71Å; N543-I586 WeakPolarHBondContact OD1-CD1 3.34Å; L546-I586 HydrophobicContact CB-CD1 4.23Å; L546-I586 HydrophobicContact CB-CG2 4.21Å; L546-I586 HydrophobicContact CD1-CD1 4.42Å; L550-I586 HydrophobicContact CD1-CG2 3.75Å; L568-I586 HydrophobicContact CD1-CG2 3.6Å; Q582-I586 WeakPolarHBondContact O-CD1 3.11Å; Q582-I586 VanDerWaalsContact O-CG1 3.29Å; Q582-I586 WeakPolarHBondContact O-CG1 3.31Å; Q582-I586 PolarHBondContact O-N 3.2Å; F583-I586 HydrophobicContact CD1-CD1 4.44Å; F583-I586 PolarHBondContact O-N 2.7Å; E584-I586 PolarHBondContact O-N 2.84Å; I586-R589 PolarHBondContact O-N 3.41Å; I586-L590 WeakPolarHBondContact O-CB 3.44Å; I586-L590 PolarHBondContact O-N 3.32Å
587L88.8Confident80.4Confident18 Ų1866.5 Ų66.59%0.09435%0.347CS..Hα-helixtrans-65.5-39.9174.3-73.4169.6000111.6L568 K569 I572 F583 E584 R589 L590 N591L568-L587 HydrophobicContact CB-CD2 4.21Å; L568-L587 HydrophobicContact CD1-CD2 4.36Å; K569-L587 HydrophobicContact CG-CD1 3.83Å; K569-L587 HydrophobicContact CG-CD2 4.46Å; I572-L587 HydrophobicContact CD1-CD1 3.99Å; F583-L587 WeakPolarHBondContact O-CB 3.27Å; F583-L587 VanDerWaalsContact O-CG 3.24Å; F583-L587 WeakPolarHBondContact O-CG 3.24Å; F583-L587 PolarHBondContact O-N 2.97Å; E584-L587 PolarHBondContact O-N 3.31Å; L587-R589 VanDerWaalsContact C-N 3.34Å; L587-L590 PolarHBondContact O-N 3.21Å; L587-N591 PolarHBondContact O-N 3.37Å; L587-N591 PolarHBondContact O-ND2 3.37Å
588Q89Confident79.1Confident134 Ų13469.4 Ų69.463%0.62636%0.356SS*.Hα-helixtrans-62.1-42.8173.5-171.9-179.37.400111E584 F585 N591 S592E584-Q588 WeakPolarHBondContact O-CB 3.45Å; E584-Q588 PolarHBondContact O-N 2.92Å; F585-Q588 PolarHBondContact O-N 2.85Å; Q588-N591 PolarHBondContact O-N 3.28Å; Q588-S592 PolarHBondContact O-N 3.11Å; Q588-S592 VanDerWaalsContact O-N 3.14Å
589R88.2Confident77.9Confident54 Ų5469.1 Ų69.120%0.20436%0.362CS..Hα-helixtrans-65.4-42.4177-163.856.2153.7176.3-9.2112Y547 L550 R556 F585 I586 L587 N591 S592 E594Y547-R589 HydrophobicContact CD2-CB 3.96Å; Y547-R589 HydrophobicContact CD2-CG 4.12Å; Y547-R589 HydrophobicContact CE2-CB 3.95Å; Y547-R589 HydrophobicContact CE2-CG 4.11Å; L550-R589 HydrophobicContact CB-CG 4.1Å; R556-R589 VanDerWaalsContact CD-O 3.24Å; R556-R589 WeakPolarHBondContact CD-O 3.43Å; F585-R589 WeakPolarHBondContact O-CB 3.25Å; F585-R589 PolarHBondContact O-N 3.18Å; I586-R589 PolarHBondContact O-N 3.41Å; L587-R589 VanDerWaalsContact C-N 3.34Å; R589-N591 VanDerWaalsContact C-N 3.32Å; R589-N591 PolarHBondContact O-N 2.91Å; R589-S592 WeakPolarHBondContact O-CB 3.38Å; R589-S592 PolarHBondContact O-N 2.92Å; R589-S592 VanDerWaalsContact O-N 3.13Å; R589-S592 PolarHBondContact O-OG 3.26Å; R589-E594 IonicContact NH1-OE2 3.3Å; R589-E594 PolarHBondContact NH1-OE2 3.25Å
590L88.9Confident76.6Confident7 Ų771.1 Ų71.14%0.03737%0.373CS..Hα-helixtrans-60.6-37.6175178.963.2000112.5L550 R556 A559 L564 I586 L587 S592L550-L590 HydrophobicContact CD1-CB 4.33Å; L550-L590 HydrophobicContact CD2-CD1 3.82Å; R556-L590 WeakPolarHBondContact CD-O 3.38Å; A559-L590 HydrophobicContact CB-CD1 3.67Å; L564-L590 HydrophobicContact CB-CD2 4.41Å; I586-L590 WeakPolarHBondContact O-CB 3.44Å; I586-L590 PolarHBondContact O-N 3.32Å; L587-L590 PolarHBondContact O-N 3.21Å; L590-S592 VanDerWaalsContact C-N 3.33Å
591N86.5Confident75.2Confident125 Ų12572.6 Ų72.667%0.66839%0.385SS*.THydrogen-bonded Turntrans-87.33.5177.5-65.7-71.6000113.6L587 Q588 R589L587-N591 PolarHBondContact O-N 3.37Å; L587-N591 PolarHBondContact O-ND2 3.37Å; Q588-N591 PolarHBondContact O-N 3.28Å; R589-N591 VanDerWaalsContact C-N 3.32Å; R589-N591 PolarHBondContact O-N 2.91Å
592S84.2Confident73.8Confident24 Ų2470.6 Ų70.617%0.16838%0.38CS..  trans-81.2136.6-176.270.90000112.6R556 Q588 R589 L590 E594R556-S592 PolarHBondContact NE-O 3.44Å; R556-S592 PolarHBondContact NH2-O 3.44Å; Q588-S592 PolarHBondContact O-N 3.11Å; Q588-S592 VanDerWaalsContact O-N 3.14Å; R589-S592 WeakPolarHBondContact O-CB 3.38Å; R589-S592 PolarHBondContact O-N 2.92Å; R589-S592 VanDerWaalsContact O-N 3.13Å; R589-S592 PolarHBondContact O-OG 3.26Å; L590-S592 VanDerWaalsContact C-N 3.33Å; S592-E594 VanDerWaalsContact C-N 3.35Å
593S73.9Confident72.1Confident121 Ų12174.6 Ų74.685%0.84640%0.402SS*.  trans-84.7-9.2173.9-54.50000113.3Q595S593-Q595 PolarHBondContact O-N 3.12Å
594E66.3Low70.5Confident129 Ų12978.5 Ų78.560%0.60342%0.423SS*.PPolyproline II helixtrans-61.4130.1179.5-65-178145.400111.5R556 R589 S592R556-E594 PolarHBondContact NH2-O 3.43Å; R589-E594 IonicContact NH1-OE2 3.3Å; R589-E594 PolarHBondContact NH1-OE2 3.25Å; S592-E594 VanDerWaalsContact C-N 3.35Å
595Q60.8Low68.7Low124 Ų12479.3 Ų79.358%0.57943%0.43SS*.PPolyproline II helixtrans-91.2146.3157.1-70.1-164.8-27.100108.8S553 S593S553-Q595 PolarHBondContact OG-NE2 3.11Å; S593-Q595 PolarHBondContact O-N 3.12Å
596P59.9Low66.9Low47 Ų4782.7 Ų82.731%0.30545%0.45SS..PPolyproline II helixtrans-62.2156.7170.129.2-35.1000109.6A551 L552 L598A551-P596 VanDerWaalsContact O-CD 3.27Å; A551-P596 WeakPolarHBondContact O-CD 3.43Å; L552-P596 HydrophobicContact CD2-CG 4.04Å; P596-L598 PolarHBondContact O-N 2.96Å
597P56.3Low65Low91 Ų9185.1 Ų85.159%0.59146%0.463SS*.PPolyproline II helixtrans-54.3136.7174.423.6-33.5000110.6V599 D600P597-V599 PolarHBondContact O-N 3.23Å; P597-V599 VanDerWaalsContact O-N 3.12Å; P597-D600 PolarHBondContact O-N 3.38Å
598L53.7Low63.2Low161 Ų16188.9 Ų88.984%0.84348%0.483SS*.THydrogen-bonded Turntrans-59.5-23.5-179-85.8150.3000113.2P596P596-L598 PolarHBondContact O-N 2.96Å
599V50.8Low61.4Low109 Ų10987.9 Ų87.966%0.66148%0.482SS*.THydrogen-bonded Turntrans-122.658.2-176.6-1630000109.8P597 S601P597-V599 PolarHBondContact O-N 3.23Å; P597-V599 VanDerWaalsContact O-N 3.12Å; V599-S601 PolarHBondContact O-N 3.25Å
600D51.8Low59.7Low71 Ų7186.7 Ų86.738%0.3848%0.479SS..  trans-74.997.7159.8-154.844.5000106.6S510 P597 D602S510-D600 WeakPolarHBondContact CB-OD2 3.43Å; S510-D600 PolarHBondContact OG-OD2 2.91Å; P597-D600 PolarHBondContact O-N 3.38Å; D600-D602 PolarHBondContact O-N 3.45Å
601S55.7Low57.9Low49 Ų4989.7 Ų89.734%0.34349%0.493SS..  trans-66.7110.7179.7177.70000108.9V599 D603 D604V599-S601 PolarHBondContact O-N 3.25Å; S601-D603 PolarHBondContact O-N 2.9Å; S601-D603 PolarHBondContact OG-N 3.21Å; S601-D604 VanDerWaalsContact CB-CG 3.48Å; S601-D604 WeakPolarHBondContact CB-OD1 3.47Å; S601-D604 PolarHBondContact OG-N 3.43Å; S601-D604 PolarHBondContact OG-OD1 2.91Å
602D56.7Low56.3Low24 Ų2491.1 Ų91.113%0.12850%0.496CS..THydrogen-bonded Turntrans-70.2-11.3171.2-110.8-2.8000110.6R509 S510 S511 D600R509-D602 IonicContact CZ-OD1 2.83Å; R509-D602 IonicContact CZ-OD2 2.71Å; R509-D602 IonicContact NE-OD1 2.68Å; R509-D602 PolarHBondContact NE-OD1 3.03Å; R509-D602 IonicContact NE-OD2 2.75Å; R509-D602 VanDerWaalsContact NH1-CG 3.32Å; R509-D602 PolarHBondContact NH1-O 3.32Å; R509-D602 IonicContact NH1-OD1 3.15Å; R509-D602 PolarHBondContact NH1-OD1 3.37Å; R509-D602 PolarHBondContact NH2-O 2.9Å; R509-D602 IonicContact NH2-OD1 3.73Å; S510-D602 PolarHBondContact N-OD1 2.92Å; S510-D602 PolarHBondContact N-OD2 3.46Å; S511-D602 WeakPolarHBondContact CB-OD2 3.32Å; S511-D602 PolarHBondContact N-OD2 2.89Å; S511-D602 PolarHBondContact OG-OD2 2.74Å; D600-D602 PolarHBondContact O-N 3.45Å
603D51Low54.9Low118 Ų11892.8 Ų92.863%0.63150%0.503SS*.THydrogen-bonded Turntrans-107.216-172.9-57.4-50.6000113.3S601 I605S601-D603 PolarHBondContact O-N 2.9Å; S601-D603 PolarHBondContact OG-N 3.21Å; D603-I605 WeakPolarHBondContact O-CG1 3.45Å; D603-I605 PolarHBondContact O-N 3.14Å
604D52.2Low53.9Low84 Ų8489 Ų8945%0.44948%0.479SS..  trans-74.791.7167.1-69.4-3.6000109.5R466 S601 D606R466-D604 PolarHBondContact NH1-O 3.39Å; S601-D604 VanDerWaalsContact CB-CG 3.48Å; S601-D604 WeakPolarHBondContact CB-OD1 3.47Å; S601-D604 PolarHBondContact OG-N 3.43Å; S601-D604 PolarHBondContact OG-OD1 2.91Å; D604-D606 VanDerWaalsContact C-N 3.26Å; D604-D606 PolarHBondContact O-N 3.05Å
605I49.5Very low53.7Low132 Ų13285.8 Ų85.868%0.67747%0.471SS*.  trans-8264.2-173.4-56.1149.4000111.1D603 D607D603-I605 WeakPolarHBondContact O-CG1 3.45Å; D603-I605 PolarHBondContact O-N 3.14Å; I605-D607 HydrophobicContact CG2-CB 4.07Å; I605-D607 PolarHBondContact O-N 2.99Å; I605-D607 VanDerWaalsContact O-N 3.08Å
606D50Low54Low114 Ų11484.9 Ų84.961%0.6147%0.469SS*.  trans-75.184.5152.1-85.5-34.1000108.1D604 D608D604-D606 VanDerWaalsContact C-N 3.26Å; D604-D606 PolarHBondContact O-N 3.05Å; D606-D608 PolarHBondContact O-N 3.44Å
607D51Low55Low52 Ų5283.8 Ų83.828%0.27846%0.461SS..G310 helixtrans-74.17.4173-153.544.4000111.7K212 R465 I605 D609K212-D607 IonicContact NZ-OD2 3.05Å; K212-D607 PolarHBondContact NZ-OD2 3.46Å; R465-D607 IonicContact NH2-OD1 3.29Å; R465-D607 PolarHBondContact NH2-OD1 3.29Å; R465-D607 VanDerWaalsContact NH2-OD1 3.14Å; R465-D607 IonicContact NH2-OD2 2.77Å; R465-D607 PolarHBondContact NH2-OD2 2.88Å; I605-D607 HydrophobicContact CG2-CB 4.07Å; I605-D607 PolarHBondContact O-N 2.99Å; I605-D607 VanDerWaalsContact O-N 3.08Å; D607-D609 VanDerWaalsContact C-N 3.32Å
608D50.5Low56.1Low97 Ų9780 Ų8052%0.51944%0.435SS..G310 helixtrans-79.5-8.4177.7-119.713.5000113.2K219 D606 D610K219-D608 IonicContact NZ-OD1 3.33Å; K219-D608 PolarHBondContact NZ-OD1 3.24Å; K219-D608 IonicContact NZ-OD2 2.71Å; K219-D608 PolarHBondContact NZ-OD2 2.95Å; D606-D608 PolarHBondContact O-N 3.44Å; D608-D610 PolarHBondContact O-N 3.45Å
609D51.3Low57Low113 Ų11375.9 Ų75.960%0.60443%0.432SS*.G310 helixtrans-61.7-2.8168.6-92.3-6.3000113.7R466 D607 E611R466-D609 IonicContact CZ-OD2 3.4Å; R466-D609 VanDerWaalsContact CZ-OD2 3.24Å; R466-D609 IonicContact NE-OD2 3.52Å; R466-D609 PolarHBondContact NE-OD2 2.83Å; R466-D609 IonicContact NH2-OD1 3.33Å; R466-D609 IonicContact NH2-OD2 2.72Å; R466-D609 PolarHBondContact NH2-OD2 2.97Å; D607-D609 VanDerWaalsContact C-N 3.32Å; D609-E611 PolarHBondContact O-N 2.85Å
610D53.4Low58.4Low28 Ų2872 Ų7215%0.1541%0.407CS..G310 helixtrans-73.1-4.7176.8-93.1-17.5000114.2R465 D608R465-D610 IonicContact CZ-OD1 3.67Å; R465-D610 IonicContact CZ-OD2 3.25Å; R465-D610 IonicContact NH1-OD1 3.64Å; R465-D610 PolarHBondContact NH1-OD1 3.33Å; R465-D610 IonicContact NH1-OD2 3.67Å; R465-D610 PolarHBondContact NH1-OD2 2.79Å; R465-D610 IonicContact NH2-OD1 2.88Å; R465-D610 IonicContact NH2-OD2 3.87Å; R465-D610 PolarHBondContact NH2-OD2 3.2Å; D608-D610 PolarHBondContact O-N 3.45Å
611E50.7Low59.9Low70 Ų7069 Ų6933%0.32739%0.391SS..THydrogen-bonded Turntrans-74.4144.2-178.2-68.1-167.2-166.200114.1K219 R223 D609K219-E611 WeakPolarHBondContact CD-OE1 3.46Å; K219-E611 IonicContact NZ-OE1 3.21Å; K219-E611 PolarHBondContact NZ-OE1 3.38Å; R223-E611 IonicContact CZ-OE2 3.93Å; R223-E611 VanDerWaalsContact CZ-OE2 3.32Å; R223-E611 IonicContact NH1-OE2 2.67Å; R223-E611 PolarHBondContact NH1-OE2 2.77Å; R223-E611 IonicContact NH2-OE1 2.83Å; R223-E611 PolarHBondContact NH2-OE1 3.46Å; R223-E611 IonicContact NH2-OE2 2.78Å; R223-E611 PolarHBondContact NH2-OE2 2.98Å; D609-E611 PolarHBondContact O-N 2.85Å
612E51.9Low61.2Low155 Ų15568.7 Ų68.772%0.72439%0.386SS*.THydrogen-bonded Turntrans69.918.1175.5-52.4-156.7152.200118.8A614E612-A614 PolarHBondContact O-N 3.26Å
613D55.3Low62.3Low59 Ų5975.4 Ų75.432%0.31641%0.409SS..  trans-64.1104.9166.1-145.869.3000110.3C422 R425 S615C422-D613 HydrophobicContact CB-CB 3.8Å; R425-D613 IonicContact CZ-OD1 3.98Å; R425-D613 IonicContact CZ-OD2 2.69Å; R425-D613 VanDerWaalsContact CZ-OD2 3.26Å; R425-D613 IonicContact NH1-OD1 2.74Å; R425-D613 IonicContact NH1-OD2 3.85Å; R425-D613 PolarHBondContact NH1-OD2 3.41Å; R425-D613 IonicContact NH2-OD1 2.72Å; R425-D613 PolarHBondContact NH2-OD1 3.35Å; R425-D613 IonicContact NH2-OD2 2.69Å; R425-D613 PolarHBondContact NH2-OD2 2.98Å; D613-S615 PolarHBondContact O-N 3.34Å
614A52.8Low63.6Low42 Ų4276 Ų7635%0.34741%0.408SS..  trans-61.8134.6-170.500000112.3E612 I616 Q708E612-A614 PolarHBondContact O-N 3.26Å; A614-I616 PolarHBondContact O-N 2.83Å; A614-Q708 PolarHBondContact O-NE2 3.05Å
615S61.6Low64.9Low61 Ų6173.6 Ų73.643%0.42740%0.396SS..SBendtrans-70.223179.9-34.30000114.7R365 D613R365-S615 PolarHBondContact NH1-O 3.32Å; D613-S615 PolarHBondContact O-N 3.34Å
616I67.6Low66.1Low105 Ų10568.3 Ų68.354%0.53837%0.368SS..  trans-95.7107.2-179.9-62171.5000107.3A614 Q708A614-I616 PolarHBondContact O-N 2.83Å; I616-Q708 PolarHBondContact O-NE2 2.92Å
617L81.3Confident67.2Low25 Ų2566.5 Ų66.513%0.13136%0.363CS..  trans-73.3158.1169-78.1-179000111.1T358 S420 L421 L621T358-L617 HydrophobicContact CG2-CD1 4.25Å; S420-L617 VanDerWaalsContact CB-CD2 3.49Å; L421-L617 HydrophobicContact CD2-CD1 4.49Å; L421-L617 HydrophobicContact CD2-CD2 3.59Å; L421-L617 HydrophobicContact CD2-CG 3.96Å; L421-L617 HydrophobicContact CG-CD2 3.9Å; L617-L621 HydrophobicContact CB-CD1 4.31Å; L617-L621 HydrophobicContact CD2-CD1 3.99Å
618E79.7Confident68.3Low10 Ų1066.8 Ų66.85%0.04737%0.368CS..  trans-88.1129.5-168.9-56.7149.314600109.8S420 K461 Y498 D620 L621 Q708S420-E618 WeakPolarHBondContact CB-OE2 3.45Å; S420-E618 PolarHBondContact OG-OE2 2.72Å; K461-E618 VanDerWaalsContact CE-CD 3.42Å; K461-E618 WeakPolarHBondContact CE-OE1 3.47Å; K461-E618 WeakPolarHBondContact CE-OE2 3.19Å; K461-E618 IonicContact NZ-OE1 3.14Å; K461-E618 PolarHBondContact NZ-OE1 3.47Å; K461-E618 IonicContact NZ-OE2 2.79Å; K461-E618 PolarHBondContact NZ-OE2 2.79Å; Y498-E618 PolarHBondContact OH-OE1 3.06Å; E618-D620 VanDerWaalsContact CB-OD1 3.23Å; E618-D620 WeakPolarHBondContact CB-OD1 3.24Å; E618-D620 PolarHBondContact O-N 2.89Å; E618-L621 HydrophobicContact CB-CD1 4.11Å; E618-L621 HydrophobicContact CB-CG 4.12Å; E618-L621 PolarHBondContact O-N 2.8Å; E618-Q708 HydrophobicContact CG-CG 4.41Å
619G73Confident69.5Low76 Ų7662.3 Ų62.378%0.78434%0.344SS*.THydrogen-bonded Turntrans-70.76.1-171.500000115.5
620D79.3Confident70.5Confident26 Ų2660.9 Ų60.914%0.13934%0.336CS..THydrogen-bonded Turntrans-105.3-17177.951.49000113.8Y494 E618 D622 R623 S707Y494-D620 WeakPolarHBondContact CE2-OD2 3.3Å; E618-D620 VanDerWaalsContact CB-OD1 3.23Å; E618-D620 WeakPolarHBondContact CB-OD1 3.24Å; E618-D620 PolarHBondContact O-N 2.89Å; D620-D622 VanDerWaalsContact C-N 3.27Å; D620-D622 PolarHBondContact O-N 2.67Å; D620-D622 VanDerWaalsContact O-N 3.15Å; D620-R623 HydrophobicContact CB-CG 4.45Å; D620-R623 VanDerWaalsContact O-CB 3.27Å; D620-R623 WeakPolarHBondContact O-CB 3.48Å; D620-R623 WeakPolarHBondContact O-CG 3.24Å; D620-R623 PolarHBondContact O-N 2.82Å; D620-S707 VanDerWaalsContact OD2-CB 3.32Å; D620-S707 WeakPolarHBondContact OD2-CB 3.49Å; D620-S707 PolarHBondContact OD2-OG 3.13Å
621L83Confident71.2Confident8 Ų867 Ų674%0.04236%0.364CS..THydrogen-bonded Turntrans-57.9-30.5-175.1-71.6167.6000115.1R354 T358 A417 L617 E618R354-L621 PolarHBondContact NE-O 3.43Å; R354-L621 PolarHBondContact NH1-O 3.19Å; T358-L621 HydrophobicContact CG2-CB 4.21Å; T358-L621 HydrophobicContact CG2-CD1 4.39Å; A417-L621 HydrophobicContact CB-CD1 4.45Å; A417-L621 HydrophobicContact CB-CD2 4.45Å; L617-L621 HydrophobicContact CB-CD1 4.31Å; L617-L621 HydrophobicContact CD2-CD1 3.99Å; E618-L621 HydrophobicContact CB-CD1 4.11Å; E618-L621 HydrophobicContact CB-CG 4.12Å; E618-L621 PolarHBondContact O-N 2.8Å
622D83.6Confident72Confident44 Ų4468.8 Ų68.824%0.23538%0.376CS..THydrogen-bonded Turntrans-98.110.6178.6-76.3-25.9000113.6R354 W355 T358 K359 D620R354-D622 IonicContact CZ-OD1 3.6Å; R354-D622 IonicContact NE-OD1 3.55Å; R354-D622 PolarHBondContact NE-OD1 2.89Å; R354-D622 IonicContact NH2-OD1 3.53Å; R354-D622 PolarHBondContact NH2-OD1 3.09Å; W355-D622 VanDerWaalsContact CD1-OD1 3.27Å; W355-D622 PolarHBondContact NE1-OD1 3.18Å; T358-D622 VanDerWaalsContact CB-OD2 3.3Å; T358-D622 WeakPolarHBondContact CB-OD2 3.22Å; T358-D622 VanDerWaalsContact OG1-CG 3.25Å; T358-D622 PolarHBondContact OG1-OD1 3.11Å; T358-D622 VanDerWaalsContact OG1-OD1 3.09Å; T358-D622 PolarHBondContact OG1-OD2 3.04Å; K359-D622 WeakPolarHBondContact CE-OD2 3.49Å; D620-D622 VanDerWaalsContact C-N 3.27Å; D620-D622 PolarHBondContact O-N 2.67Å; D620-D622 VanDerWaalsContact O-N 3.15Å
623R80.8Confident72.9Confident165 Ų16562.5 Ų62.562%0.62335%0.347SS*.THydrogen-bonded Turntrans-70.4155.8176.9-70.6176.2-177.3-178.41112R413 D620 D625R413-R623 PolarHBondContact NH2-O 3.34Å; D620-R623 HydrophobicContact CB-CG 4.45Å; D620-R623 VanDerWaalsContact O-CB 3.27Å; D620-R623 WeakPolarHBondContact O-CB 3.48Å; D620-R623 WeakPolarHBondContact O-CG 3.24Å; D620-R623 PolarHBondContact O-N 2.82Å; R623-D625 PolarHBondContact O-N 3.21Å
624Q77.2Confident73.5Confident129 Ų12960.9 Ų60.960%0.60334%0.338SS*.THydrogen-bonded Turntrans53.335.9175.3-53.3177.116.300113.5R413R413-Q624 PolarHBondContact NH1-O 2.9Å; R413-Q624 PolarHBondContact NH2-O 2.68Å
625D79.3Confident74.2Confident35 Ų3562.3 Ų62.319%0.18734%0.34CS..PPolyproline II helixtrans-74.5158.9178.2-104.916.4000113Q351 R354 W355 R413 R623Q351-D625 WeakPolarHBondContact CG-OD2 3.37Å; Q351-D625 VanDerWaalsContact NE2-CG 3.27Å; Q351-D625 PolarHBondContact NE2-OD2 2.95Å; R354-D625 IonicContact CZ-OD1 3.52Å; R354-D625 IonicContact CZ-OD2 3.74Å; R354-D625 IonicContact NH1-OD1 3.69Å; R354-D625 PolarHBondContact NH1-OD1 3.09Å; R354-D625 IonicContact NH2-OD1 2.83Å; R354-D625 PolarHBondContact NH2-OD1 2.82Å; R354-D625 IonicContact NH2-OD2 2.71Å; R354-D625 PolarHBondContact NH2-OD2 3.13Å; W355-D625 VanDerWaalsContact CE2-OD2 3.28Å; W355-D625 WeakPolarHBondContact CZ2-OD2 3.49Å; W355-D625 PolarHBondContact NE1-OD2 3.08Å; R413-D625 IonicContact CZ-OD1 2.89Å; R413-D625 IonicContact NH1-OD1 3.25Å; R413-D625 PolarHBondContact NH1-OD1 3.48Å; R623-D625 PolarHBondContact O-N 3.21Å
626L75.6Confident74.7Confident20 Ų2066 Ų6611%0.10535%0.354CS..PPolyproline II helixtrans-61.3136.5170.7-80.2172.1000109C347 Y348 Q351 Y410C347-L626 HydrophobicContact CB-CD1 3.71Å; Y348-L626 HydrophobicContact CE1-CB 4.14Å; Y348-L626 HydrophobicContact CE1-CD1 4.49Å; Q351-L626 PolarHBondContact NE2-O 2.74Å; Y410-L626 HydrophobicContact CE2-CD1 3.74Å; Y410-L626 HydrophobicContact CE2-CG 3.91Å; Y410-L626 WeakPolarHBondContact OH-CG 3.22Å; Y410-L626 PolarHBondContact OH-N 3.07Å
627P72.6Confident74.7Confident76 Ų7661.4 Ų61.449%0.49433%0.331SS..PPolyproline II helixtrans-63.4160.4169.430.2-35.3000110Y348Y348-P627 WeakPolarHBondContact CE1-O 3.22Å; Y348-P627 PolarHBondContact OH-O 3.21Å
628P74.2Confident74.1Confident59 Ų5962.8 Ų62.838%0.38334%0.34SS..PPolyproline II helixtrans-50.8142.1165.9-22.833.5000110.4D630 P647 V651P628-D630 PolarHBondContact O-N 2.82Å; P628-P647 HydrophobicContact CB-CB 4.12Å; P628-V651 HydrophobicContact CB-CG2 3.93Å; P628-V651 HydrophobicContact CG-CG2 4.32Å
629P75.4Confident73.2Confident2 Ų265.4 Ų65.41%0.01337%0.37CS..PPolyproline II helixtrans-57.5128.1-177.723.1-32.5000110Y348 D633 L634 L637 P647 W650Y348-P629 HydrophobicContact CE2-CB 4.27Å; P629-D633 HydrophobicContact CB-CB 3.63Å; P629-L634 HydrophobicContact CB-CD2 4.09Å; P629-L634 HydrophobicContact CB-CG 4.12Å; P629-L634 HydrophobicContact CG-CD2 3.7Å; P629-L634 HydrophobicContact CG-CG 4.16Å; P629-L637 HydrophobicContact CB-CD1 3.72Å; P629-L637 HydrophobicContact CG-CD1 4.23Å; P629-P647 WeakPolarHBondContact O-CB 3.43Å; P629-W650 HydrophobicContact CG-CB 3.6Å; P629-W650 HydrophobicContact CG-CG 4.34Å
630D72.2Confident72.5Confident84 Ų8465.2 Ų65.245%0.44936%0.357SS..  trans-69.7175.8174.279.131.4000111.3P628 N632 D633 L634P628-D630 PolarHBondContact O-N 2.82Å; D630-N632 PolarHBondContact O-N 3Å; D630-N632 WeakPolarHBondContact OD1-CA 2.85Å; D630-N632 VanDerWaalsContact OD1-CB 3.31Å; D630-N632 WeakPolarHBondContact OD1-CB 3.44Å; D630-N632 PolarHBondContact OD1-N 3.42Å; D630-D633 WeakPolarHBondContact O-CB 3.34Å; D630-D633 PolarHBondContact O-N 3.19Å; D630-D633 PolarHBondContact OD1-N 2.85Å; D630-L634 WeakPolarHBondContact O-CB 3.26Å; D630-L634 WeakPolarHBondContact O-CG 3.47Å; D630-L634 PolarHBondContact O-N 3.15Å
631Q67.2Low71.2Confident155 Ų15572.6 Ų72.672%0.72439%0.39SS*.Hα-helixtrans-67.4-19.9-173.8-155.3162.27.400113.7L635Q631-L635 WeakPolarHBondContact O-CD1 3.48Å; Q631-L635 VanDerWaalsContact O-CG 3.29Å; Q631-L635 WeakPolarHBondContact O-CG 3.37Å; Q631-L635 PolarHBondContact O-N 3.26Å
632N69.2Low69.2Low109 Ų10979.5 Ų79.558%0.58343%0.427SS*.Hα-helixtrans-84.4-42.3171.7-55.5-56.8000111.3D630 L634 L635 L636D630-N632 PolarHBondContact O-N 3Å; D630-N632 WeakPolarHBondContact OD1-CA 2.85Å; D630-N632 VanDerWaalsContact OD1-CB 3.31Å; D630-N632 WeakPolarHBondContact OD1-CB 3.44Å; D630-N632 PolarHBondContact OD1-N 3.42Å; N632-L634 VanDerWaalsContact C-N 3.3Å; N632-L634 PolarHBondContact O-N 3.11Å; N632-L635 WeakPolarHBondContact O-CB 3.35Å; N632-L635 PolarHBondContact O-N 3.18Å; N632-L636 WeakPolarHBondContact O-CG 3.16Å; N632-L636 PolarHBondContact O-N 3.19Å
633D69.4Low67.6Low23 Ų2382.7 Ų82.712%0.12344%0.443CS..Hα-helixtrans-54.9-46.8169.9-106.9-38.5000110.3R344 P629 D630 L635 L636 L637R344-D633 IonicContact CZ-OD1 3.35Å; R344-D633 IonicContact CZ-OD2 3.77Å; R344-D633 IonicContact NE-OD1 2.98Å; R344-D633 PolarHBondContact NE-OD1 3.35Å; R344-D633 IonicContact NE-OD2 2.74Å; R344-D633 IonicContact NH2-OD1 2.69Å; R344-D633 PolarHBondContact NH2-OD1 3.21Å; R344-D633 IonicContact NH2-OD2 3.74Å; R344-D633 PolarHBondContact NH2-OD2 2.85Å; P629-D633 HydrophobicContact CB-CB 3.63Å; D630-D633 WeakPolarHBondContact O-CB 3.34Å; D630-D633 PolarHBondContact O-N 3.19Å; D630-D633 PolarHBondContact OD1-N 2.85Å; D633-L635 VanDerWaalsContact C-N 3.34Å; D633-L635 PolarHBondContact O-N 3.18Å; D633-L636 CarbonylContact O-C 3.55Å; D633-L636 PolarHBondContact O-N 3.04Å; D633-L636 VanDerWaalsContact O-N 3.14Å; D633-L637 HydrophobicContact CB-CD1 4.4Å; D633-L637 VanDerWaalsContact O-CB 3.3Å; D633-L637 WeakPolarHBondContact O-CB 3.18Å; D633-L637 WeakPolarHBondContact O-CD1 3.39Å; D633-L637 WeakPolarHBondContact O-CG 3.5Å; D633-L637 PolarHBondContact O-N 3.33Å
634L68.9Low66.2Low24 Ų2484.3 Ų84.313%0.12646%0.458CS..Hα-helixtrans-59.1-41.4176.5-76176.4000112.4P629 D630 N632 L637 T638 P647 W650P629-L634 HydrophobicContact CB-CD2 4.09Å; P629-L634 HydrophobicContact CB-CG 4.12Å; P629-L634 HydrophobicContact CG-CD2 3.7Å; P629-L634 HydrophobicContact CG-CG 4.16Å; D630-L634 WeakPolarHBondContact O-CB 3.26Å; D630-L634 WeakPolarHBondContact O-CG 3.47Å; D630-L634 PolarHBondContact O-N 3.15Å; N632-L634 VanDerWaalsContact C-N 3.3Å; N632-L634 PolarHBondContact O-N 3.11Å; L634-L637 PolarHBondContact O-N 2.97Å; L634-T638 WeakPolarHBondContact O-CB 3.29Å; L634-T638 WeakPolarHBondContact O-CG2 3.17Å; L634-T638 PolarHBondContact O-N 3.35Å; L634-T638 PolarHBondContact O-OG1 3.2Å; L634-P647 HydrophobicContact CD1-CB 4.22Å; L634-W650 HydrophobicContact CD2-CB 4.33Å; L634-W650 HydrophobicContact CD2-CD2 4.29Å; L634-W650 HydrophobicContact CD2-CG 3.71Å
635L67.8Low65.1Low72 Ų7280.2 Ų80.238%0.37744%0.438SS..Hα-helixtrans-63.4-42174.3-76.2166.6000111.7Q631 N632 D633 G639 Q641Q631-L635 WeakPolarHBondContact O-CD1 3.48Å; Q631-L635 VanDerWaalsContact O-CG 3.29Å; Q631-L635 WeakPolarHBondContact O-CG 3.37Å; Q631-L635 PolarHBondContact O-N 3.26Å; N632-L635 WeakPolarHBondContact O-CB 3.35Å; N632-L635 PolarHBondContact O-N 3.18Å; D633-L635 VanDerWaalsContact C-N 3.34Å; D633-L635 PolarHBondContact O-N 3.18Å; L635-G639 WeakPolarHBondContact O-CA 3.42Å; L635-G639 PolarHBondContact O-N 3.38Å; L635-Q641 HydrophobicContact CD2-CB 4.38Å; L635-Q641 HydrophobicContact CD2-CG 3.97Å
636L70.5Confident64.4Low140 Ų14082.1 Ų82.173%0.73345%0.449SS*.Hα-helixtrans-69.1-30.4176.2-68.8168.9000113.1N632 D633N632-L636 WeakPolarHBondContact O-CG 3.16Å; N632-L636 PolarHBondContact O-N 3.19Å; D633-L636 CarbonylContact O-C 3.55Å; D633-L636 PolarHBondContact O-N 3.04Å; D633-L636 VanDerWaalsContact O-N 3.14Å
637L68.9Low63.8Low8 Ų883.5 Ų83.54%0.04246%0.459CS..Hα-helixtrans-81.7-34.3179.6-70.7165.6000112.6R344 K345 Y348 P629 D633 L634R344-L637 HydrophobicContact CB-CD2 4.08Å; R344-L637 HydrophobicContact CG-CD2 3.94Å; K345-L637 HydrophobicContact CD-CD2 4.39Å; K345-L637 WeakPolarHBondContact CE-O 3.39Å; K345-L637 HydrophobicContact CG-CD2 3.46Å; K345-L637 VanDerWaalsContact CG-CD2 3.46Å; K345-L637 PolarHBondContact NZ-O 3.32Å; Y348-L637 HydrophobicContact CD2-CD1 4.44Å; Y348-L637 HydrophobicContact CE2-CD1 4.18Å; P629-L637 HydrophobicContact CB-CD1 3.72Å; P629-L637 HydrophobicContact CG-CD1 4.23Å; D633-L637 HydrophobicContact CB-CD1 4.4Å; D633-L637 VanDerWaalsContact O-CB 3.3Å; D633-L637 WeakPolarHBondContact O-CB 3.18Å; D633-L637 WeakPolarHBondContact O-CD1 3.39Å; D633-L637 WeakPolarHBondContact O-CG 3.5Å; D633-L637 PolarHBondContact O-N 3.33Å; L634-L637 PolarHBondContact O-N 2.97Å
638T69.1Low63.4Low53 Ų5383.9 Ų83.933%0.32546%0.457SS..Hα-helixtrans-103.2-24-174.262.20000114.3L634 S640 W650L634-T638 WeakPolarHBondContact O-CB 3.29Å; L634-T638 WeakPolarHBondContact O-CG2 3.17Å; L634-T638 PolarHBondContact O-N 3.35Å; L634-T638 PolarHBondContact O-OG1 3.2Å; T638-S640 PolarHBondContact O-N 3.08Å; T638-W650 HydrophobicContact CG2-CH2 4.03Å; T638-W650 HydrophobicContact CG2-CZ2 3.55Å
639G60.4Low63.4Low66 Ų6683.3 Ų83.368%0.6845%0.45SS*.  trans67.215.8179.700000114.8L635L635-G639 WeakPolarHBondContact O-CA 3.42Å; L635-G639 PolarHBondContact O-N 3.38Å
640S58.5Low63.2Low72 Ų7284.3 Ų84.350%0.50345%0.453SS..  trans-143.6134.4-178-80.60000112.2T638 N642T638-S640 PolarHBondContact O-N 3.08Å; S640-N642 PolarHBondContact O-N 3.33Å
641Q51Low63.5Low180 Ų18080.5 Ų80.584%0.84143%0.433SS*.SBendtrans-76.1-5.3-177.4-66-177.2-9.600114.5L635L635-Q641 HydrophobicContact CD2-CB 4.38Å; L635-Q641 HydrophobicContact CD2-CG 3.97Å
642N42.2Very low64.3Low154 Ų15473.1 Ų73.182%0.82440%0.399SS*.  trans-108.716.7-156.5-88.66.3000116.5S640S640-N642 PolarHBondContact O-N 3.33Å
643I49.6Very low65.1Low111 Ų11169.6 Ų69.657%0.56938%0.379SS*.  trans-131.8115.6175.3-35.6176.9000112.2H645I643-H645 WeakPolarHBondContact CG2-CD2 3.11Å; I643-H645 WeakPolarHBondContact CG2-NE2 2.99Å; I643-H645 PolarHBondContact O-N 3.37Å
644Q50.3Low65.7Low198 Ų19869.7 Ų69.793%0.92539%0.385SS*.  trans-74.469.6162.8-69-174.9-58.500110
645H55.6Low66.7Low43 Ų4368.9 Ų68.920%0.19938%0.381CS..  trans-71131160.7-75.6-71000108.7I643 I649 W650 H658I643-H645 WeakPolarHBondContact CG2-CD2 3.11Å; I643-H645 WeakPolarHBondContact CG2-NE2 2.99Å; I643-H645 PolarHBondContact O-N 3.37Å; H645-I649 HydrophobicContact CB-CD1 4.26Å; H645-W650 AromaticContact CG-NE1 3.91Å; H645-H658 AromaticContact CE1-NE2 3.4Å; H645-H658 PolarHBondContact CE1-NE2 2.94Å
646D64.6Low67.8Low75 Ų7565.5 Ų65.540%0.40136%0.363SS..  trans-53.9126.7163.1169.33.8000108.4N648 I649D646-N648 PolarHBondContact O-N 2.9Å; D646-N648 WeakPolarHBondContact OD1-CB 3.3Å; D646-N648 PolarHBondContact OD1-N 2.87Å; D646-N648 PolarHBondContact OD1-ND2 3.45Å; D646-I649 HydrophobicContact CB-CD1 4.01Å; D646-I649 HydrophobicContact CB-CG1 4.08Å; D646-I649 VanDerWaalsContact O-CB 3.25Å; D646-I649 WeakPolarHBondContact O-CB 3.48Å; D646-I649 WeakPolarHBondContact O-CG1 3.41Å; D646-I649 PolarHBondContact O-N 2.83Å
647P61.5Low68.6Low49 Ų4965.8 Ų65.832%0.31836%0.358SS..G310 helixtrans-57.4-22.2-179.723.1-34.7000113.3P628 P629 L634 I649 W650P628-P647 HydrophobicContact CB-CB 4.12Å; P629-P647 WeakPolarHBondContact O-CB 3.43Å; L634-P647 HydrophobicContact CD1-CB 4.22Å; P647-I649 PolarHBondContact O-N 2.96Å; P647-W650 PolarHBondContact O-N 3.49Å; P647-W650 VanDerWaalsContact O-N 3.13Å
648N65.8Low69.4Low85 Ų8569.9 Ų69.946%0.45538%0.377SS..G310 helixtrans-69.2-19.3173.7-60-76.1000113.4D646 W650 V651D646-N648 PolarHBondContact O-N 2.9Å; D646-N648 WeakPolarHBondContact OD1-CB 3.3Å; D646-N648 PolarHBondContact OD1-N 2.87Å; D646-N648 PolarHBondContact OD1-ND2 3.45Å; N648-W650 PolarHBondContact O-N 2.9Å; N648-V651 PolarHBondContact O-N 2.71Å
649I74.1Confident70.3Confident47 Ų4769.3 Ų69.324%0.24137%0.372CS..G310 helixtrans-64.1-24.1170.7-61.8171000110.7H645 D646 P647 G654 L655 H658H645-I649 HydrophobicContact CB-CD1 4.26Å; D646-I649 HydrophobicContact CB-CD1 4.01Å; D646-I649 HydrophobicContact CB-CG1 4.08Å; D646-I649 VanDerWaalsContact O-CB 3.25Å; D646-I649 WeakPolarHBondContact O-CB 3.48Å; D646-I649 WeakPolarHBondContact O-CG1 3.41Å; D646-I649 PolarHBondContact O-N 2.83Å; P647-I649 PolarHBondContact O-N 2.96Å; I649-G654 CarbonylContact O-C 2.99Å; I649-L655 WeakPolarHBondContact O-CA 3.44Å; I649-L655 PolarHBondContact O-N 3Å; I649-H658 HydrophobicContact CG2-CB 3.97Å
650W69.8Low71.8Confident22 Ų2266.7 Ų66.78%0.08334%0.342CS..G310 helixtrans-94.89.5-178.3-68.387.5000114P629 L634 T638 H645 P647 N648 L655P629-W650 HydrophobicContact CG-CB 3.6Å; P629-W650 HydrophobicContact CG-CG 4.34Å; L634-W650 HydrophobicContact CD2-CB 4.33Å; L634-W650 HydrophobicContact CD2-CD2 4.29Å; L634-W650 HydrophobicContact CD2-CG 3.71Å; T638-W650 HydrophobicContact CG2-CH2 4.03Å; T638-W650 HydrophobicContact CG2-CZ2 3.55Å; H645-W650 AromaticContact CG-NE1 3.91Å; P647-W650 PolarHBondContact O-N 3.49Å; P647-W650 VanDerWaalsContact O-N 3.13Å; N648-W650 PolarHBondContact O-N 2.9Å; W650-L655 HydrophobicContact CE3-CD1 3.89Å; W650-L655 HydrophobicContact CZ3-CD1 4.23Å
651V78.8Confident73.3Confident4 Ų465 Ų652%0.02433%0.333CS..SBendtrans-132136.4-179.1-165.50000111.3Y348 W355 P628 N648 G654Y348-V651 HydrophobicContact CD1-CG2 4.46Å; Y348-V651 HydrophobicContact CE1-CG2 4.44Å; W355-V651 HydrophobicContact CE3-CG1 4.15Å; W355-V651 HydrophobicContact CH2-CG1 3.59Å; W355-V651 HydrophobicContact CZ2-CG1 4.25Å; W355-V651 HydrophobicContact CZ3-CG1 3.54Å; P628-V651 HydrophobicContact CB-CG2 3.93Å; P628-V651 HydrophobicContact CG-CG2 4.32Å; N648-V651 PolarHBondContact O-N 2.71Å; V651-G654 PolarHBondContact O-N 3.35Å
652G84.5Confident74.8Confident0 Ų060.5 Ų60.50%031%0.312CS..THydrogen-bonded Turntrans62.2-136.9170.800000114.4A352 G654 L655 L656A352-G652 WeakPolarHBondContact CB-O 3.44Å; G652-G654 PolarHBondContact O-N 3.1Å; G652-L655 PolarHBondContact O-N 3.08Å; G652-L655 VanDerWaalsContact O-N 3.08Å; G652-L656 PolarHBondContact O-N 3.2Å; G652-L656 VanDerWaalsContact O-N 3.1Å
653E85.5Confident75.8Confident36 Ų3661.8 Ų61.817%0.16831%0.313CS..Hα-helixtrans-60.9-23.8179.7-72.7-65.5154.600113.4W318 F327 R356 K657W318-E653 HydrophobicContact CE3-CB 4.48Å; W318-E653 HydrophobicContact CE3-CG 4.44Å; W318-E653 HydrophobicContact CH2-CB 4.48Å; W318-E653 HydrophobicContact CZ3-CB 3.78Å; W318-E653 HydrophobicContact CZ3-CG 3.88Å; F327-E653 VanDerWaalsContact CE1-OE2 3.26Å; F327-E653 WeakPolarHBondContact CE1-OE2 3.34Å; F327-E653 VanDerWaalsContact CZ-OE2 3.22Å; F327-E653 WeakPolarHBondContact CZ-OE2 3.34Å; R356-E653 WeakPolarHBondContact CB-OE1 3.15Å; R356-E653 WeakPolarHBondContact CG-OE1 3.49Å; R356-E653 IonicContact CZ-OE1 3.39Å; R356-E653 IonicContact CZ-OE2 3.68Å; R356-E653 IonicContact NE-OE1 2.72Å; R356-E653 PolarHBondContact NE-OE1 2.95Å; R356-E653 IonicContact NE-OE2 3.15Å; R356-E653 PolarHBondContact NE-OE2 3.28Å; R356-E653 IonicContact NH2-OE1 2.89Å; R356-E653 IonicContact NH2-OE2 3.83Å; R356-E653 PolarHBondContact NH2-OE2 2.6Å; E653-K657 WeakPolarHBondContact O-CB 3.43Å; E653-K657 PolarHBondContact O-N 3.15Å
654G83.1Confident75.8Confident24 Ų2461.9 Ų61.925%0.24732%0.319CS..Hα-helixtrans-60.1-50.8170.900000111.4I649 V651 G652 K657 H658I649-G654 CarbonylContact O-C 2.99Å; V651-G654 PolarHBondContact O-N 3.35Å; G652-G654 PolarHBondContact O-N 3.1Å; G654-K657 PolarHBondContact O-N 2.96Å; G654-H658 WeakPolarHBondContact O-CB 3.47Å; G654-H658 PolarHBondContact O-N 2.97Å
655L88.6Confident75.1Confident8 Ų858 Ų584%0.04231%0.309CS..Hα-helixtrans-67.6-44.1-177.6-179.364.4000111L349 A352 I649 W650 G652 K657 H658 D659 Y660L349-L655 HydrophobicContact CB-CD2 4.49Å; A352-L655 HydrophobicContact CB-CB 4.47Å; A352-L655 HydrophobicContact CB-CD2 4.22Å; I649-L655 WeakPolarHBondContact O-CA 3.44Å; I649-L655 PolarHBondContact O-N 3Å; W650-L655 HydrophobicContact CE3-CD1 3.89Å; W650-L655 HydrophobicContact CZ3-CD1 4.23Å; G652-L655 PolarHBondContact O-N 3.08Å; G652-L655 VanDerWaalsContact O-N 3.08Å; L655-K657 VanDerWaalsContact C-N 3.27Å; L655-K657 PolarHBondContact O-N 3.37Å; L655-H658 PolarHBondContact O-N 3.49Å; L655-D659 PolarHBondContact O-N 3.45Å; L655-Y660 HydrophobicContact CG-CE2 4.48Å
656L91.4Very high73.9Confident0 Ų063.9 Ų63.90%034%0.339CS..Hα-helixtrans-60.6-38.6175.7-64.7-178.7000111.6F327 L329 L349 A352 L353 R356 G652 Y660 A661F327-L656 HydrophobicContact CE2-CB 4.07Å; F327-L656 WeakPolarHBondContact CE2-O 3.44Å; F327-L656 HydrophobicContact CZ-CB 3.94Å; L329-L656 HydrophobicContact CD1-CD1 4.44Å; L329-L656 HydrophobicContact CD1-CD2 4.45Å; L329-L656 HydrophobicContact CD2-CB 4.06Å; L349-L656 HydrophobicContact CD1-CD2 4.04Å; A352-L656 HydrophobicContact CB-CD1 4.47Å; A352-L656 HydrophobicContact CB-CD2 4.19Å; A352-L656 HydrophobicContact CB-CG 4Å; L353-L656 HydrophobicContact CD2-CD2 3.94Å; L353-L656 HydrophobicContact CG-CD2 4.43Å; R356-L656 HydrophobicContact CB-CD1 3.84Å; R356-L656 HydrophobicContact CG-CD1 4.42Å; G652-L656 PolarHBondContact O-N 3.2Å; G652-L656 VanDerWaalsContact O-N 3.1Å; L656-Y660 HydrophobicContact CD2-CD2 4.32Å; L656-Y660 CarbonylContact O-C 3.39Å; L656-Y660 WeakPolarHBondContact O-CA 3.25Å; L656-Y660 PolarHBondContact O-N 3.44Å; L656-Y660 VanDerWaalsContact O-N 3.14Å; L656-A661 PolarHBondContact O-N 2.83Å
657K87.5Confident72.2Confident146 Ų14668.6 Ų68.664%0.63536%0.355SS*.Hα-helixtrans-72.9-39.7179.7-168.1-179.2177.2-171.80112.5F327 E653 G654 L655 A661F327-K657 HydrophobicContact CD1-CG 4.38Å; F327-K657 HydrophobicContact CE1-CB 3.76Å; F327-K657 HydrophobicContact CE1-CD 4.41Å; F327-K657 HydrophobicContact CE1-CG 4.01Å; F327-K657 HydrophobicContact CE2-CB 4.06Å; F327-K657 HydrophobicContact CZ-CB 3.46Å; F327-K657 VanDerWaalsContact CZ-CB 3.46Å; F327-K657 HydrophobicContact CZ-CG 4.09Å; F327-K657 VanDerWaalsContact CZ-N 3.31Å; E653-K657 WeakPolarHBondContact O-CB 3.43Å; E653-K657 PolarHBondContact O-N 3.15Å; G654-K657 PolarHBondContact O-N 2.96Å; L655-K657 VanDerWaalsContact C-N 3.27Å; L655-K657 PolarHBondContact O-N 3.37Å; K657-A661 WeakPolarHBondContact O-CB 3.37Å
658H85.5Confident70.6Confident94 Ų9473.6 Ų73.644%0.43538%0.379SS..Hα-helixtrans-72.9-49.9-177.3-172.1-87.3000112.1H645 I649 G654 L655H645-H658 AromaticContact CE1-NE2 3.4Å; H645-H658 PolarHBondContact CE1-NE2 2.94Å; I649-H658 HydrophobicContact CG2-CB 3.97Å; G654-H658 WeakPolarHBondContact O-CB 3.47Å; G654-H658 PolarHBondContact O-N 2.97Å; L655-H658 PolarHBondContact O-N 3.49Å
659D87.2Confident69Low42 Ų4276 Ų7623%0.22539%0.392CS..Hα-helixtrans-97.7-24.7-169.6-76.7-0.1000113.6K333 L655K333-D659 WeakPolarHBondContact CE-O 3.39Å; K333-D659 PolarHBondContact NZ-O 2.76Å; L655-D659 PolarHBondContact O-N 3.45Å
660Y92.7Very high66.8Low10 Ų1082 Ų824%0.03943%0.425CS..SBendtrans-129.8-1.7-164.8-54.6-80.3000115.9L329 N330 K333 I334 D337 M341 L349 L655 L656L329-Y660 CarbonylContact C-O 3.5Å; L329-Y660 VanDerWaalsContact CA-O 3.32Å; L329-Y660 WeakPolarHBondContact CA-O 3.38Å; N330-Y660 PolarHBondContact N-O 2.73Å; K333-Y660 HydrophobicContact CD-CD1 4.09Å; K333-Y660 HydrophobicContact CD-CE1 4.29Å; K333-Y660 HydrophobicContact CG-CD1 4.07Å; K333-Y660 HydrophobicContact CG-CE1 4.09Å; I334-Y660 HydrophobicContact CB-CD1 4.39Å; I334-Y660 HydrophobicContact CD1-CD1 4.29Å; I334-Y660 HydrophobicContact CD1-CG 4.27Å; I334-Y660 HydrophobicContact CG1-CD1 3.32Å; I334-Y660 HydrophobicContact CG1-CE1 3.89Å; I334-Y660 HydrophobicContact CG1-CG 3.74Å; D337-Y660 HydrophobicContact CB-CE1 4.19Å; D337-Y660 WeakPolarHBondContact OD2-CE1 3.43Å; M341-Y660 WeakPolarHBondContact CE-OH 3.41Å; L349-Y660 HydrophobicContact CD1-CD2 4.16Å; L349-Y660 HydrophobicContact CD1-CE2 3.7Å; L349-Y660 HydrophobicContact CD2-CE1 4.49Å; L349-Y660 HydrophobicContact CD2-CE2 4.48Å; L655-Y660 HydrophobicContact CG-CE2 4.48Å; L656-Y660 HydrophobicContact CD2-CD2 4.32Å; L656-Y660 CarbonylContact O-C 3.39Å; L656-Y660 WeakPolarHBondContact O-CA 3.25Å; L656-Y660 PolarHBondContact O-N 3.44Å; L656-Y660 VanDerWaalsContact O-N 3.14Å
661A89Confident65Low38 Ų3888.2 Ų88.231%0.31446%0.46SS..BIsolated β-bridgetrans-66.2137.3175.300000111.3F327 E328 L656 K657F327-A661 HydrophobicContact CD2-CB 3.54Å; F327-A661 HydrophobicContact CE2-CB 3.93Å; F327-A661 HydrophobicContact CG-CB 4.31Å; E328-A661 WeakPolarHBondContact O-CA 3.29Å; L656-A661 PolarHBondContact O-N 2.83Å; K657-A661 WeakPolarHBondContact O-CB 3.37Å
662M84.1Confident62.5Low84 Ų8495.9 Ų95.941%0.41450%0.501SS..  trans-81.5116.1165.6-63.2-150.2-64.800109.7E328 N330 T664E328-M662 HydrophobicContact CB-CE 4.28Å; E328-M662 HydrophobicContact CG-CE 3.79Å; E328-M662 PolarHBondContact O-N 2.67Å; E328-M662 WeakPolarHBondContact OE2-CE 3.38Å; N330-M662 HydrophobicContact CB-CG 4.07Å; M662-T664 PolarHBondContact O-N 3.42Å
663E62.7Low59.7Low181 Ų181101.2 Ų101.285%0.84654%0.537SS*.  trans-65.8115.8166.1-72.2-163.6133.700109.3V665E663-V665 VanDerWaalsContact C-N 3.28Å; E663-V665 PolarHBondContact O-N 3.04Å
664T48.9Very low57Low113 Ų113105 Ų10569%0.69356%0.557SS**  trans-72.184.7175.453.50000109.9M662 M666M662-T664 PolarHBondContact O-N 3.42Å; T664-M666 PolarHBondContact O-N 3.14Å
665V35.1Very low54.6Low118 Ų118107.8 Ų107.872%0.71557%0.566SS**  trans-58.9106.9168.6179.70000107.9E663 K667E663-V665 VanDerWaalsContact C-N 3.28Å; E663-V665 PolarHBondContact O-N 3.04Å; V665-K667 HydrophobicContact CG1-CG 4.46Å; V665-K667 PolarHBondContact O-N 2.99Å
666M31Very low51.7Low165 Ų165118.3 Ų118.381%0.81361%0.605SS**  trans-67.376.6177.5-76.4-80.3-170.900110.7T664 N668T664-M666 PolarHBondContact O-N 3.14Å; M666-N668 PolarHBondContact O-N 3.39Å
667K29.3Very low48.8Very low174 Ų174122.9 Ų122.976%0.75764%0.636SS**  trans-73.2107.5160.6-79.9-168.1172.6-174.10108.4V665 D669V665-K667 HydrophobicContact CG1-CG 4.46Å; V665-K667 PolarHBondContact O-N 2.99Å; K667-D669 PolarHBondContact O-N 3.39Å
668N27Very low46Very low154 Ų154123.2 Ų123.282%0.82464%0.638SS**  trans-65.893.6167.8-71.2-22.8000109.5M666M666-N668 PolarHBondContact O-N 3.39Å
669D32.7Very low43.4Very low135 Ų135123.4 Ų123.472%0.72265%0.647SS**  trans-132.9117.1167.4-88.7-55.4000110.3K667 N671K667-D669 PolarHBondContact O-N 3.39Å; D669-N671 PolarHBondContact O-N 2.94Å; D669-N671 VanDerWaalsContact O-N 3.11Å
670N27.4Very low40.5Very low173 Ų173126.9 Ų126.993%0.92568%0.675SS**  trans-75.896.1179.3-73.7-34.3000110.2
671N32.3Very low37.4Very low154 Ų154137 Ų13782%0.82471%0.714SS**  trans-134.1117.4166.6-107.5-37.5000111.6D669 C673D669-N671 PolarHBondContact O-N 2.94Å; D669-N671 VanDerWaalsContact O-N 3.11Å; N671-C673 PolarHBondContact O-N 2.97Å
672N26.5Very low34.5Very low164 Ų164142.4 Ų142.488%0.87774%0.737SS**  trans-74.972177.2-85.1-18.1000111.1I674N672-I674 PolarHBondContact O-N 2.77Å
673C26.8Very low31.9Very low112 Ų112149.2 Ų149.276%0.75776%0.758SS**  trans-71.2109.3158-168.80000108N671 D675N671-C673 PolarHBondContact O-N 2.97Å; C673-D675 PolarHBondContact O-N 3.21Å
674I28.6Very low30.1Very low117 Ų117148.1 Ų148.160%0.676%0.758SS**  trans-73.795.1175.6-62.2178000107.8N672 W676N672-I674 PolarHBondContact O-N 2.77Å; I674-W676 HydrophobicContact CG2-CD2 4.19Å; I674-W676 HydrophobicContact CG2-CG 4.43Å; I674-W676 HydrophobicContact CG2-CZ2 4.22Å; I674-W676 PolarHBondContact O-N 2.85Å; I674-W676 VanDerWaalsContact O-N 3.15Å
675D31.5Very low29.1Very low81 Ų81150.6 Ų150.643%0.43377%0.767SS.*  trans-69.5101167.8173.617.4000109.8C673 C677C673-D675 PolarHBondContact O-N 3.21Å; D675-C677 PolarHBondContact O-N 2.93Å; D675-C677 WeakPolarHBondContact OD1-CA 3.49Å; D675-C677 WeakPolarHBondContact OD1-CB 3.37Å; D675-C677 PolarHBondContact OD1-N 3.26Å
676W27.6Very low28.8Very low229 Ų229152.4 Ų152.487%0.86777%0.768SS**THydrogen-bonded Turntrans-69.7-6.8177.4-65.291.7000113.4I674I674-W676 HydrophobicContact CG2-CD2 4.19Å; I674-W676 HydrophobicContact CG2-CG 4.43Å; I674-W676 HydrophobicContact CG2-CZ2 4.22Å; I674-W676 PolarHBondContact O-N 2.85Å; I674-W676 VanDerWaalsContact O-N 3.15Å
677C30.9Very low28.7Very low96 Ų96152.6 Ų152.665%0.64977%0.77SS**THydrogen-bonded Turntrans-96.923.9178.4-70.30000113.9D675 P679D675-C677 PolarHBondContact O-N 2.93Å; D675-C677 WeakPolarHBondContact OD1-CA 3.49Å; D675-C677 WeakPolarHBondContact OD1-CB 3.37Å; D675-C677 PolarHBondContact OD1-N 3.26Å; C677-P679 VanDerWaalsContact O-CD 3.29Å; C677-P679 WeakPolarHBondContact O-CD 3.42Å
678K29Very low28.5Very low153 Ų153155.5 Ų155.567%0.66578%0.777SS**  trans-88.2108.1166.9-70.4176.1-178167.30111.3S680K678-S680 PolarHBondContact O-N 2.95Å
679P30.5Very low28.5Very low98 Ų98155.4 Ų155.464%0.63678%0.775SS**  trans-67.7132161.2-5.623.4000107.7C677 W681C677-P679 VanDerWaalsContact O-CD 3.29Å; C677-P679 WeakPolarHBondContact O-CD 3.42Å; P679-W681 PolarHBondContact O-N 2.88Å; P679-W681 VanDerWaalsContact O-N 3.1Å
680S27.1Very low28.2Very low116 Ų116154.2 Ų154.281%0.81178%0.778SS**  trans-68.5108.616548.40000108.2K678 N682K678-S680 PolarHBondContact O-N 2.95Å; S680-N682 PolarHBondContact O-N 3.29Å
681W27.3Very low28.1Very low223 Ų223152.9 Ų152.985%0.84577%0.77SS**  trans-65.5105.5177.6-73.922.7000109P679P679-W681 PolarHBondContact O-N 2.88Å; P679-W681 VanDerWaalsContact O-N 3.1Å
682N28Very low27.8Very low151 Ų151152.8 Ų152.881%0.80777%0.77SS**PPolyproline II helixtrans-101.9155.1165.1-148.7-12.9000109.1S680S680-N682 PolarHBondContact O-N 3.29Å
683R29Very low27.9Very low226 Ų226150.5 Ų150.585%0.85377%0.767SS**PPolyproline II helixtrans-53147.7-154-70.6179.5170.2-178.4-3.4116.5N685R683-N685 PolarHBondContact O-N 3.33Å
684D26.4Very low28Very low158 Ų158153.8 Ų153.885%0.84577%0.768SS**PPolyproline II helixtrans-50.2120.4167.8-53.3-98.4000112.6
685N27.4Very low27.9Very low166 Ų166159.2 Ų159.289%0.88878%0.781SS**  trans-168.361.5161.6-110.7-22.4000112.6R683R683-N685 PolarHBondContact O-N 3.33Å
686E28.3Very low28Very low156 Ų156159.5 Ų159.573%0.72978%0.783SS**  trans-143.556174.9-142.4168.3-123.300112.8R220R220-E686 IonicContact CZ-OE2 3.79Å; R220-E686 IonicContact NH2-OE1 2.7Å; R220-E686 PolarHBondContact NH2-OE1 3.39Å; R220-E686 IonicContact NH2-OE2 2.67Å; R220-E686 PolarHBondContact NH2-OE2 3.34Å
687I28.4Very low28.1Very low168 Ų168154.4 Ų154.486%0.86277%0.773SS**  trans-124.174.5164.5-51.9-179.9000109.7
688R26.8Very low28.3Very low236 Ų236155.5 Ų155.589%0.89177%0.771SS**  trans167.9107.5157.8-97158-173.2-154.32.5109.1
689L25.4Very low28.8Very low152 Ų152151.7 Ų151.780%0.79676%0.762SS**  trans168.688.9149.5-96.9162.2000110.1
690S26.7Very low29.6Very low110 Ų110149.2 Ų149.277%0.76974%0.743SS**  trans173.647.1157.360.30000113.5
691N25.8Very low30.3Very low145 Ų145149.9 Ų149.978%0.77573%0.734SS**  trans-128.382.9166.4-107.20.2000108.9
692N26.8Very low31.4Very low151 Ų151144.1 Ų144.181%0.80771%0.712SS**  trans-147.5124.8168.7-96.3-34.6000108.5
693S28Very low32.7Very low116 Ų116138.6 Ų138.681%0.81168%0.684SS**  trans-99119.2176.5178.20000109.4
694F27.9Very low34Very low182 Ų182130.4 Ų130.480%0.79866%0.659SS**  trans-137.6162.4169.8-86.5-73.9000111.9
695R27.5Very low35.9Very low231 Ų231123.6 Ų123.687%0.87262%0.624SS**  trans-79.7135.2-157.9-62.6176.7176.9179.7-2.7112.9
696N32.8Very low37.7Very low86 Ų86115.7 Ų115.746%0.4658%0.581SS.*  trans-85.7134.3166.9-82.2-18.9000111.2R581 Q701R581-N696 PolarHBondContact NH1-O 3.3Å; R581-N696 VanDerWaalsContact NH1-O 3.09Å; N696-Q701 PolarHBondContact ND2-OE1 2.58Å
697D30.8Very low39Very low123 Ų123108.8 Ų108.866%0.65855%0.55SS*.  trans-115.218.4169.8-89.8-33.7000112.9R581R581-D697 IonicContact CZ-OD1 3.52Å; R581-D697 IonicContact NH1-OD1 2.68Å; R581-D697 PolarHBondContact NH1-OD1 3.47Å; R581-D697 IonicContact NH2-OD1 2.75Å; R581-D697 PolarHBondContact NH2-OD1 3.24Å
698L34.2Very low40.1Very low119 Ų119102.1 Ų102.162%0.62352%0.515SS*.SBendtrans-97.1148.8170.1-75.884.7000111.1L700L698-L700 PolarHBondContact O-N 3.28Å
699P39.1Very low41.3Very low72 Ų7294.3 Ų94.347%0.46849%0.486SS..SBendtrans-72.5108.9-179.629.4-34000111.6F585F585-P699 HydrophobicContact CE1-CB 4.31Å; F585-P699 HydrophobicContact CE2-CB 4.48Å; F585-P699 HydrophobicContact CZ-CB 4.21Å
700L47.7Very low42.2Very low47 Ų4789.4 Ų89.425%0.24646%0.464CS..  trans52.571.1162.4-59.5172000115.4Y547 Q582 F585 L698Y547-L700 HydrophobicContact CD1-CD1 3.93Å; Y547-L700 HydrophobicContact CD2-CD1 3.7Å; Y547-L700 HydrophobicContact CE1-CD1 4.46Å; Y547-L700 HydrophobicContact CE2-CD1 4.25Å; Y547-L700 HydrophobicContact CG-CD1 3.52Å; Q582-L700 HydrophobicContact CB-CD2 4.21Å; Q582-L700 HydrophobicContact CG-CD2 3.79Å; F585-L700 HydrophobicContact CB-CD1 4.35Å; F585-L700 HydrophobicContact CD2-CG 4.44Å; L698-L700 PolarHBondContact O-N 3.28Å
701Q42.5Very low42.6Very low129 Ų12986.5 Ų86.560%0.60345%0.447SS*.PPolyproline II helixtrans-58.9152.8161.2-79-176-31.600111.5N696N696-Q701 PolarHBondContact ND2-OE1 2.58Å
702R50.1Low42.9Very low103 Ų10387.9 Ų87.939%0.38944%0.441SS..PPolyproline II helixtrans-59.1124.5175.2-166.7-175.1-163173.17.9109.5S463 L464 N505S463-R702 PolarHBondContact O-NH2 2.88Å; L464-R702 PolarHBondContact O-NH1 3.36Å; N505-R702 PolarHBondContact OD1-NE 2.76Å; N505-R702 VanDerWaalsContact OD1-NE 3.12Å; N505-R702 PolarHBondContact OD1-NH2 2.79Å
703P54.9Low43.2Very low34 Ų3486.2 Ų86.222%0.22143%0.432CS..PPolyproline II helixtrans-65147.1173.527.1-33.9000111M504 P540 Y541M504-P703 HydrophobicContact CE-CG 4.44Å; P540-P703 HydrophobicContact CB-CB 4.21Å; P540-P703 HydrophobicContact CB-CG 4.35Å; Y541-P703 HydrophobicContact CD1-CB 4.26Å; Y541-P703 HydrophobicContact CD1-CG 3.46Å; Y541-P703 VanDerWaalsContact CD1-CG 3.46Å; Y541-P703 HydrophobicContact CE1-CB 3.89Å; Y541-P703 HydrophobicContact CE1-CG 3.57Å
704T57.3Low43.1Very low55 Ų5585 Ų8534%0.33742%0.423SS..PPolyproline II helixtrans-57.5159.6169.645.40000111.4Y541Y541-T704 PolarHBondContact OH-O 3.44Å
705T65.7Low43.1Very low15 Ų1584 Ų849%0.09243%0.425CS..PPolyproline II helixtrans-58.1149.817745.70000112.5L464 S707 Q708 R709L464-T705 HydrophobicContact CD1-CG2 3.96Å; L464-T705 HydrophobicContact CD2-CG2 4.37Å; T705-S707 PolarHBondContact O-N 2.81Å; T705-Q708 PolarHBondContact O-N 3.14Å; T705-R709 PolarHBondContact O-N 3.4Å
706P65Low42.9Very low0 Ų077.5 Ų77.50%042%0.415CS..Hα-helixtrans-35.3-72.8-179.4-4040.6000115.8E497 Y498 A501 Y541 Q708 R709 S710E497-P706 HydrophobicContact CB-CB 4.48Å; E497-P706 VanDerWaalsContact CD-CB 3.41Å; E497-P706 HydrophobicContact CG-CB 3.94Å; E497-P706 HydrophobicContact CG-CG 3.92Å; E497-P706 WeakPolarHBondContact OE1-CA 3.35Å; E497-P706 VanDerWaalsContact OE1-CB 3.29Å; E497-P706 WeakPolarHBondContact OE1-CB 3.29Å; Y498-P706 HydrophobicContact CD1-CB 4.36Å; Y498-P706 HydrophobicContact CD1-CG 3.86Å; Y498-P706 HydrophobicContact CD2-CB 4.1Å; Y498-P706 HydrophobicContact CD2-CG 4.22Å; Y498-P706 HydrophobicContact CE1-CB 4.02Å; Y498-P706 HydrophobicContact CE1-CG 3.87Å; Y498-P706 HydrophobicContact CE2-CB 3.69Å; Y498-P706 HydrophobicContact CE2-CG 4.21Å; Y498-P706 HydrophobicContact CG-CB 4.43Å; Y498-P706 HydrophobicContact CG-CG 4.07Å; A501-P706 HydrophobicContact CB-CG 4.1Å; Y541-P706 HydrophobicContact CE2-CG 4.37Å; Y541-P706 VanDerWaalsContact OH-CA 3.3Å; Y541-P706 WeakPolarHBondContact OH-CA 3.27Å; Y541-P706 WeakPolarHBondContact OH-CD 3.35Å; P706-Q708 VanDerWaalsContact C-N 3.25Å; P706-Q708 PolarHBondContact O-N 3.38Å; P706-Q708 VanDerWaalsContact O-N 3.17Å; P706-R709 VanDerWaalsContact O-CB 3.25Å; P706-R709 WeakPolarHBondContact O-CB 3.31Å; P706-R709 PolarHBondContact O-N 3.21Å; P706-S710 PolarHBondContact O-N 2.92Å; P706-S710 PolarHBondContact O-OG 3.4Å
707S55.1Low42.7Very low10 Ų1081.1 Ų81.17%0.0743%0.429CS..Hα-helixtrans-69.8-18.5-171.4-49.60000113.7Y498 D620 T705 R709 A711Y498-S707 WeakPolarHBondContact OH-CB 3.5Å; Y498-S707 PolarHBondContact OH-OG 2.78Å; D620-S707 VanDerWaalsContact OD2-CB 3.32Å; D620-S707 WeakPolarHBondContact OD2-CB 3.49Å; D620-S707 PolarHBondContact OD2-OG 3.13Å; T705-S707 PolarHBondContact O-N 2.81Å; S707-R709 VanDerWaalsContact C-N 3.34Å; S707-A711 WeakPolarHBondContact O-CB 3.4Å; S707-A711 PolarHBondContact O-N 3.26Å
708Q52.5Low42.4Very low29 Ų2983.2 Ų83.214%0.13644%0.44CS..Hα-helixtrans-72.1-28.2170.2-75.4-165.4-9.400112.4A614 I616 E618 T705 P706 R712A614-Q708 PolarHBondContact O-NE2 3.05Å; I616-Q708 PolarHBondContact O-NE2 2.92Å; E618-Q708 HydrophobicContact CG-CG 4.41Å; T705-Q708 PolarHBondContact O-N 3.14Å; P706-Q708 VanDerWaalsContact C-N 3.25Å; P706-Q708 PolarHBondContact O-N 3.38Å; P706-Q708 VanDerWaalsContact O-N 3.17Å; Q708-R712 PolarHBondContact O-N 2.87Å
709R52.2Low42Very low71 Ų7185.3 Ų85.327%0.26845%0.447SS..Hα-helixtrans-70.7-46.2176-160.4179-167.9-120.47.2110.9D537 T705 P706 S707 A711 R712D537-R709 IonicContact OD1-CZ 3.97Å; D537-R709 IonicContact OD1-NH1 3.24Å; D537-R709 PolarHBondContact OD1-NH1 2.92Å; T705-R709 PolarHBondContact O-N 3.4Å; P706-R709 VanDerWaalsContact O-CB 3.25Å; P706-R709 WeakPolarHBondContact O-CB 3.31Å; P706-R709 PolarHBondContact O-N 3.21Å; S707-R709 VanDerWaalsContact C-N 3.34Å; R709-A711 VanDerWaalsContact C-N 3.32Å; R709-A711 PolarHBondContact O-N 2.69Å; R709-R712 PolarHBondContact O-N 2.75Å
710S44Very low41.4Very low49 Ų4987.3 Ų87.334%0.34346%0.46SS..Hα-helixtrans-61.4-40.5175.8-28.90000111.7P706 R712 N713 S714P706-S710 PolarHBondContact O-N 2.92Å; P706-S710 PolarHBondContact O-OG 3.4Å; S710-R712 VanDerWaalsContact C-N 3.27Å; S710-R712 PolarHBondContact O-N 3.05Å; S710-N713 PolarHBondContact O-N 3.46Å; S710-N713 VanDerWaalsContact O-N 3.09Å; S710-S714 PolarHBondContact O-N 2.9Å; S710-S714 PolarHBondContact O-OG 3.28Å
711A34.4Very low40.3Very low49 Ų4991.1 Ų91.141%0.40549%0.49SS..Hα-helixtrans-59.1-33.917800000113.3S707 R709S707-A711 WeakPolarHBondContact O-CB 3.4Å; S707-A711 PolarHBondContact O-N 3.26Å; R709-A711 VanDerWaalsContact C-N 3.32Å; R709-A711 PolarHBondContact O-N 2.69Å
712R33Very low39.6Very low174 Ų17491.4 Ų91.466%0.65750%0.501SS*.Hα-helixtrans-71.5-27.6175.8-83.7-179.5159.2163.5-3.6114.2Q708 R709 S710Q708-R712 PolarHBondContact O-N 2.87Å; R709-R712 PolarHBondContact O-N 2.75Å; S710-R712 VanDerWaalsContact C-N 3.27Å; S710-R712 PolarHBondContact O-N 3.05Å
713N32.9Very low38.5Very low116 Ų11689.9 Ų89.962%0.6252%0.518SS*.Hα-helixtrans-92.2-5.4-179.6-67.2-14.9000113.3S710 I715S710-N713 PolarHBondContact O-N 3.46Å; S710-N713 VanDerWaalsContact O-N 3.09Å; N713-I715 PolarHBondContact O-N 2.92Å
714S26.2Very low37.2Very low90 Ų9094.2 Ų94.263%0.62955%0.548SS*.  trans-7851.4-171.2-63.90000114.7S710S710-S714 PolarHBondContact O-N 2.9Å; S710-S714 PolarHBondContact O-OG 3.28Å
715I26.8Very low35.8Very low161 Ų161102.9 Ų102.983%0.82658%0.575SS**SBendtrans-13045.8167.1-41.7-179000109.7N713N713-I715 PolarHBondContact O-N 2.92Å
716S24.3Very low34.1Very low95 Ų95109.6 Ų109.666%0.66461%0.61SS**SBendtrans-156.1118.2169.4-166.30000111
717E29.1Very low32.3Very low163 Ų163117.4 Ų117.476%0.76265%0.647SS**  trans52130.2153.6-59.5-175.5149.500121.5
718N23.8Very low31Very low166 Ų166124 Ų12489%0.88868%0.68SS**  trans-79.5125.7169.8-64.5-56.2000110.6
719H26.3Very low29.8Very low164 Ų164132.7 Ų132.776%0.75971%0.713SS**  trans-131.9126.5159.7-83.4-75.9000111
720P25.8Very low28.6Very low114 Ų114136.6 Ų136.674%0.7474%0.739SS**  trans-75.5133.517431.2-33.1000110.2T722P720-T722 PolarHBondContact O-N 2.94Å
721S25.3Very low27.7Very low126 Ų126139 Ų13988%0.88176%0.756SS**  trans-76.1113.9178.8-171.80000111.4
722T26.5Very low27.5Very low135 Ų135143 Ų14383%0.82878%0.776SS**  trans-135.7125.9162.557.30000108.3P720P720-T722 PolarHBondContact O-N 2.94Å
723G27.8Very low27.2Very low72 Ų72139.8 Ų139.874%0.74278%0.78SS**  trans-173.255.5-168.700000115.3R725G723-R725 PolarHBondContact O-N 3.19Å; G723-R725 VanDerWaalsContact O-N 3.08Å
724S27.6Very low27Very low124 Ų124141.1 Ų141.187%0.86779%0.786SS**  trans-58.6111.6173.2-620000111.2N726S724-N726 PolarHBondContact O-N 3.38Å
725R27.3Very low26.9Very low238 Ų238142.8 Ų142.890%0.89879%0.788SS**  trans-75.293.1-176.1-171.3178.3-173.3170.22.7111.5G723G723-R725 PolarHBondContact O-N 3.19Å; G723-R725 VanDerWaalsContact O-N 3.08Å
726N29.3Very low27Very low155 Ų155143.4 Ų143.483%0.82979%0.787SS**  trans-120.4166166.2-113.1-26.3000111.5S724S724-N726 PolarHBondContact O-N 3.38Å
727Q27.3Very low27Very low164 Ų164144.9 Ų144.977%0.76678%0.783SS**  trans-100.5162.2-152.2-55.6177.90.700115.4
728L28.1Very low27Very low148 Ų148145.4 Ų145.478%0.77578%0.779SS**  trans89.6142.6157.1-62.2138.5000119.7
729Y27.1Very low27.1Very low213 Ų213145.3 Ų145.384%0.83577%0.774SS**  trans-48162.3167.3-49.3-100000113
730D27.9Very low27Very low152 Ų152144.9 Ų144.981%0.81377%0.772SS**  cis-151.5-175.923.5-152.1-16.4000112.4
731S25Very low27Very low99 Ų99145.3 Ų145.369%0.69277%0.768SS**  trans-113.1135.3-164.3-49.30000116
732T30.2Very low26.9Very low134 Ų134144.1 Ų144.182%0.82276%0.759SS**  trans178.8126.2132.641.60000114.5
733S27.3Very low27Very low107 Ų107145.5 Ų145.575%0.74876%0.761SS**  32.6145.9121.3-56.20000123
734I27.7Very low26.8Very low144 Ų144150.3 Ų150.374%0.73876%0.764SS**  cis-173.3158.7-17.5-130.6160.5000111.1
735N24.4Very low26.8Very low125 Ų125152.3 Ų152.367%0.66876%0.764SS**  trans53.9121162.2-66.911.3000124
736H28.8Very low26.8Very low174 Ų174148.3 Ų148.381%0.80676%0.76SS**  -178171.7103.9-91.5-74.5000108.7
737E24.3Very low26.6Very low125 Ų125149.5 Ų149.558%0.58477%0.766SS**  -167.3163.7-55.8-157.1165.8-159.300108.5
738Y29Very low26.4Very low174 Ų174152.5 Ų152.568%0.68277%0.77SS**  trans71.1117.7174.9-63.9-73.9000117
739E25.6Very low26.3Very low165 Ų165152.9 Ų152.977%0.77177%0.773SS**  75.513887.7-84.7178.8-163.500114.4
740E24.7Very low26.3Very low155 Ų155148.7 Ų148.772%0.72478%0.775SS**  cis-159.4173-6.1-152.9-157.4-157.900110.5
741N26.8Very low26.1Very low123 Ų123149.4 Ų149.466%0.65878%0.778SS**  trans85.5126.2148.5-120.5-51.4000122.5
742C22.8Very low26.2Very low101 Ų101149.3 Ų149.368%0.68278%0.783SS**  trans12.4128161.5-63.80000122.6
743N27.4Very low26.1Very low163 Ų163149.6 Ų149.687%0.87279%0.785SS**  -159.8160.3106-107.4-56.2000114
744Q24.7Very low26.2Very low173 Ų173151 Ų15181%0.80878%0.782SS**  trans-77.6133.7-178.8-63.4173-10.200111.9
745L28.2Very low26.3Very low167 Ų167150.7 Ų150.787%0.87479%0.787SS**  trans-132.2120165.1-75.7175.4000110.8L747L745-L747 PolarHBondContact O-N 2.78Å
746N25.3Very low26.6Very low153 Ų153154 Ų15482%0.81880%0.799SS**  trans-78.4114.6175.3-73.5-73.4000109.8R748N746-R748 PolarHBondContact O-N 3.2Å
747L26.1Very low26.7Very low180 Ų180148 Ų14894%0.94278%0.776SS**  trans-77.771.5171.6-78167.6000111.7L745L745-L747 PolarHBondContact O-N 2.78Å
748R23.8Very low27.2Very low228 Ų228147.9 Ų147.986%0.8677%0.774SS**  trans-86.1105.3148.8-99.5-169.6171.7-167.3-1.8107.5N746N746-R748 PolarHBondContact O-N 3.2Å
749D25.5Very low27.7Very low156 Ų156144 Ų14483%0.83478%0.778SS**  trans173.184.6141.1-88.2-13.9000109.8
750S26.4Very low28Very low124 Ų124144.1 Ų144.187%0.86778%0.784SS**  trans-159.841.9171.9-75.30000112.3
751L24Very low28.1Very low168 Ų168144.9 Ų144.988%0.8879%0.788SS**  trans-142.376.8177.9-86.3175000111.3
752A26.8Very low28.3Very low96 Ų96146.1 Ų146.179%0.79380%0.8SS**  trans-150.233.8-177.900000115
753T28.6Very low29Very low141 Ų141147.7 Ų147.787%0.86581%0.806SS**SBendtrans-145.316.1-175.8-21.70000116.1
754I28.7Very low29.5Very low137 Ų137145.6 Ų145.670%0.70380%0.801SS**SBendtrans-113.1-16.1-172.4-69.2177.5000113.9Q756I754-Q756 PolarHBondContact O-N 3.28Å
755T30.4Very low29.6Very low136 Ų136148 Ų14883%0.83480%0.803SS**SBendtrans-96.319.9-166.7-24.90000115.7
756Q31.6Very low29.4Very low196 Ų196145 Ų14592%0.91680%0.795SS**  trans-13281.6177-74.1-173.4-16.100112I754I754-Q756 PolarHBondContact O-N 3.28Å
757S30.7Very low29.6Very low47 Ų47144 Ų14433%0.32980%0.795SS.*SBendtrans-146.728.5166.651.10000113.4
758F35.2Very low29.7Very low122 Ų122141.4 Ų141.454%0.53579%0.786SS.*  trans-141.962.8179.8-67.4-71.7000111.8H404H404-F758 AromaticContact NE2-CE1 3.45Å; H404-F758 WeakPolarHBondContact NE2-CE1 3.5Å
759A38Very low30.3Very low94 Ų94136 Ų13678%0.77778%0.781SS**  trans-157.9106.6168.300000111.7
760D32.6Very low30.5Very low166 Ų166135.6 Ų135.689%0.88878%0.779SS**  trans13.5151.3160.9-57.2-19.5000124.6
761E26.7Very low30.6Very low172 Ų172136.6 Ų136.680%0.80477%0.77SS**  trans-72.5137.8174-57174.7127.900112.9
762T32Very low30.9Very low148 Ų148137.2 Ų137.291%0.90877%0.766SS**  trans-159.1159142.240000111.4
763T35.6Very low30.9Very low135 Ų135140.2 Ų140.283%0.82877%0.767SS**  trans-115177.9-154.6-2.90000113.1
764P38.2Very low31.5Very low118 Ų118138.3 Ų138.377%0.76676%0.757SS**  -129.2-171.5-115.442.8-25.6000116
765R27.5Very low31.5Very low223 Ų223136.9 Ų136.984%0.84276%0.76SS**  trans128.5122.5132.5-168.2174.1-166.1170.46.9117.9
766C23.9Very low31.4Very low106 Ų106134.8 Ų134.872%0.71675%0.75SS**  trans64.6158.4162.6-66.20000116.8
767T29.4Very low31.4Very low130 Ų130131.6 Ų131.680%0.79874%0.739SS**  cis-152.516218.5-27.20000111.8
768T29.2Very low31.5Very low126 Ų126135.1 Ų135.177%0.77376%0.755SS**  trans-114.4156.7163.358.70000108.5
769P35.2Very low31.3Very low114 Ų114134.6 Ų134.674%0.7476%0.758SS**  -158.7159.768.843.1-21.5000120.2
770N29.9Very low30.9Very low149 Ų149136.2 Ų136.280%0.79775%0.749SS**  trans56.3155.3140.3-85.210.2000126.9
771E28.8Very low30.8Very low145 Ų145137 Ų13768%0.67874%0.741SS**  trans75.9143.5161.9-74.1173-146.900118
772K31Very low30.8Very low181 Ų181133.7 Ų133.779%0.78773%0.732SS**  cis-150.5166.117.9-131.5148.7-175.4143.30114.4
773L25.1Very low30.6Very low159 Ų159133 Ų13383%0.83272%0.722SS**  trans-93.4-168.6176-116.969.5000111
774P41.6Very low30.2Very low100 Ų100133.8 Ų133.865%0.64971%0.713SS**  cis-142.6-163.2-27.735.8-14000115
775S28Very low29.5Very low108 Ų108132.9 Ų132.976%0.75570%0.699SS**  trans90.7158.1143.6840000119.2
776S29.9Very low29.5Very low91 Ų91131.3 Ų131.364%0.63669%0.694SS**  cis-158.617410.4-154.50000115.6
777N31.9Very low29.6Very low129 Ų129130.5 Ų130.569%0.6969%0.69SS**  trans79.4150155.1-59.6-13.9000118.3
778N32.1Very low29.4Very low121 Ų121129.9 Ų129.965%0.64769%0.686SS**  cis-176.7167.8-16-94.5-16.9000105.7
779N30.9Very low29.3Very low112 Ų112129.6 Ų129.660%0.59968%0.684SS**  cis-167.7176.3-14.1-103.6-22.9000105.1
780H29.9Very low28.9Very low128 Ų128133 Ų13359%0.59369%0.687SS**  cis-164.4-174.45.1-109.9-9.2000105.4
781Y29.7Very low28.8Very low183 Ų183132.6 Ų132.672%0.71869%0.685SS**  cis-159.6173.62.8-122.3-28.9000111.8
782T27.5Very low28.7Very low102 Ų102133.2 Ų133.263%0.62669%0.692SS**  trans-18.1160.8152.551.40000121.4
783I28Very low28.5Very low133 Ų133128.2 Ų128.268%0.68269%0.692SS**  cis-167.115216.2-124.7164.4000113.8
784K26.2Very low28.7Very low151 Ų151126.7 Ų126.766%0.65769%0.69SS**  trans37.7161.9143.6-66.5167.9154.8-101.30122.3
785E24.4Very low28.1Very low99 Ų99130.6 Ų130.646%0.46370%0.697SS.*  cis-171.7162.7-7.6-113.4165159.700111.2
786Y26.7Very low28Very low191 Ų191131.9 Ų131.975%0.74969%0.694SS**  trans61.4159.8157.8-57.3-45.9000118.9
787S25.8Very low28Very low88 Ų88137.7 Ų137.762%0.61571%0.708SS**  cis-166.2159-23.1-98.10000112.7
788T26.3Very low27.7Very low118 Ų118139.6 Ų139.672%0.72471%0.71SS**  trans62.7112.3147.8500000124.3
789T26.4Very low27.5Very low120 Ų120141.7 Ų141.774%0.73672%0.719SS**  77.8123.6126.559.70000125.5
790K27.2Very low27.3Very low184 Ų184142.1 Ų142.180%0.872%0.721SS**  93.7125128.1-83.1178.8177.5-178.10123.4
791L27.9Very low27.1Very low142 Ų142143.1 Ų143.174%0.74373%0.729SS**  trans82119.3138.5-70.1163.4000122.5
792D26Very low27Very low157 Ų157142.4 Ų142.484%0.8474%0.737SS**  trans29133.6141.5-60-27.7000122.6
793G28Very low26.9Very low76 Ų76148.1 Ų148.178%0.78475%0.748SS**  trans-173.824.7176.800000120.7
794T28.4Very low27Very low128 Ų128150.6 Ų150.679%0.78576%0.756SS**  trans-1.2129.3165.6-41.30000119.8
795K29.6Very low27.3Very low182 Ų182152.9 Ų152.979%0.79177%0.769SS**  175120.6121.7-94.9167.9-177173.80118.5
796I26.2Very low27.4Very low134 Ų134151.7 Ų151.769%0.68778%0.784SS**  64.9121.6124.6-62174.2000121.4
797K28.8Very low27.4Very low214 Ų214152.5 Ų152.593%0.9379%0.794SS**  -139.1156.8114.8-107175.6-177.2177.40110.6
798K25.5Very low27.3Very low169 Ų169151.7 Ų151.774%0.73580%0.8SS**  trans-152.6143.2-161.1-142.3-172.4-170.9-173.20111.3
799I27.6Very low27.4Very low164 Ų164153.4 Ų153.484%0.84180%0.803SS**  trans176.5134.2165.5-104.1156.8000106.2
800L26.4Very low27.5Very low122 Ų122157 Ų15764%0.63981%0.809SS**  cis74.9125.7-1.7-89.670000116.8
801I26.1Very low27.4Very low148 Ų148157.5 Ų157.576%0.75981%0.814SS**  cis-152.3148.35.7-31.7165.7000110.2
802N27.4Very low27.5Very low168 Ų168156.1 Ų156.190%0.89882%0.816SS**  trans-164.3172.3135.6-115.8-17.4000115.8
803R26.5Very low27.6Very low223 Ų223158.7 Ų158.784%0.84281%0.814SS**  trans-157.6165-160.9-161.9-176.6-169.2-164.94.7111.9
804Q29.5Very low27.7Very low184 Ų184161.1 Ų161.186%0.8682%0.816SS**  trans76.2145.4-178.9-53.7171.8-48.600112.8
805E31.9Very low27.6Very low200 Ų200163.1 Ų163.194%0.93581%0.814SS**  cis-120.3172.51.7-60.7175.2130.800110
806G28Very low27.7Very low74 Ų74162.9 Ų162.976%0.76382%0.82SS**  cis-160.7178.3-0.800000110.4
807Q26.4Very low27.6Very low208 Ų208164.3 Ų164.397%0.97283%0.828SS**  trans-121.7140.7-175.1-67.8-178.2-5300112.8
808G24.3Very low27.5Very low71 Ų71165.7 Ų165.773%0.73283%0.828SS**  trans177.4152.1168.600000114.2
809I26.8Very low27.8Very low153 Ų153163.7 Ų163.779%0.78583%0.83SS**  trans59.889164.5-44.4172.5000116.1
810F29.4Very low27.9Very low196 Ų196161.8 Ų161.886%0.8683%0.828SS**  -172.279.2114.9-103-65.7000111
811Q25.1Very low28.2Very low194 Ų194163.8 Ų163.891%0.90784%0.839SS**  trans-112.6102.8161.9-76.9-169.40.300109.7
812S30.6Very low28.3Very low113 Ų113161.7 Ų161.779%0.7984%0.838SS**  trans-178.8137.9148.232.10000110.7
813R26.9Very low28.4Very low212 Ų212159.4 Ų159.480%0.884%0.835SS**  trans-118.5150.5158.2-67.7-174.5-179.1-150.35.4107.2
814P30.6Very low28.7Very low127 Ų127154.7 Ų154.783%0.82583%0.833SS**  trans-97.9141.213531.9-28.1000109.7
815K26.9Very low29.1Very low170 Ų170152.3 Ų152.374%0.73983%0.834SS**  trans-99.5137.9165-63.9177.9-177.9177.20107.7
816L29.8Very low29Very low176 Ų176146.4 Ų146.492%0.92183%0.827SS**  trans-118.2150.7163.7-76.7173.2000109.7
817L25.3Very low29.2Very low164 Ų164150.2 Ų150.286%0.85983%0.829SS**  trans-124.4116.1-161.7-147.185.7000111.7
818R27.1Very low29.5Very low244 Ų244150.3 Ų150.392%0.92183%0.827SS**  trans-150.2140.6157.6-66.7-173.4175.5168.7-2.2105.4
819T31Very low29.9Very low127 Ų127154.9 Ų154.978%0.77983%0.826SS**  cis-116168.111.539.20000113
820P29.8Very low30.2Very low124 Ų124155.9 Ų155.981%0.80583%0.825SS**  trans-81.1151.1166.934.7-33.9000111.1
821D32.8Very low30.3Very low164 Ų164151.5 Ų151.588%0.87782%0.819SS**  trans-139.7154.3165.9-141.6-28.7000110.6
822S27.4Very low30.6Very low103 Ų103149.5 Ų149.572%0.7281%0.81SS**  trans-101139.5-15664.70000115.2
823S30.1Very low30.6Very low120 Ų120149.9 Ų149.984%0.83980%0.803SS**  trans-156143.3161.7-79.10000111.2
824P33.1Very low30.9Very low124 Ų124145.9 Ų145.981%0.80580%0.798SS**  trans-101.1-177.4-160.745.7-40.7000112.5
825P36.8Very low30.9Very low135 Ų135146.5 Ų146.588%0.87779%0.794SS**  -111.9160.3-126.112.712.5000116
826G30.9Very low31.1Very low76 Ų76143.9 Ų143.978%0.78479%0.792SS**  trans-141.696.1-177.100000115.6
827N32.3Very low31.2Very low153 Ų153146.7 Ų146.782%0.81879%0.79SS**  trans-4.1134.1165-71.5-51.8000121
828K32.9Very low31.6Very low211 Ų211143.1 Ų143.192%0.91778%0.779SS**  trans-131.1118140.3-75.8-171177.3-179.40111.4
829K32.6Very low31.9Very low166 Ų166138.8 Ų138.872%0.72277%0.771SS**  trans-89166.8151.6-57.1179.1179.6-179.20106.9
830F31.8Very low32Very low174 Ų174138.2 Ų138.276%0.76376%0.764SS**  cis-131.2-179.113.5-89.5-95.9000108.5
831S32.8Very low32.3Very low105 Ų105138.8 Ų138.873%0.73476%0.76SS**  cis-155.3-176.626.3-152.20000114.6
832Q32.1Very low32.5Very low151 Ų151136.3 Ų136.371%0.70675%0.75SS**  trans-79.5178.9-179-61.4160.9-77.200111.4
833N30.6Very low32.9Very low121 Ų121137.3 Ų137.365%0.64775%0.748SS**  cis-167.7135.231.7-149.913.2000115.5
834N31.5Very low33.4Very low129 Ų129138.2 Ų138.269%0.6974%0.738SS**  trans47.4155141.7-69.55.4000127
835N31.5Very low33.6Very low140 Ų140139.7 Ų139.775%0.74973%0.734SS**  trans82.3140.5157.4-66.1-9.5000118.5
836T31.9Very low33.6Very low114 Ų114140.5 Ų140.570%0.69973%0.732SS**  cis-166164.60.114.50000112.3
837R31.9Very low34Very low235 Ų235143.6 Ų143.689%0.88773%0.73SS**  trans71.1152.5157.4-85.3-178.5169.9175-3.7118.1
838S32.4Very low34.2Very low89 Ų89142.7 Ų142.762%0.62273%0.725SS**  cis-168.3154.8-19.6-136.40000112.6
839M33.4Very low34.4Very low153 Ų153137 Ų13775%0.75471%0.712SS**  trans80133.5139-82.9168.284.900124
840N34.4Very low34.6Very low116 Ų116134.5 Ų134.562%0.6271%0.711SS**  trans70150.4151.8-61.134.3000118.2
841D35.1Very low34.7Very low135 Ų135130.9 Ų130.972%0.72271%0.707SS**  cis170.3163.1-14.5-81.4-28.1000102.6
842V36.9Very low34.8Very low113 Ų113136.3 Ų136.369%0.68571%0.711SS**  cis-161.5161.912.187.40000110.3
843D36.8Very low35Very low124 Ų124134.5 Ų134.566%0.66371%0.711SS**  trans59.3150.3160.8-59.2-13.4000121.1
844H39.7Very low35.1Very low138 Ų138136 Ų13664%0.63972%0.719SS**  cis-153.8158.3-4.4-118.4-54.1000111
845E37.9Very low35.1Very low155 Ų155133.8 Ų133.872%0.72472%0.718SS**  trans-0.3146.5152-67.1151.1-143.300121.2
846D37.4Very low35Very low153 Ų153137.7 Ų137.782%0.81872%0.722SS**  cis-155.6-133.8-25.6-132.9-68000110.1
847D38.3Very low35.1Very low140 Ų140140.7 Ų140.775%0.74973%0.728SS**  cis-161-164.47.7-163.9-1.9000110.5
848D35.9Very low35.2Very low134 Ų134135 Ų13572%0.71772%0.724SS**  trans-32.1127.6178.3-96.3-28.5000117.8
849S37Very low35.5Very low91 Ų91136 Ų13664%0.63673%0.728SS**  81.3152.55996.90000115
850T36.8Very low35.5Very low115 Ų115135.8 Ų135.871%0.70673%0.731SS**  cis-147.4155.618.141.30000114.2
851S35.1Very low35.4Very low97 Ų97135.6 Ų135.668%0.67874%0.738SS**  trans68.4155.5144.572.80000121.3
852R34.7Very low35.4Very low220 Ų220135.1 Ų135.183%0.8374%0.74SS**  cis-165.7133.6-15.4-103164.2-164.3168.14.4105.6
853T35.4Very low35.3Very low113 Ų113135.6 Ų135.669%0.69374%0.743SS**  51.113864.163.70000115.6
854N33.9Very low35.1Very low153 Ų153134.9 Ų134.982%0.81875%0.748SS**  cis-162.5152.7-16.5-122.2-18.3000111.7
855A31.2Very low34.8Very low81 Ų81133.8 Ų133.867%0.66976%0.756SS**  trans30.6120.7150.800000124.9
856R30.2Very low34.2Very low223 Ų223131.9 Ų131.984%0.84276%0.759SS**  trans86.2144.5130.6-72-177.1178.8-176.60.8124.2
857H33.9Very low34Very low177 Ų177130.8 Ų130.882%0.81976%0.759SS**  trans85.7139.7162.1-65.5-66.6000120.1
858S32.3Very low33.7Very low114 Ų114132.8 Ų132.880%0.79776%0.763SS**  trans-105.4174.5-169.6-31.70000111.6
859P40.3Very low33.4Very low110 Ų110136.8 Ų136.871%0.71477%0.77SS**  -153.9167.97041.8-21.3000119.7
860D31.6Very low33Very low150 Ų150142.1 Ų142.180%0.80278%0.781SS**  trans71.5148.1143-69.8-16000126.6
861S33.9Very low32.8Very low111 Ų111147.1 Ų147.178%0.77679%0.789SS**  trans75.1135172.780.50000116
862T34.6Very low32.4Very low126 Ų126150.1 Ų150.177%0.77380%0.797SS**  cis-153.2165.27.8-31.90000112.4
863V34.6Very low32.3Very low123 Ų123149.6 Ų149.675%0.74580%0.801SS**  trans80.899.8162.2-173.90000119
864S32.9Very low31.9Very low108 Ų108149 Ų14976%0.75580%0.802SS**  trans59.4150.9139.3-58.80000123
865S32.4Very low31.9Very low115 Ų115149.2 Ų149.280%0.80480%0.801SS**  cis-170137.6-31.2-98.90000108.6
866S26.9Very low31.9Very low115 Ų115148.8 Ų148.880%0.80480%0.804SS**  trans-86.1151.8-173.4-460000114.6
867T31.4Very low32Very low131 Ų131144.3 Ų144.380%0.80480%0.797SS**  -176.8125.9122.430.20000109.6
868H31.9Very low31.9Very low181 Ų181142.6 Ų142.684%0.83879%0.794SS**  67.999.979-115.6-56.1000115.2K870H868-K870 PolarHBondContact O-N 2.96Å
869Y30.6Very low31.9Very low218 Ų218143.7 Ų143.786%0.85579%0.791SS**  trans-78116.1168.3-87.4-90000111.3
870K29.1Very low31.5Very low203 Ų203146.1 Ų146.188%0.88380%0.797SS**  trans-154.7106.3157.3-119.6-173.7-179.9-176.20107.6H868H868-K870 PolarHBondContact O-N 2.96Å
871Y31.8Very low31.3Very low220 Ų220146.2 Ų146.286%0.86380%0.797SS**  trans-110.6106.1176.5-105.2-83.9000109.4
872D26.4Very low31.1Very low161 Ų161147.9 Ų147.986%0.86180%0.797SS**  trans-163.5106.8152-134.1-18.2000110.9
873K32.7Very low30.7Very low209 Ų209149.8 Ų149.891%0.90980%0.796SS**  trans-166.9139.6148.1-120.1178.9-178.4-176.40112.3
874S28Very low30.5Very low101 Ų101153.6 Ų153.671%0.70680%0.799SS**  trans-108.2168.8-179.151.40000112
875I32.7Very low30.3Very low156 Ų156153.1 Ų153.180%0.880%0.795SS**  trans148.1137.4138.4-76.8159.4000109.9
876G31.6Very low30.2Very low72 Ų72154.2 Ų154.274%0.74279%0.792SS**  trans161.473.6-173.400000109.8
877D31.9Very low30.5Very low130 Ų130157.5 Ų157.570%0.69580%0.801SS**  trans-68.9155.2-165.8-51.6-88.3000114.6
878N33.2Very low30.5Very low140 Ų140159.2 Ų159.275%0.74980%0.797SS**  -177.4116.5125.1-100.1-69.8000114.2
879N32Very low30.5Very low138 Ų138157.9 Ų157.974%0.73880%0.796SS**  trans67.6147.9144.1-62.6-40.8000124.2
880L31.3Very low30.6Very low161 Ų161156.8 Ų156.884%0.84380%0.796SS**  trans68.7111.4167.6-64.6146.7000115.7
881L28.5Very low30.7Very low151 Ų151155.4 Ų155.479%0.79179%0.792SS**  cis89.2140.633.7-162.6124.4000113.7
882L29.8Very low30.6Very low147 Ų147156 Ų15677%0.7779%0.793SS**  trans75.6125.1-161.8-58.9160.8000111.9
883Q24.9Very low30.7Very low165 Ų165156.8 Ų156.877%0.77180%0.796SS**  cis70.713513.1-109-171.41800117.2
884Y30.7Very low30.6Very low204 Ų204153 Ų15380%0.879%0.791SS**  trans88.9124.9173.7-78.5-81.5000121.9
885S28.9Very low30.7Very low97 Ų97157.6 Ų157.668%0.67880%0.798SS**  trans87.5115.3138-62.40000123
886D29.7Very low30.5Very low139 Ų139156.5 Ų156.574%0.74380%0.799SS**  42.3103.4127.9-67.3-5.6000120.2K888D886-K888 PolarHBondContact O-N 3.33Å; D886-K888 VanDerWaalsContact O-N 3.09Å
887N32.7Very low30.6Very low184 Ų184160 Ų16098%0.98480%0.801SS**  trans-78.687.7160.2-133.7-22.4000110
888K31.2Very low30.6Very low167 Ų167158.1 Ų158.173%0.72680%0.798SS**  trans-127.8127.4176.1-123.1176.4-172.2169.20112.2D886D886-K888 PolarHBondContact O-N 3.33Å; D886-K888 VanDerWaalsContact O-N 3.09Å
889N32.2Very low30.3Very low152 Ų152157.9 Ų157.981%0.81380%0.801SS**  trans59.2105.6163.4-60.4-14.8000118.5
890K33.4Very low30.3Very low196 Ų196161.1 Ų161.185%0.85281%0.809SS**SBendtrans-89128.1133.1-93.8-177.3176.2175.50109.3
891Q32Very low30.3Very low173 Ų173160.9 Ų160.981%0.80881%0.809SS**  trans56.695.6156.9-59.6173.5-2.600116.3
892R28.6Very low30.3Very low234 Ų234157.3 Ų157.388%0.88381%0.809SS**  45.388.482.8-81.2-170.2168.1-176.2-2.2114.6
893L28.3Very low30.4Very low176 Ų176157.2 Ų157.292%0.92181%0.809SS**  trans-135.5102.6134.5-113.3113.8000109.6
894T29.9Very low30.6Very low130 Ų130159.7 Ų159.780%0.79881%0.811SS**  trans-131.9109.4166.740.70000108.5
895K31Very low30.7Very low198 Ų198155 Ų15586%0.86181%0.808SS**  trans-115.9109.3165.1-90.8-171.8172.3-177.40107.9
896T29.5Very low30.9Very low132 Ų132157.1 Ų157.181%0.8181%0.811SS**  trans-108.786.3173.249.40000109.5
897N32.3Very low31.1Very low147 Ų147157.4 Ų157.479%0.78681%0.808SS**  trans-98.4108.3157.5-7727.3000105.3
898S31.9Very low30.8Very low90 Ų90157.8 Ų157.863%0.62980%0.801SS**  67.394.979.476.50000112.8
899T28.2Very low30.8Very low134 Ų134155.6 Ų155.682%0.82280%0.802SS**  trans38.7112.3141.5240000119.2
900F31.1Very low31Very low206 Ų206160 Ų16090%0.90482%0.817SS**  trans-147153.1134-128.7-87.4000112.1
901N30.7Very low30.9Very low156 Ų156158.2 Ų158.283%0.83482%0.816SS**  trans-80.7163.7175.8-64.7-44.4000111.3
902G30.2Very low30.8Very low77 Ų77157.4 Ų157.479%0.79482%0.816SS**  trans164.584.7157.500000119.1
903N30.9Very low30.9Very low145 Ų145153.2 Ų153.278%0.77581%0.812SS**  trans-18.3136.6153-82.4-37000120.1
904R29.7Very low31.1Very low217 Ų217151.8 Ų151.882%0.81981%0.806SS**  65.7143125.8-65179.1169.6-170.7-4.9122.3
905S31.6Very low31.2Very low104 Ų104153.2 Ų153.273%0.72781%0.806SS**  trans70.6154.1148.7-59.90000117.4
906L34.1Very low31.2Very low142 Ų142150.2 Ų150.274%0.74380%0.803SS**  cis-116.9146.2-9.5-83.996.6000108.5
907Q32.8Very low31.3Very low146 Ų146151.5 Ų151.568%0.68280%0.802SS**  63.311970.6-130-177-400113.8V909Q907-V909 HydrophobicContact CG-CG2 4.25Å
908F26.2Very low31.2Very low191 Ų191151.8 Ų151.884%0.83880%0.804SS**  trans-115.5128.6141.7-109-88.6000106.9
909V31.4Very low31.2Very low121 Ų121157 Ų15773%0.73382%0.818SS**  trans-132.8109.6161171.20000104.4Q907Q907-V909 HydrophobicContact CG-CG2 4.25Å
910E37.2Very low31.4Very low245 Ų245159.1 Ų159.1100%1.14582%0.818SS**  trans-150.50164.2-147.7165.3-143.500106.8

Retrieved 910 of 910 residues in 1081.3 ms (Link to these results)

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