A0A096NA44_PAPAN Loading...

Plastin 1

AlphaFold DB (F7EA87), UniProt , Accession A0A096NA44, Species PAPAN (Papio anubis, Olive baboon), Gene PLS1, Length 629 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
1M40.4Very low46.6Very low241 Ų241136.6 Ų136.6100%1.18772%0.72SS**  0100.60-79.4177.5176.600107.4
2E28.9Very low47.8Very low197 Ų197130.8 Ų130.892%0.92169%0.686SS**  trans-138.198.6155.6-87.1-176.3164.800105.3S4E2-S4 PolarHBondContact O-N 3.22Å
3N32.9Very low49.4Very low153 Ų153126.2 Ų126.282%0.81866%0.662SS**  trans-72.8103.2172-85.8-5.5000107.7T5N3-T5 PolarHBondContact O-N 3.25Å; N3-T5 VanDerWaalsContact O-N 3.12Å
4S31.6Very low50.7Low111 Ų111124.1 Ų124.178%0.77665%0.647SS**  trans-76.395.9163.4-160.10000107.8E2 T6E2-S4 PolarHBondContact O-N 3.22Å; S4-T6 PolarHBondContact O-N 3.29Å
5T36.8Very low51.7Low121 Ų121124.9 Ų124.974%0.74265%0.646SS**  trans-86.89417310.20000107.4N3 T7N3-T5 PolarHBondContact O-N 3.25Å; N3-T5 VanDerWaalsContact O-N 3.12Å; T5-T7 PolarHBondContact O-N 2.79Å
6T41.7Very low52.8Low88 Ų88118.6 Ų118.654%0.5461%0.613SS.*  trans-73.2101.916932.80000108.8S4 I8 Q81S4-T6 PolarHBondContact O-N 3.29Å; T6-I8 PolarHBondContact O-N 2.85Å; T6-I8 VanDerWaalsContact O-N 3.11Å; T6-Q81 PolarHBondContact OG1-OE1 2.68Å
7T50.8Low54.1Low139 Ų139115.4 Ų115.485%0.85360%0.595SS**  trans-64.6103.7174.638.60000110.9T5T5-T7 PolarHBondContact O-N 2.79Å
8I60.7Low54.9Low51 Ų51115.8 Ų115.826%0.26259%0.594SS.*  trans-76.6133.4168.6-50.2176.7000108T6 E12 L13 V77T6-I8 PolarHBondContact O-N 2.85Å; T6-I8 VanDerWaalsContact O-N 3.11Å; I8-E12 HydrophobicContact CG2-CB 3.91Å; I8-L13 HydrophobicContact CB-CD1 4.23Å; I8-L13 HydrophobicContact CD1-CD1 4.12Å; I8-L13 HydrophobicContact CG2-CB 3.93Å; I8-L13 HydrophobicContact CG2-CD1 4.14Å; I8-L13 HydrophobicContact CG2-CG 4.47Å; I8-V77 HydrophobicContact CD1-CG1 3.24Å
9S67.1Low55.6Low52 Ų52110.4 Ų110.436%0.36457%0.568SS.*  trans-70.9150.8171.164.70000110.8E11 E12 L13S9-E11 PolarHBondContact O-N 2.98Å; S9-E12 PolarHBondContact N-OE2 3.42Å; S9-E12 PolarHBondContact O-N 2.82Å; S9-E12 WeakPolarHBondContact OG-CB 3.15Å; S9-E12 VanDerWaalsContact OG-CG 3.24Å; S9-E12 WeakPolarHBondContact OG-CG 3.27Å; S9-E12 PolarHBondContact OG-N 3.21Å; S9-E12 PolarHBondContact OG-OE2 3.18Å; S9-L13 PolarHBondContact O-N 3.03Å
10R63Low56.6Low201 Ų201105 Ų10576%0.75854%0.54SS*.Hα-helixtrans-58.6-37.1-178.7-176.1175.9173.81672.4112.4L13 E14R10-L13 PolarHBondContact O-N 3.02Å; R10-E14 WeakPolarHBondContact CG-OE1 3.19Å; R10-E14 IonicContact CZ-OE1 3.95Å; R10-E14 IonicContact NE-OE1 3.96Å; R10-E14 PolarHBondContact NE-OE1 3.14Å; R10-E14 VanDerWaalsContact NE-OE1 3.09Å; R10-E14 IonicContact NH2-OE1 2.86Å; R10-E14 WeakPolarHBondContact O-CG 3.41Å; R10-E14 PolarHBondContact O-N 2.84Å
11E59.3Low57.4Low149 Ų149103.8 Ų103.870%0.69654%0.535SS*.Hα-helixtrans-66.9-44.4177.9-66.5170.1-177.600111.8S9 L13 E14 E15S9-E11 PolarHBondContact O-N 2.98Å; E11-L13 VanDerWaalsContact C-N 3.27Å; E11-L13 PolarHBondContact O-N 3.48Å; E11-E14 PolarHBondContact O-N 3.46Å; E11-E15 WeakPolarHBondContact O-CG 3.39Å; E11-E15 PolarHBondContact O-N 3.34Å
12E60.7Low58.7Low67 Ų6796.1 Ų96.131%0.31350%0.495SS..Hα-helixtrans-65-31.5175.2-76.7177125.500112.6I8 S9 L16 K84I8-E12 HydrophobicContact CG2-CB 3.91Å; S9-E12 PolarHBondContact N-OE2 3.42Å; S9-E12 PolarHBondContact O-N 2.82Å; S9-E12 WeakPolarHBondContact OG-CB 3.15Å; S9-E12 VanDerWaalsContact OG-CG 3.24Å; S9-E12 WeakPolarHBondContact OG-CG 3.27Å; S9-E12 PolarHBondContact OG-N 3.21Å; S9-E12 PolarHBondContact OG-OE2 3.18Å; E12-L16 WeakPolarHBondContact O-CB 3.43Å; E12-L16 WeakPolarHBondContact O-CG 3.35Å; E12-L16 PolarHBondContact O-N 2.56Å; E12-K84 IonicContact OE1-NZ 3.41Å; E12-K84 PolarHBondContact OE1-NZ 3.07Å
13L68.4Low60.8Low71 Ų7186.8 Ų86.837%0.37245%0.451SS..Hα-helixtrans-73.4-37178.2-157.4139.2000111.3I8 S9 R10 E11 L16 Q17 F73I8-L13 HydrophobicContact CB-CD1 4.23Å; I8-L13 HydrophobicContact CD1-CD1 4.12Å; I8-L13 HydrophobicContact CG2-CB 3.93Å; I8-L13 HydrophobicContact CG2-CD1 4.14Å; I8-L13 HydrophobicContact CG2-CG 4.47Å; S9-L13 PolarHBondContact O-N 3.03Å; R10-L13 PolarHBondContact O-N 3.02Å; E11-L13 VanDerWaalsContact C-N 3.27Å; E11-L13 PolarHBondContact O-N 3.48Å; L13-L16 PolarHBondContact O-N 2.95Å; L13-Q17 WeakPolarHBondContact O-CB 3.43Å; L13-Q17 PolarHBondContact O-N 3.34Å; L13-F73 HydrophobicContact CD2-CE1 4.39Å; L13-F73 HydrophobicContact CD2-CZ 4.46Å
14E67.6Low62.8Low97 Ų9779.8 Ų79.845%0.45341%0.414SS..Hα-helixtrans-66-43.1172.9-73.6169.8-17200111.1R10 E11 L16 Q17 E18R10-E14 WeakPolarHBondContact CG-OE1 3.19Å; R10-E14 IonicContact CZ-OE1 3.95Å; R10-E14 IonicContact NE-OE1 3.96Å; R10-E14 PolarHBondContact NE-OE1 3.14Å; R10-E14 VanDerWaalsContact NE-OE1 3.09Å; R10-E14 IonicContact NH2-OE1 2.86Å; R10-E14 WeakPolarHBondContact O-CG 3.41Å; R10-E14 PolarHBondContact O-N 2.84Å; E11-E14 PolarHBondContact O-N 3.46Å; E14-L16 PolarHBondContact O-N 2.74Å; E14-Q17 WeakPolarHBondContact O-CB 3.25Å; E14-Q17 PolarHBondContact O-N 2.97Å; E14-E18 PolarHBondContact O-N 2.63Å
15E65.8Low64.4Low136 Ų13676.8 Ų76.864%0.63639%0.388SS*.Hα-helixtrans-62.1-41.1173.9-74-177.7179.300113E11 Q17 E18 A19E11-E15 WeakPolarHBondContact O-CG 3.39Å; E11-E15 PolarHBondContact O-N 3.34Å; E15-Q17 VanDerWaalsContact C-N 3.34Å; E15-E18 PolarHBondContact O-N 3.3Å; E15-A19 WeakPolarHBondContact O-CB 3.34Å; E15-A19 PolarHBondContact O-N 3.22Å
16L69Low65.9Low23 Ų2376 Ų7612%0.1238%0.38CS..Hα-helixtrans-68.7-34.4177.1-73.7171.7000111.8E12 L13 E14 A19 F20 F76 V77 M80E12-L16 WeakPolarHBondContact O-CB 3.43Å; E12-L16 WeakPolarHBondContact O-CG 3.35Å; E12-L16 PolarHBondContact O-N 2.56Å; L13-L16 PolarHBondContact O-N 2.95Å; E14-L16 PolarHBondContact O-N 2.74Å; L16-A19 PolarHBondContact O-N 2.92Å; L16-F20 WeakPolarHBondContact O-CB 3.35Å; L16-F20 PolarHBondContact O-N 2.98Å; L16-F76 HydrophobicContact CD2-CE1 4.33Å; L16-V77 HydrophobicContact CB-CG2 4.48Å; L16-V77 HydrophobicContact CD1-CG1 4.47Å; L16-V77 HydrophobicContact CD1-CG2 4.37Å; L16-M80 HydrophobicContact CD2-CB 3.8Å; L16-M80 HydrophobicContact CD2-CE 3.88Å; L16-M80 HydrophobicContact CD2-CG 3.84Å
17Q74.7Confident67.4Low65 Ų6578 Ų7830%0.30439%0.387SS..Hα-helixtrans-66.2-43.5173.6-171.869.96600111.4L13 E14 E15 A19 F20 N21 F73L13-Q17 WeakPolarHBondContact O-CB 3.43Å; L13-Q17 PolarHBondContact O-N 3.34Å; E14-Q17 WeakPolarHBondContact O-CB 3.25Å; E14-Q17 PolarHBondContact O-N 2.97Å; E15-Q17 VanDerWaalsContact C-N 3.34Å; Q17-A19 VanDerWaalsContact C-N 3.34Å; Q17-A19 PolarHBondContact O-N 3.46Å; Q17-F20 PolarHBondContact O-N 3.45Å; Q17-N21 PolarHBondContact NE2-OD1 3.29Å; Q17-N21 WeakPolarHBondContact O-CB 3.49Å; Q17-N21 PolarHBondContact O-N 3.43Å; Q17-N21 PolarHBondContact O-ND2 3.08Å; Q17-N21 PolarHBondContact O-OD1 3.31Å; Q17-F73 HydrophobicContact CB-CE2 4.03Å; Q17-F73 HydrophobicContact CB-CZ 3.89Å; Q17-F73 HydrophobicContact CG-CE2 4.49Å; Q17-F73 HydrophobicContact CG-CZ 4.41Å
18E69.5Low68.5Low122 Ų12273.7 Ų73.757%0.5736%0.363SS*.Hα-helixtrans-63-41.1174.7-74-173.8179.800112E14 E15 K22E14-E18 PolarHBondContact O-N 2.63Å; E15-E18 PolarHBondContact O-N 3.3Å; E18-K22 WeakPolarHBondContact O-CB 3.41Å; E18-K22 VanDerWaalsContact O-CG 3.23Å; E18-K22 WeakPolarHBondContact O-CG 3.35Å; E18-K22 PolarHBondContact O-N 3.03Å
19A67.8Low69.3Low13 Ų1373 Ų7311%0.10737%0.368CS..Hα-helixtrans-64.5-40.2175.300000112.2E15 L16 Q17 K22 I23 F76 I96E15-A19 WeakPolarHBondContact O-CB 3.34Å; E15-A19 PolarHBondContact O-N 3.22Å; L16-A19 PolarHBondContact O-N 2.92Å; Q17-A19 VanDerWaalsContact C-N 3.34Å; Q17-A19 PolarHBondContact O-N 3.46Å; A19-K22 WeakPolarHBondContact O-CB 3.5Å; A19-K22 PolarHBondContact O-N 3.29Å; A19-I23 VanDerWaalsContact O-CG1 3.3Å; A19-I23 WeakPolarHBondContact O-CG1 3.43Å; A19-I23 PolarHBondContact O-N 3.36Å; A19-F76 HydrophobicContact CB-CE1 4.43Å; A19-F76 HydrophobicContact CB-CZ 4.46Å; A19-I96 HydrophobicContact CB-CD1 4.36Å; A19-I96 HydrophobicContact CB-CG2 4.1Å
20F75.3Confident69.9Low3 Ų375.5 Ų75.51%0.01337%0.37CS..Hα-helixtrans-64.1-48.3176.2-174.9-93.9000111.3L16 Q17 K22 I23 D24 G29 V31 F73 F76L16-F20 WeakPolarHBondContact O-CB 3.35Å; L16-F20 PolarHBondContact O-N 2.98Å; Q17-F20 PolarHBondContact O-N 3.45Å; F20-K22 PolarHBondContact O-N 3.08Å; F20-I23 PolarHBondContact O-N 2.72Å; F20-D24 HydrophobicContact CD1-CB 4.37Å; F20-D24 HydrophobicContact CE1-CB 4.16Å; F20-D24 PolarHBondContact O-N 3.32Å; F20-G29 WeakPolarHBondContact CZ-O 3.36Å; F20-V31 HydrophobicContact CD2-CG2 3.9Å; F20-V31 HydrophobicContact CE2-CB 4.32Å; F20-V31 HydrophobicContact CE2-CG2 3.57Å; F20-V31 HydrophobicContact CZ-CG2 3.95Å; F20-F73 HydrophobicContact CB-CD2 3.73Å; F20-F73 HydrophobicContact CB-CE2 4Å; F20-F73 HydrophobicContact CD1-CB 4.38Å; F20-F73 AromaticContact CD1-CD2 3.98Å; F20-F73 HydrophobicContact CD1-CD2 3.98Å; F20-F73 HydrophobicContact CD2-CB 4.46Å; F20-F73 AromaticContact CD2-CD2 3.91Å; F20-F73 HydrophobicContact CD2-CD2 3.91Å; F20-F73 HydrophobicContact CE1-CB 4.15Å; F20-F73 HydrophobicContact CE2-CB 4.21Å; F20-F73 HydrophobicContact CE2-CD2 4.49Å; F20-F73 AromaticContact CG-CD2 3.6Å; F20-F73 HydrophobicContact CG-CD2 3.6Å; F20-F73 HydrophobicContact CG-CE2 4.37Å; F20-F73 HydrophobicContact CZ-CB 4.05Å; F20-F76 HydrophobicContact CB-CD1 4.01Å; F20-F76 HydrophobicContact CB-CE1 4.03Å; F20-F76 HydrophobicContact CD2-CB 3.64Å; F20-F76 AromaticContact CD2-CD1 3.73Å; F20-F76 HydrophobicContact CD2-CD1 3.73Å; F20-F76 HydrophobicContact CD2-CD2 4.13Å; F20-F76 HydrophobicContact CD2-CE1 4.37Å; F20-F76 AromaticContact CD2-CG 3.58Å; F20-F76 HydrophobicContact CD2-CG 3.58Å; F20-F76 HydrophobicContact CE2-CB 3.86Å; F20-F76 HydrophobicContact CE2-CG 4.25Å; F20-F76 HydrophobicContact CG-CD1 4.36Å
21N74.4Confident70.6Confident80 Ų8066 Ų6643%0.42833%0.334SS..Hα-helixtrans-64.3-23.2177.7-63.3-4.3000112.6Q17 I23Q17-N21 PolarHBondContact NE2-OD1 3.29Å; Q17-N21 WeakPolarHBondContact O-CB 3.49Å; Q17-N21 PolarHBondContact O-N 3.43Å; Q17-N21 PolarHBondContact O-ND2 3.08Å; Q17-N21 PolarHBondContact O-OD1 3.31Å; N21-I23 VanDerWaalsContact C-N 3.31Å
22K67.7Low71.4Confident80 Ų8060 Ų6035%0.34831%0.309SS..THydrogen-bonded Turntrans-75.3-18171.8-77.5170.1-174.4175.90113E18 A19 F20 I96 R99E18-K22 WeakPolarHBondContact O-CB 3.41Å; E18-K22 VanDerWaalsContact O-CG 3.23Å; E18-K22 WeakPolarHBondContact O-CG 3.35Å; E18-K22 PolarHBondContact O-N 3.03Å; A19-K22 WeakPolarHBondContact O-CB 3.5Å; A19-K22 PolarHBondContact O-N 3.29Å; F20-K22 PolarHBondContact O-N 3.08Å; K22-I96 HydrophobicContact CD-CG2 4.15Å; K22-R99 PolarHBondContact O-NH1 2.99Å
23I71.8Confident71.8Confident1 Ų160.6 Ų60.61%0.00531%0.314CS..THydrogen-bonded Turntrans-104.2-36.6-178.2-56.9168.5000110.5A19 F20 N21 I25 V31 E35 L36 L39 F76 F92 I96A19-I23 VanDerWaalsContact O-CG1 3.3Å; A19-I23 WeakPolarHBondContact O-CG1 3.43Å; A19-I23 PolarHBondContact O-N 3.36Å; F20-I23 PolarHBondContact O-N 2.72Å; N21-I23 VanDerWaalsContact C-N 3.31Å; I23-I25 VanDerWaalsContact C-N 3.32Å; I23-I25 WeakPolarHBondContact O-CG1 3.41Å; I23-I25 PolarHBondContact O-N 2.92Å; I23-V31 HydrophobicContact CB-CG2 4.04Å; I23-V31 HydrophobicContact CG2-CB 4.37Å; I23-V31 HydrophobicContact CG2-CG1 3.53Å; I23-V31 HydrophobicContact CG2-CG2 3.86Å; I23-E35 HydrophobicContact CG2-CB 4.49Å; I23-E35 WeakPolarHBondContact O-CB 3.42Å; I23-L36 HydrophobicContact CG2-CD2 4.11Å; I23-L39 HydrophobicContact CD1-CD2 3.87Å; I23-L39 HydrophobicContact CG1-CD1 4.41Å; I23-L39 HydrophobicContact CG1-CD2 3.83Å; I23-L39 HydrophobicContact CG2-CD2 4.31Å; I23-F76 HydrophobicContact CD1-CE2 3.83Å; I23-F76 HydrophobicContact CD1-CZ 3.95Å; I23-F92 HydrophobicContact CD1-CE1 4.35Å; I23-F92 HydrophobicContact CD1-CZ 3.91Å; I23-I96 HydrophobicContact CD1-CD1 3.86Å; I23-I96 HydrophobicContact CD1-CG1 4.13Å
24D75.8Confident71.7Confident6 Ų662 Ų623%0.03232%0.316CS..  trans-72.183.3171.4-179.96.4000109.6F20 N27 S28 G29 V31F20-D24 HydrophobicContact CD1-CB 4.37Å; F20-D24 HydrophobicContact CE1-CB 4.16Å; F20-D24 PolarHBondContact O-N 3.32Å; D24-N27 VanDerWaalsContact OD1-CA 3.24Å; D24-N27 WeakPolarHBondContact OD1-CA 3.42Å; D24-N27 PolarHBondContact OD1-N 3.05Å; D24-S28 PolarHBondContact OD1-N 3.48Å; D24-G29 WeakPolarHBondContact OD2-CA 3.14Å; D24-G29 PolarHBondContact OD2-N 3.44Å; D24-V31 HydrophobicContact CB-CG2 4.16Å
25I64.9Low72.1Confident47 Ų4757.8 Ų57.824%0.24130%0.296CS..SBendtrans-74.6-33.1-171.4-67.7163.4000110.2I23 N27 E35I23-I25 VanDerWaalsContact C-N 3.32Å; I23-I25 WeakPolarHBondContact O-CG1 3.41Å; I23-I25 PolarHBondContact O-N 2.92Å; I25-N27 VanDerWaalsContact C-N 3.33Å; I25-E35 HydrophobicContact CD1-CG 4.39Å; I25-E35 PolarHBondContact N-OE1 3.46Å
26D68.4Low72.2Confident106 Ų10651.4 Ų51.457%0.56727%0.266SS*.SBendtrans-87-1.418073.6-2.6000113.7S28 E35D26-S28 PolarHBondContact O-N 2.82Å; D26-S28 WeakPolarHBondContact OD1-CB 3.31Å; D26-S28 PolarHBondContact OD1-N 3.2Å; D26-S28 PolarHBondContact OD1-OG 3.11Å; D26-E35 PolarHBondContact N-OE1 3.26Å
27N72.3Confident72.1Confident129 Ų12952 Ų5269%0.6927%0.268SS*.  trans53.434.1-174.2-62-88.2000112.3D24 I25 G29D24-N27 VanDerWaalsContact OD1-CA 3.24Å; D24-N27 WeakPolarHBondContact OD1-CA 3.42Å; D24-N27 PolarHBondContact OD1-N 3.05Å; I25-N27 VanDerWaalsContact C-N 3.33Å; N27-G29 PolarHBondContact O-N 3.23Å
28S74.6Confident71.7Confident49 Ų4950 Ų5034%0.34326%0.26SS..SBendtrans-73-12.3178.963.40000112.8D24 D26 Y30D24-S28 PolarHBondContact OD1-N 3.48Å; D26-S28 PolarHBondContact O-N 2.82Å; D26-S28 WeakPolarHBondContact OD1-CB 3.31Å; D26-S28 PolarHBondContact OD1-N 3.2Å; D26-S28 PolarHBondContact OD1-OG 3.11Å; S28-Y30 VanDerWaalsContact C-N 3.28Å; S28-Y30 VanDerWaalsContact O-CD2 3.31Å; S28-Y30 WeakPolarHBondContact O-CD2 3.45Å; S28-Y30 PolarHBondContact OG-N 3.33Å; S28-Y30 PolarHBondContact OG-O 3.09Å; S28-Y30 VanDerWaalsContact OG-O 3.06Å
29G76.6Confident71.5Confident36 Ų3644.4 Ų44.437%0.37123%0.234SC..SBendtrans82.86.4-172.200000113F20 D24 N27F20-G29 WeakPolarHBondContact CZ-O 3.36Å; D24-G29 WeakPolarHBondContact OD2-CA 3.14Å; D24-G29 PolarHBondContact OD2-N 3.44Å; N27-G29 PolarHBondContact O-N 3.23Å
30Y80.1Confident71.3Confident104 Ų10444.2 Ų44.241%0.40823%0.23SC..EExtended strand (participates in β ladder)trans-139.7144.2-178-60.2-88000109.8S28 I71S28-Y30 VanDerWaalsContact C-N 3.28Å; S28-Y30 VanDerWaalsContact O-CD2 3.31Å; S28-Y30 WeakPolarHBondContact O-CD2 3.45Å; S28-Y30 PolarHBondContact OG-N 3.33Å; S28-Y30 PolarHBondContact OG-O 3.09Å; S28-Y30 VanDerWaalsContact OG-O 3.06Å; Y30-I71 WeakPolarHBondContact CA-O 3.13Å
31V78Confident70.5Confident1 Ų149.9 Ų49.91%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-98.9120.6173.7169.30000109.7F20 I23 D24 L36 I71F20-V31 HydrophobicContact CD2-CG2 3.9Å; F20-V31 HydrophobicContact CE2-CB 4.32Å; F20-V31 HydrophobicContact CE2-CG2 3.57Å; F20-V31 HydrophobicContact CZ-CG2 3.95Å; I23-V31 HydrophobicContact CB-CG2 4.04Å; I23-V31 HydrophobicContact CG2-CB 4.37Å; I23-V31 HydrophobicContact CG2-CG1 3.53Å; I23-V31 HydrophobicContact CG2-CG2 3.86Å; D24-V31 HydrophobicContact CB-CG2 4.16Å; V31-L36 HydrophobicContact CG1-CD1 4.16Å; V31-L36 HydrophobicContact CG1-CD2 3.93Å; V31-L36 HydrophobicContact CG1-CG 3.63Å; V31-I71 HydrophobicContact CB-CB 4.29Å; V31-I71 PolarHBondContact N-O 3.27Å; V31-I71 PolarHBondContact O-N 2.85Å
32S76.1Confident69.6Low24 Ų2448.4 Ų48.417%0.16825%0.246CC..EExtended strand (participates in β ladder)trans-88.2164.8178.364.30000113.4Y34 E35 L36S32-Y34 PolarHBondContact O-N 3.3Å; S32-E35 WeakPolarHBondContact CB-OE2 3.28Å; S32-E35 PolarHBondContact N-OE2 3.46Å; S32-E35 PolarHBondContact O-N 3.26Å; S32-E35 VanDerWaalsContact OG-CG 3.32Å; S32-E35 WeakPolarHBondContact OG-CG 3.27Å; S32-E35 PolarHBondContact OG-N 2.89Å; S32-E35 PolarHBondContact OG-OE2 3.34Å; S32-L36 PolarHBondContact O-N 3.42Å; S32-L36 VanDerWaalsContact O-N 3.16Å
33D68.8Low68.9Low79 Ų7945 Ų4542%0.42223%0.232SC..Hα-helixtrans-59.9-34.8174.171.1-39000112.9Q37 V56 I60D33-Q37 VanDerWaalsContact O-CG 3.26Å; D33-Q37 WeakPolarHBondContact O-CG 3.48Å; D33-Q37 PolarHBondContact O-N 2.83Å; D33-V56 HydrophobicContact CB-CG1 4.36Å; D33-I60 HydrophobicContact CB-CD1 3.35Å
34Y67.6Low67.7Low101 Ų10149.3 Ų49.340%0.39626%0.263SS..Hα-helixtrans-65.8-46.8175.7-177.6-93.2000111.9S32 L36 Q37 D38 T116S32-Y34 PolarHBondContact O-N 3.3Å; Y34-L36 VanDerWaalsContact C-N 3.34Å; Y34-L36 PolarHBondContact O-N 3.45Å; Y34-Q37 WeakPolarHBondContact O-CB 3.4Å; Y34-Q37 PolarHBondContact O-N 3Å; Y34-Q37 VanDerWaalsContact O-N 3.14Å; Y34-D38 WeakPolarHBondContact CE1-OD2 3.31Å; Y34-D38 PolarHBondContact O-N 3.02Å; Y34-D38 PolarHBondContact OH-OD2 3.29Å; Y34-T116 PolarHBondContact OH-OG1 3.03Å
35E74.8Confident66.4Low8 Ų852.1 Ų52.14%0.03728%0.278CS..Hα-helixtrans-66-36.7-179.7-72.6166.7129.300112.4I23 I25 D26 S32 D38 L39I23-E35 HydrophobicContact CG2-CB 4.49Å; I23-E35 WeakPolarHBondContact O-CB 3.42Å; I25-E35 HydrophobicContact CD1-CG 4.39Å; I25-E35 PolarHBondContact N-OE1 3.46Å; D26-E35 PolarHBondContact N-OE1 3.26Å; S32-E35 WeakPolarHBondContact CB-OE2 3.28Å; S32-E35 PolarHBondContact N-OE2 3.46Å; S32-E35 PolarHBondContact O-N 3.26Å; S32-E35 VanDerWaalsContact OG-CG 3.32Å; S32-E35 WeakPolarHBondContact OG-CG 3.27Å; S32-E35 PolarHBondContact OG-N 2.89Å; S32-E35 PolarHBondContact OG-OE2 3.34Å; E35-D38 PolarHBondContact O-N 3.2Å; E35-L39 WeakPolarHBondContact O-CB 3.42Å; E35-L39 PolarHBondContact O-N 2.65Å
36L68.3Low65.5Low2 Ų256 Ų561%0.0131%0.306CS..Hα-helixtrans-64.5-45.2170.5-73.2172.4000111.5I23 V31 S32 Y34 D38 L39 F40 V56 I59 I60 I71 F92I23-L36 HydrophobicContact CG2-CD2 4.11Å; V31-L36 HydrophobicContact CG1-CD1 4.16Å; V31-L36 HydrophobicContact CG1-CD2 3.93Å; V31-L36 HydrophobicContact CG1-CG 3.63Å; S32-L36 PolarHBondContact O-N 3.42Å; S32-L36 VanDerWaalsContact O-N 3.16Å; Y34-L36 VanDerWaalsContact C-N 3.34Å; Y34-L36 PolarHBondContact O-N 3.45Å; L36-D38 VanDerWaalsContact C-N 3.29Å; L36-D38 PolarHBondContact O-N 2.69Å; L36-L39 WeakPolarHBondContact O-CB 3.4Å; L36-L39 PolarHBondContact O-N 2.95Å; L36-F40 WeakPolarHBondContact O-CD2 3.47Å; L36-F40 PolarHBondContact O-N 3.15Å; L36-V56 HydrophobicContact CB-CG1 4.12Å; L36-V56 HydrophobicContact CB-CG2 4.05Å; L36-V56 HydrophobicContact CD1-CG1 4.42Å; L36-I59 HydrophobicContact CD1-CG2 4.02Å; L36-I60 HydrophobicContact CD1-CG1 4.33Å; L36-I71 HydrophobicContact CD1-CD1 3.79Å; L36-F92 HydrophobicContact CD2-CE2 3.91Å; L36-F92 HydrophobicContact CD2-CZ 3.92Å
37Q66.3Low64.5Low36 Ų3653.8 Ų53.817%0.16829%0.293CS..Hα-helixtrans-59.8-41.4177.1-77175.94300111.9D33 Y34 F40 K41 V56D33-Q37 VanDerWaalsContact O-CG 3.26Å; D33-Q37 WeakPolarHBondContact O-CG 3.48Å; D33-Q37 PolarHBondContact O-N 2.83Å; Y34-Q37 WeakPolarHBondContact O-CB 3.4Å; Y34-Q37 PolarHBondContact O-N 3Å; Y34-Q37 VanDerWaalsContact O-N 3.14Å; Q37-F40 PolarHBondContact O-N 2.65Å; Q37-K41 VanDerWaalsContact O-CG 3.31Å; Q37-K41 WeakPolarHBondContact O-CG 3.44Å; Q37-K41 PolarHBondContact O-N 3.18Å; Q37-V56 HydrophobicContact CG-CB 4.34Å; Q37-V56 HydrophobicContact CG-CG1 4.22Å; Q37-V56 HydrophobicContact CG-CG2 3.93Å
38D66.8Low63.5Low23 Ų2350.5 Ų50.512%0.12328%0.279CS..Hα-helixtrans-70.7-38.3179.5-83.56.3000111.9Y34 E35 L36 F40 K41 E42Y34-D38 WeakPolarHBondContact CE1-OD2 3.31Å; Y34-D38 PolarHBondContact O-N 3.02Å; Y34-D38 PolarHBondContact OH-OD2 3.29Å; E35-D38 PolarHBondContact O-N 3.2Å; L36-D38 VanDerWaalsContact C-N 3.29Å; L36-D38 PolarHBondContact O-N 2.69Å; D38-F40 VanDerWaalsContact C-N 3.32Å; D38-F40 PolarHBondContact O-N 3.23Å; D38-K41 PolarHBondContact O-N 2.98Å; D38-K41 IonicContact OD1-NZ 3.76Å; D38-K41 PolarHBondContact OD1-NZ 3.32Å; D38-E42 VanDerWaalsContact O-CB 3.28Å; D38-E42 WeakPolarHBondContact O-CB 3.1Å; D38-E42 PolarHBondContact O-N 2.9Å
39L66.1Low62.5Low5 Ų550.6 Ų50.63%0.02629%0.288CS..Hα-helixtrans-55.7-45.1169.2179.273.4000112I23 E35 L36 E42 A43 F92 I95 I96I23-L39 HydrophobicContact CD1-CD2 3.87Å; I23-L39 HydrophobicContact CG1-CD1 4.41Å; I23-L39 HydrophobicContact CG1-CD2 3.83Å; I23-L39 HydrophobicContact CG2-CD2 4.31Å; E35-L39 WeakPolarHBondContact O-CB 3.42Å; E35-L39 PolarHBondContact O-N 2.65Å; L36-L39 WeakPolarHBondContact O-CB 3.4Å; L36-L39 PolarHBondContact O-N 2.95Å; L39-E42 PolarHBondContact O-N 3.45Å; L39-A43 WeakPolarHBondContact O-CB 3.34Å; L39-A43 PolarHBondContact O-N 2.91Å; L39-F92 HydrophobicContact CD2-CE2 3.9Å; L39-F92 HydrophobicContact CD2-CZ 4.25Å; L39-I95 HydrophobicContact CD1-CG2 3.92Å; L39-I95 HydrophobicContact CD2-CG2 4.08Å; L39-I95 HydrophobicContact CG-CG2 3.6Å; L39-I96 HydrophobicContact CD2-CG1 4.24Å
40F62.1Low61.9Low8 Ų855 Ų554%0.03529%0.294CS..Hα-helixtrans-70.5-31.8179.2-84.2-77.3000113.4L36 Q37 D38 V52 I55 V56 I59 F92 I95L36-F40 WeakPolarHBondContact O-CD2 3.47Å; L36-F40 PolarHBondContact O-N 3.15Å; Q37-F40 PolarHBondContact O-N 2.65Å; D38-F40 VanDerWaalsContact C-N 3.32Å; D38-F40 PolarHBondContact O-N 3.23Å; F40-V52 HydrophobicContact CB-CG1 3.61Å; F40-V52 HydrophobicContact CG-CG1 4.24Å; F40-I55 HydrophobicContact CE1-CG2 4.01Å; F40-I55 HydrophobicContact CE2-CG2 4.1Å; F40-I55 HydrophobicContact CZ-CG2 3.59Å; F40-V56 HydrophobicContact CD2-CG2 3.89Å; F40-V56 HydrophobicContact CE2-CG2 4.17Å; F40-I59 HydrophobicContact CE2-CD1 3.87Å; F40-I59 HydrophobicContact CZ-CD1 3.91Å; F40-F92 HydrophobicContact CE2-CD2 4.06Å; F40-F92 HydrophobicContact CE2-CE2 4.03Å; F40-F92 AromaticContact CZ-CD2 3.67Å; F40-F92 HydrophobicContact CZ-CD2 3.67Å; F40-F92 HydrophobicContact CZ-CE2 4.13Å; F40-I95 HydrophobicContact CD1-CD1 3.47Å; F40-I95 VanDerWaalsContact CD1-CD1 3.47Å; F40-I95 HydrophobicContact CE1-CD1 3.31Å; F40-I95 HydrophobicContact CZ-CD1 4.24Å
41K60.2Low60.8Low122 Ų12254.2 Ų54.253%0.5329%0.293SS..Hα-helixtrans-70.6-43.9173.3-71.6172.5-156.6152.70111.3Q37 D38 A43 S44Q37-K41 VanDerWaalsContact O-CG 3.31Å; Q37-K41 WeakPolarHBondContact O-CG 3.44Å; Q37-K41 PolarHBondContact O-N 3.18Å; D38-K41 PolarHBondContact O-N 2.98Å; D38-K41 IonicContact OD1-NZ 3.76Å; D38-K41 PolarHBondContact OD1-NZ 3.32Å; K41-A43 VanDerWaalsContact C-N 3.33Å; K41-A43 PolarHBondContact O-N 3.17Å; K41-S44 PolarHBondContact O-N 3.3Å
42E55.4Low60Low49 Ų4954.7 Ų54.723%0.22930%0.296CS..Hα-helixtrans-70.3-29.2-174.7-164.4163.2-144.100112.1D38 L39 S44 R99 I102 S119D38-E42 VanDerWaalsContact O-CB 3.28Å; D38-E42 WeakPolarHBondContact O-CB 3.1Å; D38-E42 PolarHBondContact O-N 2.9Å; L39-E42 PolarHBondContact O-N 3.45Å; E42-S44 PolarHBondContact O-N 2.84Å; E42-R99 IonicContact OE2-CZ 2.63Å; E42-R99 VanDerWaalsContact OE2-CZ 3.25Å; E42-R99 IonicContact OE2-NE 2.8Å; E42-R99 PolarHBondContact OE2-NE 2.86Å; E42-R99 IonicContact OE2-NH2 3.65Å; E42-R99 PolarHBondContact OE2-NH2 2.84Å; E42-I102 HydrophobicContact CG-CD1 3.91Å; E42-S119 PolarHBondContact OE1-OG 2.89Å; E42-S119 VanDerWaalsContact OE1-OG 3.1Å
43A51.3Low59.4Low8 Ų860.6 Ų60.67%0.06632%0.315CS..THydrogen-bonded Turntrans-70.91179.300000116.3L39 K41 L45 I95 K98L39-A43 WeakPolarHBondContact O-CB 3.34Å; L39-A43 PolarHBondContact O-N 2.91Å; K41-A43 VanDerWaalsContact C-N 3.33Å; K41-A43 PolarHBondContact O-N 3.17Å; A43-L45 PolarHBondContact O-N 3.31Å; A43-I95 HydrophobicContact CB-CB 3.82Å; A43-I95 HydrophobicContact CB-CG1 3.64Å; A43-I95 HydrophobicContact CB-CG2 3.4Å; A43-I95 VanDerWaalsContact CB-CG2 3.4Å; A43-K98 WeakPolarHBondContact O-CD 3.31Å; A43-K98 PolarHBondContact O-NZ 3Å
44S47.7Very low59.2Low93 Ų9361.1 Ų61.165%0.6532%0.315SS*.THydrogen-bonded Turntrans53.953.2176.3-58.70000113K41 E42K41-S44 PolarHBondContact O-N 3.3Å; E42-S44 PolarHBondContact O-N 2.84Å
45L48.5Very low59Low65 Ų6558.7 Ų58.734%0.3431%0.308SS..  trans-98.4135.5167.1-70.2173.8000109.5A43 L47 T91 I95A43-L45 PolarHBondContact O-N 3.31Å; L45-L47 HydrophobicContact CB-CD1 4.18Å; L45-L47 HydrophobicContact CB-CG 4.18Å; L45-L47 HydrophobicContact CD1-CD1 4.32Å; L45-L47 PolarHBondContact O-N 2.93Å; L45-T91 HydrophobicContact CD1-CG2 4.09Å; L45-I95 HydrophobicContact CD1-CD1 3.6Å; L45-I95 HydrophobicContact CD1-CG1 3.86Å
46P45Very low58.7Low128 Ų12858.4 Ų58.483%0.83131%0.307SS*.  trans-77.667.3178.333.4-34.5000109.8
47L48.6Very low58.8Low59 Ų5964.3 Ų64.331%0.30933%0.334SS..  trans-111.4123.5177.3-67.2175.2000108.9L45 K51 V52 I55L45-L47 HydrophobicContact CB-CD1 4.18Å; L45-L47 HydrophobicContact CB-CG 4.18Å; L45-L47 HydrophobicContact CD1-CD1 4.32Å; L45-L47 PolarHBondContact O-N 2.93Å; L47-K51 HydrophobicContact CB-CB 4.48Å; L47-K51 HydrophobicContact CD2-CD 4.2Å; L47-V52 HydrophobicContact CB-CG2 3.89Å; L47-I55 HydrophobicContact CD1-CD1 4.04Å
48P50.8Low58.9Low60 Ų6068.5 Ų68.539%0.3935%0.352SS..  trans-53142.5169.8-27.135.2000111.1Y50 K51 V52P48-Y50 HydrophobicContact CB-CD1 3.41Å; P48-Y50 VanDerWaalsContact CB-CD1 3.41Å; P48-Y50 HydrophobicContact CB-CE1 3.18Å; P48-Y50 HydrophobicContact CB-CG 4.46Å; P48-Y50 HydrophobicContact CG-CD1 4.44Å; P48-Y50 HydrophobicContact CG-CE1 3.75Å; P48-Y50 PolarHBondContact O-N 3.12Å; P48-K51 WeakPolarHBondContact O-CA 3.48Å; P48-K51 WeakPolarHBondContact O-CB 3.46Å; P48-K51 PolarHBondContact O-N 2.65Å; P48-V52 PolarHBondContact O-N 2.86Å
49G54.3Low58.9Low52 Ų5268 Ų6854%0.53635%0.349SS..Hα-helixtrans-55.1-26.3-175.100000114.9V52 R53G49-V52 PolarHBondContact O-N 2.8Å; G49-R53 WeakPolarHBondContact O-CG 3.47Å; G49-R53 PolarHBondContact O-N 3.05Å
50Y63Low59.2Low127 Ų12769.2 Ų69.250%0.49836%0.355SS..Hα-helixtrans-69.7-35.1173.476.9-91.9000112.9P48 R53 E54P48-Y50 HydrophobicContact CB-CD1 3.41Å; P48-Y50 VanDerWaalsContact CB-CD1 3.41Å; P48-Y50 HydrophobicContact CB-CE1 3.18Å; P48-Y50 HydrophobicContact CB-CG 4.46Å; P48-Y50 HydrophobicContact CG-CD1 4.44Å; P48-Y50 HydrophobicContact CG-CE1 3.75Å; P48-Y50 PolarHBondContact O-N 3.12Å; Y50-R53 PolarHBondContact O-N 2.9Å; Y50-E54 WeakPolarHBondContact O-CG 3.31Å; Y50-E54 PolarHBondContact O-N 3.26Å
51K56.5Low59.5Low89 Ų8973.1 Ų73.139%0.38738%0.384SS..Hα-helixtrans-70.1-36.2174.8-68.9-163.6-177.6176.60111.6L47 P48 E54 I55L47-K51 HydrophobicContact CB-CB 4.48Å; L47-K51 HydrophobicContact CD2-CD 4.2Å; P48-K51 WeakPolarHBondContact O-CA 3.48Å; P48-K51 WeakPolarHBondContact O-CB 3.46Å; P48-K51 PolarHBondContact O-N 2.65Å; K51-E54 PolarHBondContact O-N 3.27Å; K51-I55 WeakPolarHBondContact O-CD1 3.42Å; K51-I55 WeakPolarHBondContact O-CG1 3.26Å; K51-I55 PolarHBondContact O-N 2.82Å
52V60.9Low59.9Low11 Ų1170.8 Ų70.87%0.06738%0.38CS..Hα-helixtrans-63.8-46.6174.1177.80000110F40 L47 P48 G49 E54 I55 V56F40-V52 HydrophobicContact CB-CG1 3.61Å; F40-V52 HydrophobicContact CG-CG1 4.24Å; L47-V52 HydrophobicContact CB-CG2 3.89Å; P48-V52 PolarHBondContact O-N 2.86Å; G49-V52 PolarHBondContact O-N 2.8Å; V52-E54 PolarHBondContact O-N 2.96Å; V52-I55 PolarHBondContact O-N 3.29Å; V52-V56 HydrophobicContact CG1-CG2 4.35Å; V52-V56 WeakPolarHBondContact O-CB 3.2Å; V52-V56 VanDerWaalsContact O-CG2 3.31Å; V52-V56 WeakPolarHBondContact O-CG2 3.39Å; V52-V56 PolarHBondContact O-N 3.44Å
53R64.1Low60.6Low148 Ų14868.6 Ų68.656%0.55837%0.37SS*.Hα-helixtrans-59.3-45.6173.9-73.5179.7-175.1173.11.9112.3G49 Y50 I55 V56 E57G49-R53 WeakPolarHBondContact O-CG 3.47Å; G49-R53 PolarHBondContact O-N 3.05Å; Y50-R53 PolarHBondContact O-N 2.9Å; R53-I55 VanDerWaalsContact C-N 3.3Å; R53-I55 PolarHBondContact O-N 3.09Å; R53-V56 PolarHBondContact O-N 3.28Å; R53-E57 VanDerWaalsContact O-CB 3.27Å; R53-E57 WeakPolarHBondContact O-CB 3.46Å; R53-E57 VanDerWaalsContact O-CG 3.27Å; R53-E57 WeakPolarHBondContact O-CG 3.31Å; R53-E57 PolarHBondContact O-N 3.34Å
54E65Low61.8Low90 Ų9069.2 Ų69.242%0.42137%0.372SS..Hα-helixtrans-60.5-36.6175.8-79.1178.9-160.100113.2Y50 K51 V52 K58Y50-E54 WeakPolarHBondContact O-CG 3.31Å; Y50-E54 PolarHBondContact O-N 3.26Å; K51-E54 PolarHBondContact O-N 3.27Å; V52-E54 PolarHBondContact O-N 2.96Å; E54-K58 VanDerWaalsContact O-CB 3.3Å; E54-K58 WeakPolarHBondContact O-CB 3.34Å; E54-K58 WeakPolarHBondContact O-CD 3.45Å; E54-K58 WeakPolarHBondContact O-CG 3.19Å; E54-K58 PolarHBondContact O-N 3.13Å
55I63.7Low63Low49 Ų4969.6 Ų69.625%0.25137%0.374SS..Hα-helixtrans-70.9-44.3177.2-69.5164.3000110.2F40 L47 K51 V52 R53 K58 I59F40-I55 HydrophobicContact CE1-CG2 4.01Å; F40-I55 HydrophobicContact CE2-CG2 4.1Å; F40-I55 HydrophobicContact CZ-CG2 3.59Å; L47-I55 HydrophobicContact CD1-CD1 4.04Å; K51-I55 WeakPolarHBondContact O-CD1 3.42Å; K51-I55 WeakPolarHBondContact O-CG1 3.26Å; K51-I55 PolarHBondContact O-N 2.82Å; V52-I55 PolarHBondContact O-N 3.29Å; R53-I55 VanDerWaalsContact C-N 3.3Å; R53-I55 PolarHBondContact O-N 3.09Å; I55-K58 PolarHBondContact O-N 3Å; I55-I59 HydrophobicContact CG2-CD1 3.81Å; I55-I59 HydrophobicContact CG2-CG1 4.49Å; I55-I59 VanDerWaalsContact O-CG1 3.26Å; I55-I59 WeakPolarHBondContact O-CG1 3.39Å; I55-I59 PolarHBondContact O-N 2.94Å
56V68.7Low64.3Low3 Ų370.5 Ų70.52%0.01838%0.38CS..Hα-helixtrans-66.2-44.5178.6172.20000111D33 L36 Q37 F40 V52 R53 K58 I59 I60D33-V56 HydrophobicContact CB-CG1 4.36Å; L36-V56 HydrophobicContact CB-CG1 4.12Å; L36-V56 HydrophobicContact CB-CG2 4.05Å; L36-V56 HydrophobicContact CD1-CG1 4.42Å; Q37-V56 HydrophobicContact CG-CB 4.34Å; Q37-V56 HydrophobicContact CG-CG1 4.22Å; Q37-V56 HydrophobicContact CG-CG2 3.93Å; F40-V56 HydrophobicContact CD2-CG2 3.89Å; F40-V56 HydrophobicContact CE2-CG2 4.17Å; V52-V56 HydrophobicContact CG1-CG2 4.35Å; V52-V56 WeakPolarHBondContact O-CB 3.2Å; V52-V56 VanDerWaalsContact O-CG2 3.31Å; V52-V56 WeakPolarHBondContact O-CG2 3.39Å; V52-V56 PolarHBondContact O-N 3.44Å; R53-V56 PolarHBondContact O-N 3.28Å; V56-K58 VanDerWaalsContact C-N 3.31Å; V56-K58 PolarHBondContact O-N 2.92Å; V56-I59 PolarHBondContact O-N 3.45Å; V56-I59 VanDerWaalsContact O-N 3.16Å; V56-I60 HydrophobicContact CG1-CD1 3.67Å; V56-I60 HydrophobicContact CG1-CG1 4.35Å; V56-I60 WeakPolarHBondContact O-CG1 3.25Å; V56-I60 PolarHBondContact O-N 3.41Å
57E70.4Confident65.8Low125 Ų12573.2 Ų73.258%0.58438%0.379SS*.Hα-helixtrans-59.7-41.4173.8-76.2172.8-171.600111.4R53 S61R53-E57 VanDerWaalsContact O-CB 3.27Å; R53-E57 WeakPolarHBondContact O-CB 3.46Å; R53-E57 VanDerWaalsContact O-CG 3.27Å; R53-E57 WeakPolarHBondContact O-CG 3.31Å; R53-E57 PolarHBondContact O-N 3.34Å; E57-S61 WeakPolarHBondContact O-CB 3.32Å; E57-S61 PolarHBondContact O-N 2.86Å; E57-S61 PolarHBondContact O-OG 2.9Å
58K68Low67Low125 Ų12574.1 Ų74.154%0.54338%0.384SS..Hα-helixtrans-64.1-43.5173.8-79169.9-174.2165.40111.9E54 I55 V56 S61 V62E54-K58 VanDerWaalsContact O-CB 3.3Å; E54-K58 WeakPolarHBondContact O-CB 3.34Å; E54-K58 WeakPolarHBondContact O-CD 3.45Å; E54-K58 WeakPolarHBondContact O-CG 3.19Å; E54-K58 PolarHBondContact O-N 3.13Å; I55-K58 PolarHBondContact O-N 3Å; V56-K58 VanDerWaalsContact C-N 3.31Å; V56-K58 PolarHBondContact O-N 2.92Å; K58-S61 WeakPolarHBondContact CA-OG 3.42Å; K58-S61 PolarHBondContact O-OG 3.46Å; K58-V62 VanDerWaalsContact O-CG2 3.24Å; K58-V62 WeakPolarHBondContact O-CG2 3.48Å; K58-V62 PolarHBondContact O-N 2.81Å
59I67.4Low67.9Low11 Ų1173 Ų736%0.05638%0.384CS..Hα-helixtrans-61.9-49.3178-73.2166.5000110.4L36 F40 I55 V56 V62 A63 I71 L79 F92L36-I59 HydrophobicContact CD1-CG2 4.02Å; F40-I59 HydrophobicContact CE2-CD1 3.87Å; F40-I59 HydrophobicContact CZ-CD1 3.91Å; I55-I59 HydrophobicContact CG2-CD1 3.81Å; I55-I59 HydrophobicContact CG2-CG1 4.49Å; I55-I59 VanDerWaalsContact O-CG1 3.26Å; I55-I59 WeakPolarHBondContact O-CG1 3.39Å; I55-I59 PolarHBondContact O-N 2.94Å; V56-I59 PolarHBondContact O-N 3.45Å; V56-I59 VanDerWaalsContact O-N 3.16Å; I59-V62 PolarHBondContact O-N 2.95Å; I59-A63 WeakPolarHBondContact O-CB 3.44Å; I59-A63 PolarHBondContact O-N 3.26Å; I59-I71 HydrophobicContact CG2-CD1 4.1Å; I59-L79 HydrophobicContact CG2-CD2 3.81Å; I59-F92 HydrophobicContact CD1-CD2 4.35Å; I59-F92 HydrophobicContact CD1-CE2 4.34Å
60I71.5Confident69Low31 Ų3175 Ų7516%0.15938%0.378CS..Hα-helixtrans-64.3-44.4179.7-66.3168.4000110.5D33 L36 V56 V62 A63 D64 I71D33-I60 HydrophobicContact CB-CD1 3.35Å; L36-I60 HydrophobicContact CD1-CG1 4.33Å; V56-I60 HydrophobicContact CG1-CD1 3.67Å; V56-I60 HydrophobicContact CG1-CG1 4.35Å; V56-I60 WeakPolarHBondContact O-CG1 3.25Å; V56-I60 PolarHBondContact O-N 3.41Å; I60-V62 PolarHBondContact O-N 3.2Å; I60-A63 PolarHBondContact O-N 3.42Å; I60-D64 HydrophobicContact CG2-CB 3.98Å; I60-D64 VanDerWaalsContact O-CB 3.26Å; I60-D64 WeakPolarHBondContact O-CB 3.47Å; I60-D64 PolarHBondContact O-N 3.19Å; I60-I71 HydrophobicContact CG1-CD1 4.35Å
61S69.3Low70Confident91 Ų9169.1 Ų69.164%0.63635%0.354SS*.Hα-helixtrans-61.1-21179.172.50000114.4E57 K58E57-S61 WeakPolarHBondContact O-CB 3.32Å; E57-S61 PolarHBondContact O-N 2.86Å; E57-S61 PolarHBondContact O-OG 2.9Å; K58-S61 WeakPolarHBondContact CA-OG 3.42Å; K58-S61 PolarHBondContact O-OG 3.46Å
62V66.9Low71.2Confident73 Ų7365.5 Ų65.544%0.44234%0.341SS..Hα-helixtrans-99-37.5179.1174.90000111.3K58 I59 I60 L79K58-V62 VanDerWaalsContact O-CG2 3.24Å; K58-V62 WeakPolarHBondContact O-CG2 3.48Å; K58-V62 PolarHBondContact O-N 2.81Å; I59-V62 PolarHBondContact O-N 2.95Å; I60-V62 PolarHBondContact O-N 3.2Å; V62-L79 HydrophobicContact CB-CD1 4.43Å; V62-L79 HydrophobicContact CG1-CD1 4Å
63A70.4Confident72.1Confident3 Ų366.5 Ų66.53%0.02534%0.344CS..Hα-helixtrans-85.8-40.4-174.200000113.7I59 I60 S65 I71 E75 L79I59-A63 WeakPolarHBondContact O-CB 3.44Å; I59-A63 PolarHBondContact O-N 3.26Å; I60-A63 PolarHBondContact O-N 3.42Å; A63-S65 VanDerWaalsContact C-N 3.34Å; A63-S65 PolarHBondContact O-N 2.93Å; A63-I71 HydrophobicContact CB-CD1 3.77Å; A63-I71 HydrophobicContact CB-CG1 4.07Å; A63-I71 HydrophobicContact CB-CG2 4.23Å; A63-E75 WeakPolarHBondContact O-CB 3.24Å; A63-E75 WeakPolarHBondContact O-CG 3.35Å; A63-L79 HydrophobicContact CB-CB 4.05Å; A63-L79 HydrophobicContact CB-CD1 3.97Å; A63-L79 HydrophobicContact CB-CD2 3.92Å; A63-L79 HydrophobicContact CB-CG 4.17Å
64D77.2Confident72.7Confident21 Ų2165.7 Ų65.711%0.11235%0.347CS..  trans-7982-174.4179.88.4000110.4I60 N66 K67 D68 G69I60-D64 HydrophobicContact CG2-CB 3.98Å; I60-D64 VanDerWaalsContact O-CB 3.26Å; I60-D64 WeakPolarHBondContact O-CB 3.47Å; I60-D64 PolarHBondContact O-N 3.19Å; D64-N66 VanDerWaalsContact C-N 3.32Å; D64-N66 PolarHBondContact OD1-OD1 3.5Å; D64-N66 VanDerWaalsContact OD1-OD1 3.11Å; D64-K67 WeakPolarHBondContact OD1-CA 3.22Å; D64-K67 PolarHBondContact OD1-N 2.79Å; D64-K67 WeakPolarHBondContact OD2-CA 3.36Å; D64-D68 PolarHBondContact OD1-N 2.88Å; D64-D68 PolarHBondContact OD2-N 2.92Å; D64-G69 VanDerWaalsContact OD2-CA 3.28Å; D64-G69 WeakPolarHBondContact OD2-CA 3.47Å; D64-G69 PolarHBondContact OD2-N 3.36Å
65S72.9Confident73.4Confident100 Ų10062.4 Ų62.470%0.69933%0.331SS*.SBendtrans-73.5-28.6-177.5-67.70000111.9A63 E75A63-S65 VanDerWaalsContact C-N 3.34Å; A63-S65 PolarHBondContact O-N 2.93Å; S65-E75 PolarHBondContact N-OE1 2.77Å
66N75.3Confident74Confident85 Ų8560.1 Ų60.146%0.45532%0.32SS..SBendtrans-90.1-11.8-176.476.436.5000113.1D64 D68 E75D64-N66 VanDerWaalsContact C-N 3.32Å; D64-N66 PolarHBondContact OD1-OD1 3.5Å; D64-N66 VanDerWaalsContact OD1-OD1 3.11Å; N66-D68 PolarHBondContact ND2-OD2 2.86Å; N66-D68 VanDerWaalsContact ND2-OD2 3.15Å; N66-D68 WeakPolarHBondContact OD1-CB 3.43Å; N66-D68 PolarHBondContact OD1-N 3.26Å; N66-D68 PolarHBondContact OD1-OD1 2.87Å; N66-D68 PolarHBondContact OD1-OD2 2.72Å; N66-D68 VanDerWaalsContact OD1-OD2 3.13Å; N66-E75 VanDerWaalsContact CG-OE1 3.28Å; N66-E75 PolarHBondContact N-OE1 3Å; N66-E75 PolarHBondContact ND2-OE1 3.06Å
67K76.1Confident74.4Confident185 Ų18560.7 Ų60.780%0.80432%0.323SS*.  trans63.232.4179.5-57.5-174.7178.9-177.40114.4D64 G69D64-K67 WeakPolarHBondContact OD1-CA 3.22Å; D64-K67 PolarHBondContact OD1-N 2.79Å; D64-K67 WeakPolarHBondContact OD2-CA 3.36Å; K67-G69 VanDerWaalsContact C-N 3.28Å
68D75.5Confident74.5Confident77 Ų7758 Ų5841%0.41232%0.318SS..SBendtrans-85-3176.471.313.8000113.2D64 N66 K70D64-D68 PolarHBondContact OD1-N 2.88Å; D64-D68 PolarHBondContact OD2-N 2.92Å; N66-D68 PolarHBondContact ND2-OD2 2.86Å; N66-D68 VanDerWaalsContact ND2-OD2 3.15Å; N66-D68 WeakPolarHBondContact OD1-CB 3.43Å; N66-D68 PolarHBondContact OD1-N 3.26Å; N66-D68 PolarHBondContact OD1-OD1 2.87Å; N66-D68 PolarHBondContact OD1-OD2 2.72Å; N66-D68 VanDerWaalsContact OD1-OD2 3.13Å; D68-K70 VanDerWaalsContact C-N 3.28Å; D68-K70 WeakPolarHBondContact OD1-CA 3.41Å; D68-K70 WeakPolarHBondContact OD1-CB 3.38Å; D68-K70 PolarHBondContact OD1-N 2.96Å; D68-K70 VanDerWaalsContact OD1-O 3.07Å
69G69.1Low74.7Confident38 Ų3852.3 Ų52.339%0.39229%0.294SS..SBendtrans78.511-179.900000113.6D64 K67D64-G69 VanDerWaalsContact OD2-CA 3.28Å; D64-G69 WeakPolarHBondContact OD2-CA 3.47Å; D64-G69 PolarHBondContact OD2-N 3.36Å; K67-G69 VanDerWaalsContact C-N 3.28Å
70K78.1Confident74.7Confident94 Ų9452.2 Ų52.241%0.40929%0.293SS..EExtended strand (participates in β ladder)trans-133168.4178.5-56-173.2178-166.60109.8D68D68-K70 VanDerWaalsContact C-N 3.28Å; D68-K70 WeakPolarHBondContact OD1-CA 3.41Å; D68-K70 WeakPolarHBondContact OD1-CB 3.38Å; D68-K70 PolarHBondContact OD1-N 2.96Å; D68-K70 VanDerWaalsContact OD1-O 3.07Å
71I82.2Confident74.4Confident2 Ų253.4 Ų53.41%0.0130%0.298CS..EExtended strand (participates in β ladder)trans-120.3111.1179.8-56.7176.1000108.5Y30 V31 L36 I59 I60 A63 E75 F76Y30-I71 WeakPolarHBondContact CA-O 3.13Å; V31-I71 HydrophobicContact CB-CB 4.29Å; V31-I71 PolarHBondContact N-O 3.27Å; V31-I71 PolarHBondContact O-N 2.85Å; L36-I71 HydrophobicContact CD1-CD1 3.79Å; I59-I71 HydrophobicContact CG2-CD1 4.1Å; I60-I71 HydrophobicContact CG1-CD1 4.35Å; A63-I71 HydrophobicContact CB-CD1 3.77Å; A63-I71 HydrophobicContact CB-CG1 4.07Å; A63-I71 HydrophobicContact CB-CG2 4.23Å; I71-E75 HydrophobicContact CG2-CB 3.94Å; I71-F76 HydrophobicContact CG2-CB 3.93Å
72S81.9Confident74.2Confident14 Ų1455 Ų5510%0.09830%0.295CS..EExtended strand (participates in β ladder)trans-69.4164.9171.260.70000112.1E74 E75 F76S72-E74 VanDerWaalsContact C-N 3.27Å; S72-E74 PolarHBondContact O-N 2.95Å; S72-E75 WeakPolarHBondContact CB-OE2 3.41Å; S72-E75 PolarHBondContact N-OE2 3.37Å; S72-E75 PolarHBondContact O-N 3.36Å; S72-E75 WeakPolarHBondContact OG-CB 3.35Å; S72-E75 VanDerWaalsContact OG-CG 3.29Å; S72-E75 WeakPolarHBondContact OG-CG 3.46Å; S72-E75 PolarHBondContact OG-N 2.97Å; S72-E75 PolarHBondContact OG-OE2 3.49Å; S72-F76 WeakPolarHBondContact O-CB 3.3Å; S72-F76 PolarHBondContact O-N 2.65Å
73F80.1Confident73.8Confident31 Ų3152.5 Ų52.514%0.13628%0.279CS..Hα-helixtrans-59.1-40176.5-179.8-115.7000111.9L13 Q17 F20 E75 F76 V77L13-F73 HydrophobicContact CD2-CE1 4.39Å; L13-F73 HydrophobicContact CD2-CZ 4.46Å; Q17-F73 HydrophobicContact CB-CE2 4.03Å; Q17-F73 HydrophobicContact CB-CZ 3.89Å; Q17-F73 HydrophobicContact CG-CE2 4.49Å; Q17-F73 HydrophobicContact CG-CZ 4.41Å; F20-F73 HydrophobicContact CB-CD2 3.73Å; F20-F73 HydrophobicContact CB-CE2 4Å; F20-F73 HydrophobicContact CD1-CB 4.38Å; F20-F73 AromaticContact CD1-CD2 3.98Å; F20-F73 HydrophobicContact CD1-CD2 3.98Å; F20-F73 HydrophobicContact CD2-CB 4.46Å; F20-F73 AromaticContact CD2-CD2 3.91Å; F20-F73 HydrophobicContact CD2-CD2 3.91Å; F20-F73 HydrophobicContact CE1-CB 4.15Å; F20-F73 HydrophobicContact CE2-CB 4.21Å; F20-F73 HydrophobicContact CE2-CD2 4.49Å; F20-F73 AromaticContact CG-CD2 3.6Å; F20-F73 HydrophobicContact CG-CD2 3.6Å; F20-F73 HydrophobicContact CG-CE2 4.37Å; F20-F73 HydrophobicContact CZ-CB 4.05Å; F73-E75 PolarHBondContact O-N 3.13Å; F73-F76 PolarHBondContact O-N 3.13Å; F73-V77 HydrophobicContact CD1-CG2 4.35Å; F73-V77 HydrophobicContact CD2-CG2 4.2Å; F73-V77 HydrophobicContact CE1-CG2 3.93Å; F73-V77 HydrophobicContact CE2-CG2 3.74Å; F73-V77 HydrophobicContact CG-CG2 4.49Å; F73-V77 HydrophobicContact CZ-CG2 3.61Å; F73-V77 WeakPolarHBondContact O-CB 3.42Å; F73-V77 VanDerWaalsContact O-CG2 3.25Å; F73-V77 WeakPolarHBondContact O-CG2 3.36Å; F73-V77 PolarHBondContact O-N 3.1Å
74E77.1Confident73.1Confident132 Ų13258.1 Ų58.162%0.61730%0.303SS*.Hα-helixtrans-64.9-37.9177.4-65.878.4-170.700112.6S72 S78S72-E74 VanDerWaalsContact C-N 3.27Å; S72-E74 PolarHBondContact O-N 2.95Å; E74-S78 WeakPolarHBondContact O-CB 3.43Å; E74-S78 PolarHBondContact O-N 3.21Å; E74-S78 PolarHBondContact O-OG 3.28Å
75E78.9Confident71.7Confident20 Ų2061.6 Ų61.69%0.09333%0.329CS..Hα-helixtrans-70.9-38.4174.5-75.5163153.300111.8A63 S65 N66 I71 S72 F73 S78 L79A63-E75 WeakPolarHBondContact O-CB 3.24Å; A63-E75 WeakPolarHBondContact O-CG 3.35Å; S65-E75 PolarHBondContact N-OE1 2.77Å; N66-E75 VanDerWaalsContact CG-OE1 3.28Å; N66-E75 PolarHBondContact N-OE1 3Å; N66-E75 PolarHBondContact ND2-OE1 3.06Å; I71-E75 HydrophobicContact CG2-CB 3.94Å; S72-E75 WeakPolarHBondContact CB-OE2 3.41Å; S72-E75 PolarHBondContact N-OE2 3.37Å; S72-E75 PolarHBondContact O-N 3.36Å; S72-E75 WeakPolarHBondContact OG-CB 3.35Å; S72-E75 VanDerWaalsContact OG-CG 3.29Å; S72-E75 WeakPolarHBondContact OG-CG 3.46Å; S72-E75 PolarHBondContact OG-N 2.97Å; S72-E75 PolarHBondContact OG-OE2 3.49Å; F73-E75 PolarHBondContact O-N 3.13Å; E75-S78 PolarHBondContact O-N 3.12Å; E75-L79 VanDerWaalsContact O-CB 3.3Å; E75-L79 WeakPolarHBondContact O-CB 3.28Å; E75-L79 PolarHBondContact O-N 2.83Å
76F76.9Confident70.8Confident2 Ų263.7 Ų63.71%0.00933%0.325CS..Hα-helixtrans-63.4-42.9174.2-177.8-102000112L16 A19 F20 I23 I71 S72 F73 S78 L79 M80 F92L16-F76 HydrophobicContact CD2-CE1 4.33Å; A19-F76 HydrophobicContact CB-CE1 4.43Å; A19-F76 HydrophobicContact CB-CZ 4.46Å; F20-F76 HydrophobicContact CB-CD1 4.01Å; F20-F76 HydrophobicContact CB-CE1 4.03Å; F20-F76 HydrophobicContact CD2-CB 3.64Å; F20-F76 AromaticContact CD2-CD1 3.73Å; F20-F76 HydrophobicContact CD2-CD1 3.73Å; F20-F76 HydrophobicContact CD2-CD2 4.13Å; F20-F76 HydrophobicContact CD2-CE1 4.37Å; F20-F76 AromaticContact CD2-CG 3.58Å; F20-F76 HydrophobicContact CD2-CG 3.58Å; F20-F76 HydrophobicContact CE2-CB 3.86Å; F20-F76 HydrophobicContact CE2-CG 4.25Å; F20-F76 HydrophobicContact CG-CD1 4.36Å; I23-F76 HydrophobicContact CD1-CE2 3.83Å; I23-F76 HydrophobicContact CD1-CZ 3.95Å; I71-F76 HydrophobicContact CG2-CB 3.93Å; S72-F76 WeakPolarHBondContact O-CB 3.3Å; S72-F76 PolarHBondContact O-N 2.65Å; F73-F76 PolarHBondContact O-N 3.13Å; F76-S78 VanDerWaalsContact C-N 3.35Å; F76-L79 PolarHBondContact O-N 2.82Å; F76-M80 HydrophobicContact CD1-CG 4.36Å; F76-M80 HydrophobicContact CE1-CG 4.12Å; F76-M80 HydrophobicContact CE2-CG 4.47Å; F76-M80 HydrophobicContact CZ-CG 4.18Å; F76-M80 WeakPolarHBondContact O-CB 3.27Å; F76-M80 WeakPolarHBondContact O-CG 3.46Å; F76-M80 PolarHBondContact O-N 2.91Å; F76-F92 AromaticContact CE2-CE1 3.84Å; F76-F92 HydrophobicContact CE2-CE1 3.84Å; F76-F92 HydrophobicContact CE2-CZ 4.14Å; F76-F92 HydrophobicContact CZ-CE1 4.22Å
77V76.6Confident69.6Low14 Ų1466 Ų669%0.08534%0.338CS..Hα-helixtrans-63.6-42.6175.2169.70000110.6I8 L16 F73 M80 Q81I8-V77 HydrophobicContact CD1-CG1 3.24Å; L16-V77 HydrophobicContact CB-CG2 4.48Å; L16-V77 HydrophobicContact CD1-CG1 4.47Å; L16-V77 HydrophobicContact CD1-CG2 4.37Å; F73-V77 HydrophobicContact CD1-CG2 4.35Å; F73-V77 HydrophobicContact CD2-CG2 4.2Å; F73-V77 HydrophobicContact CE1-CG2 3.93Å; F73-V77 HydrophobicContact CE2-CG2 3.74Å; F73-V77 HydrophobicContact CG-CG2 4.49Å; F73-V77 HydrophobicContact CZ-CG2 3.61Å; F73-V77 WeakPolarHBondContact O-CB 3.42Å; F73-V77 VanDerWaalsContact O-CG2 3.25Å; F73-V77 WeakPolarHBondContact O-CG2 3.36Å; F73-V77 PolarHBondContact O-N 3.1Å; V77-M80 PolarHBondContact O-N 3.05Å; V77-Q81 WeakPolarHBondContact O-CG 3.48Å; V77-Q81 PolarHBondContact O-N 3.12Å
78S72.4Confident68.3Low69 Ų6961.3 Ų61.348%0.48332%0.321SS..Hα-helixtrans-64.1-44.6177.3-59.60000112E74 E75 F76 M80 Q81 E82E74-S78 WeakPolarHBondContact O-CB 3.43Å; E74-S78 PolarHBondContact O-N 3.21Å; E74-S78 PolarHBondContact O-OG 3.28Å; E75-S78 PolarHBondContact O-N 3.12Å; F76-S78 VanDerWaalsContact C-N 3.35Å; S78-M80 PolarHBondContact O-N 2.97Å; S78-Q81 PolarHBondContact O-N 2.86Å; S78-E82 PolarHBondContact O-N 2.9Å
79L71.9Confident67.4Low6 Ų658.5 Ų58.53%0.03131%0.307CS..Hα-helixtrans-56.9-47.4173.1175.871.6000111.2I59 V62 A63 E75 F76 Q81 E82 L83I59-L79 HydrophobicContact CG2-CD2 3.81Å; V62-L79 HydrophobicContact CB-CD1 4.43Å; V62-L79 HydrophobicContact CG1-CD1 4Å; A63-L79 HydrophobicContact CB-CB 4.05Å; A63-L79 HydrophobicContact CB-CD1 3.97Å; A63-L79 HydrophobicContact CB-CD2 3.92Å; A63-L79 HydrophobicContact CB-CG 4.17Å; E75-L79 VanDerWaalsContact O-CB 3.3Å; E75-L79 WeakPolarHBondContact O-CB 3.28Å; E75-L79 PolarHBondContact O-N 2.83Å; F76-L79 PolarHBondContact O-N 2.82Å; L79-Q81 VanDerWaalsContact C-N 3.27Å; L79-Q81 PolarHBondContact O-N 2.85Å; L79-E82 PolarHBondContact O-N 3.13Å; L79-L83 HydrophobicContact CD1-CD1 3.68Å; L79-L83 HydrophobicContact CD1-CG 4.05Å; L79-L83 HydrophobicContact CD2-CD1 4.29Å; L79-L83 HydrophobicContact CG-CD1 3.67Å; L79-L83 HydrophobicContact CG-CG 4.33Å; L79-L83 VanDerWaalsContact O-CB 3.26Å; L79-L83 WeakPolarHBondContact O-CB 3.22Å; L79-L83 WeakPolarHBondContact O-CG 3.47Å; L79-L83 PolarHBondContact O-N 3.38Å
80M67.7Low66.8Low8 Ų864 Ų644%0.03932%0.32CS..Hα-helixtrans-68.8-26.2-178-72.2-65-75.600112.9L16 F76 V77 S78 F92 R93L16-M80 HydrophobicContact CD2-CB 3.8Å; L16-M80 HydrophobicContact CD2-CE 3.88Å; L16-M80 HydrophobicContact CD2-CG 3.84Å; F76-M80 HydrophobicContact CD1-CG 4.36Å; F76-M80 HydrophobicContact CE1-CG 4.12Å; F76-M80 HydrophobicContact CE2-CG 4.47Å; F76-M80 HydrophobicContact CZ-CG 4.18Å; F76-M80 WeakPolarHBondContact O-CB 3.27Å; F76-M80 WeakPolarHBondContact O-CG 3.46Å; F76-M80 PolarHBondContact O-N 2.91Å; V77-M80 PolarHBondContact O-N 3.05Å; S78-M80 PolarHBondContact O-N 2.97Å; M80-F92 HydrophobicContact SD-CD1 3.95Å; M80-F92 HydrophobicContact SD-CE1 4.14Å; M80-R93 HydrophobicContact CE-CG 4.02Å
81Q66.6Low65.7Low57 Ų5762.9 Ų62.927%0.26632%0.321SS..Hα-helixtrans-74.3-45.8170-73.5-171.15.300112.5T6 V77 S78 L79 L83 K84T6-Q81 PolarHBondContact OG1-OE1 2.68Å; V77-Q81 WeakPolarHBondContact O-CG 3.48Å; V77-Q81 PolarHBondContact O-N 3.12Å; S78-Q81 PolarHBondContact O-N 2.86Å; L79-Q81 VanDerWaalsContact C-N 3.27Å; L79-Q81 PolarHBondContact O-N 2.85Å; Q81-L83 VanDerWaalsContact C-N 3.29Å; Q81-L83 PolarHBondContact O-N 2.98Å; Q81-K84 WeakPolarHBondContact O-CB 3.49Å; Q81-K84 PolarHBondContact O-N 2.8Å
82E63.9Low64.6Low124 Ų12463 Ų6358%0.57932%0.322SS*.Hα-helixtrans-66.3-34.5-178.8-157.5177.2-179.300111.6S78 L79 K84 S85S78-E82 PolarHBondContact O-N 2.9Å; L79-E82 PolarHBondContact O-N 3.13Å; E82-K84 VanDerWaalsContact C-N 3.33Å; E82-K84 PolarHBondContact O-N 3.42Å; E82-S85 PolarHBondContact O-OG 3.18Å; E82-S85 VanDerWaalsContact O-OG 3.07Å
83L59.6Low63.6Low20 Ų2067.3 Ų67.311%0.10534%0.336CS..G310 helixtrans-76.1-7.2176.4-69.8175.7000114.8L79 Q81 S85 K86 I88 S89L79-L83 HydrophobicContact CD1-CD1 3.68Å; L79-L83 HydrophobicContact CD1-CG 4.05Å; L79-L83 HydrophobicContact CD2-CD1 4.29Å; L79-L83 HydrophobicContact CG-CD1 3.67Å; L79-L83 HydrophobicContact CG-CG 4.33Å; L79-L83 VanDerWaalsContact O-CB 3.26Å; L79-L83 WeakPolarHBondContact O-CB 3.22Å; L79-L83 WeakPolarHBondContact O-CG 3.47Å; L79-L83 PolarHBondContact O-N 3.38Å; Q81-L83 VanDerWaalsContact C-N 3.29Å; Q81-L83 PolarHBondContact O-N 2.98Å; L83-S85 PolarHBondContact O-N 3.2Å; L83-K86 PolarHBondContact O-N 3.1Å; L83-I88 HydrophobicContact CD2-CB 4.29Å; L83-I88 HydrophobicContact CD2-CG2 4.34Å; L83-S89 WeakPolarHBondContact O-CB 3.26Å
84K55.6Low62.6Low121 Ų12173.1 Ų73.153%0.52636%0.361SS..G310 helixtrans-59.8-9.8172.5-81.9-176.7174.6-176.90112.8E12 Q81 E82E12-K84 IonicContact OE1-NZ 3.41Å; E12-K84 PolarHBondContact OE1-NZ 3.07Å; Q81-K84 WeakPolarHBondContact O-CB 3.49Å; Q81-K84 PolarHBondContact O-N 2.8Å; E82-K84 VanDerWaalsContact C-N 3.33Å; E82-K84 PolarHBondContact O-N 3.42Å
85S48.3Very low61.8Low95 Ų9567.1 Ų67.166%0.66433%0.333SS*.G310 helixtrans-108.1-0.2-177.467.50000116.6E82 L83E82-S85 PolarHBondContact O-OG 3.18Å; E82-S85 VanDerWaalsContact O-OG 3.07Å; L83-S85 PolarHBondContact O-N 3.2Å
86K52.2Low60.7Low143 Ų14366.6 Ų66.662%0.62233%0.331SS*.SBendtrans-138152-174.5-66.6178.1-177168.10113.6L83 I88 S89L83-K86 PolarHBondContact O-N 3.1Å; K86-I88 PolarHBondContact O-N 2.78Å; K86-S89 PolarHBondContact O-N 2.77Å
87D50.9Low59.8Low135 Ų13571.8 Ų71.872%0.72236%0.359SS*.THydrogen-bonded Turntrans-56.5-15.7-174.9-77.5-46.7000116.2S89D87-S89 VanDerWaalsContact C-N 3.31Å; D87-S89 PolarHBondContact O-N 2.78Å
88I49.3Very low58.8Low86 Ų8676.5 Ų76.544%0.44138%0.378SS..Hα-helixtrans-68.6-28.8-179.5-61.7164.7000111.9L83 K86 K90 T91 F92L83-I88 HydrophobicContact CD2-CB 4.29Å; L83-I88 HydrophobicContact CD2-CG2 4.34Å; K86-I88 PolarHBondContact O-N 2.78Å; I88-K90 PolarHBondContact O-N 3.16Å; I88-T91 PolarHBondContact O-N 3.34Å; I88-F92 PolarHBondContact O-N 2.84Å
89S55.3Low57.7Low17 Ų1776.1 Ų76.112%0.11937%0.366CS..Hα-helixtrans-67.9-34.5-176.4125.20000113.7L83 K86 D87 R93L83-S89 WeakPolarHBondContact O-CB 3.26Å; K86-S89 PolarHBondContact O-N 2.77Å; D87-S89 VanDerWaalsContact C-N 3.31Å; D87-S89 PolarHBondContact O-N 2.78Å; S89-R93 WeakPolarHBondContact O-CB 3.42Å; S89-R93 WeakPolarHBondContact O-CG 3.46Å; S89-R93 PolarHBondContact O-N 2.87Å; S89-R93 VanDerWaalsContact O-N 3.09Å
90K56.5Low56.3Low153 Ų15383.9 Ų83.967%0.66540%0.402SS*.Hα-helixtrans-68.9-39.3-179.6-70.4179.9-178.81700111.9I88 K94I88-K90 PolarHBondContact O-N 3.16Å; K90-K94 WeakPolarHBondContact O-CB 3.49Å; K90-K94 PolarHBondContact O-N 2.87Å
91T54.9Low55.2Low71 Ų7187.3 Ų87.344%0.43644%0.44SS..Hα-helixtrans-69.2-46.1178.7-55.40000111L45 I88 K94 I95L45-T91 HydrophobicContact CD1-CG2 4.09Å; I88-T91 PolarHBondContact O-N 3.34Å; T91-K94 PolarHBondContact O-N 3.28Å; T91-I95 HydrophobicContact CG2-CD1 4.06Å; T91-I95 WeakPolarHBondContact O-CD1 3.24Å; T91-I95 VanDerWaalsContact O-CG1 3.23Å; T91-I95 WeakPolarHBondContact O-CG1 3.31Å; T91-I95 PolarHBondContact O-N 3.44Å
92F59.4Low54Low4 Ų488 Ų882%0.01844%0.444CS..Hα-helixtrans-64-42.7-179.8-167.9-111.6000112.7I23 L36 L39 F40 I59 F76 M80 I88 I95 I96I23-F92 HydrophobicContact CD1-CE1 4.35Å; I23-F92 HydrophobicContact CD1-CZ 3.91Å; L36-F92 HydrophobicContact CD2-CE2 3.91Å; L36-F92 HydrophobicContact CD2-CZ 3.92Å; L39-F92 HydrophobicContact CD2-CE2 3.9Å; L39-F92 HydrophobicContact CD2-CZ 4.25Å; F40-F92 HydrophobicContact CE2-CD2 4.06Å; F40-F92 HydrophobicContact CE2-CE2 4.03Å; F40-F92 AromaticContact CZ-CD2 3.67Å; F40-F92 HydrophobicContact CZ-CD2 3.67Å; F40-F92 HydrophobicContact CZ-CE2 4.13Å; I59-F92 HydrophobicContact CD1-CD2 4.35Å; I59-F92 HydrophobicContact CD1-CE2 4.34Å; F76-F92 AromaticContact CE2-CE1 3.84Å; F76-F92 HydrophobicContact CE2-CE1 3.84Å; F76-F92 HydrophobicContact CE2-CZ 4.14Å; F76-F92 HydrophobicContact CZ-CE1 4.22Å; M80-F92 HydrophobicContact SD-CD1 3.95Å; M80-F92 HydrophobicContact SD-CE1 4.14Å; I88-F92 PolarHBondContact O-N 2.84Å; F92-I95 WeakPolarHBondContact O-CB 3.3Å; F92-I95 PolarHBondContact O-N 2.88Å; F92-I96 HydrophobicContact CD1-CD1 3.93Å; F92-I96 HydrophobicContact CE1-CD1 3.72Å; F92-I96 HydrophobicContact CZ-CD1 4.26Å; F92-I96 WeakPolarHBondContact O-CG1 3.37Å; F92-I96 PolarHBondContact O-N 3.24Å
93R61.1Low52.7Low106 Ų10686 Ų8640%0.444%0.441SS..Hα-helixtrans-65.4-38.9175-74-178.7-178.3-167.2-4.3113.4M80 S89 I95 I96 N97M80-R93 HydrophobicContact CE-CG 4.02Å; S89-R93 WeakPolarHBondContact O-CB 3.42Å; S89-R93 WeakPolarHBondContact O-CG 3.46Å; S89-R93 PolarHBondContact O-N 2.87Å; S89-R93 VanDerWaalsContact O-N 3.09Å; R93-I95 PolarHBondContact O-N 3.46Å; R93-I96 PolarHBondContact O-N 3.06Å; R93-N97 PolarHBondContact O-N 3.41Å
94K59.7Low51.5Low152 Ų15287.9 Ų87.966%0.66146%0.459SS*.Hα-helixtrans-63.6-31.4178-171.9175.8-178178.60112.2K90 T91 K98K90-K94 WeakPolarHBondContact O-CB 3.49Å; K90-K94 PolarHBondContact O-N 2.87Å; T91-K94 PolarHBondContact O-N 3.28Å; K94-K98 PolarHBondContact O-N 2.9Å
95I59.3Low50.4Low6 Ų688.9 Ų88.93%0.03147%0.469CS..Hα-helixtrans-70.7-48.1177.8-72.5163.8000110.9L39 F40 A43 L45 T91 F92 R93 N97 K98L39-I95 HydrophobicContact CD1-CG2 3.92Å; L39-I95 HydrophobicContact CD2-CG2 4.08Å; L39-I95 HydrophobicContact CG-CG2 3.6Å; F40-I95 HydrophobicContact CD1-CD1 3.47Å; F40-I95 VanDerWaalsContact CD1-CD1 3.47Å; F40-I95 HydrophobicContact CE1-CD1 3.31Å; F40-I95 HydrophobicContact CZ-CD1 4.24Å; A43-I95 HydrophobicContact CB-CB 3.82Å; A43-I95 HydrophobicContact CB-CG1 3.64Å; A43-I95 HydrophobicContact CB-CG2 3.4Å; A43-I95 VanDerWaalsContact CB-CG2 3.4Å; L45-I95 HydrophobicContact CD1-CD1 3.6Å; L45-I95 HydrophobicContact CD1-CG1 3.86Å; T91-I95 HydrophobicContact CG2-CD1 4.06Å; T91-I95 WeakPolarHBondContact O-CD1 3.24Å; T91-I95 VanDerWaalsContact O-CG1 3.23Å; T91-I95 WeakPolarHBondContact O-CG1 3.31Å; T91-I95 PolarHBondContact O-N 3.44Å; F92-I95 WeakPolarHBondContact O-CB 3.3Å; F92-I95 PolarHBondContact O-N 2.88Å; R93-I95 PolarHBondContact O-N 3.46Å; I95-N97 VanDerWaalsContact C-N 3.27Å; I95-N97 PolarHBondContact O-N 3.48Å; I95-K98 WeakPolarHBondContact O-CB 3.37Å; I95-K98 PolarHBondContact O-N 3.43Å
96I57.2Low49.5Very low9 Ų987.7 Ų87.75%0.04647%0.471CS..Hα-helixtrans-60.2-38.7179.5-63.9166.1000111.3A19 K22 I23 L39 F92 R93 K98A19-I96 HydrophobicContact CB-CD1 4.36Å; A19-I96 HydrophobicContact CB-CG2 4.1Å; K22-I96 HydrophobicContact CD-CG2 4.15Å; I23-I96 HydrophobicContact CD1-CD1 3.86Å; I23-I96 HydrophobicContact CD1-CG1 4.13Å; L39-I96 HydrophobicContact CD2-CG1 4.24Å; F92-I96 HydrophobicContact CD1-CD1 3.93Å; F92-I96 HydrophobicContact CE1-CD1 3.72Å; F92-I96 HydrophobicContact CZ-CD1 4.26Å; F92-I96 WeakPolarHBondContact O-CG1 3.37Å; F92-I96 PolarHBondContact O-N 3.24Å; R93-I96 PolarHBondContact O-N 3.06Å; I96-K98 VanDerWaalsContact C-N 3.29Å; I96-K98 PolarHBondContact O-N 3.41Å
97N56.7Low48.3Very low112 Ų11284.5 Ų84.560%0.59948%0.479SS*.G310 helixtrans-73.8-16.2179-68.1-8.1000113.9R93 I95 R99R93-N97 PolarHBondContact O-N 3.41Å; I95-N97 VanDerWaalsContact C-N 3.27Å; I95-N97 PolarHBondContact O-N 3.48Å; N97-R99 VanDerWaalsContact C-N 3.34Å
98K55.8Low47.3Very low113 Ų11385 Ų8549%0.49149%0.488SS..G310 helixtrans-83.7-7.2-177.3-123.7-177.8171.2-165.80113.8A43 K94 I95 I96 E100A43-K98 WeakPolarHBondContact O-CD 3.31Å; A43-K98 PolarHBondContact O-NZ 3Å; K94-K98 PolarHBondContact O-N 2.9Å; I95-K98 WeakPolarHBondContact O-CB 3.37Å; I95-K98 PolarHBondContact O-N 3.43Å; I96-K98 VanDerWaalsContact C-N 3.29Å; I96-K98 PolarHBondContact O-N 3.41Å; K98-E100 VanDerWaalsContact C-N 3.26Å; K98-E100 PolarHBondContact O-N 3.37Å
99R50.8Low46.4Very low60 Ų6085.5 Ų85.523%0.22650%0.499CS..G310 helixtrans-80.30.4-178.4-151.2177.7-167.1-164.5-2.2113.6K22 E42 N97 G101K22-R99 PolarHBondContact O-NH1 2.99Å; E42-R99 IonicContact OE2-CZ 2.63Å; E42-R99 VanDerWaalsContact OE2-CZ 3.25Å; E42-R99 IonicContact OE2-NE 2.8Å; E42-R99 PolarHBondContact OE2-NE 2.86Å; E42-R99 IonicContact OE2-NH2 3.65Å; E42-R99 PolarHBondContact OE2-NH2 2.84Å; N97-R99 VanDerWaalsContact C-N 3.34Å; R99-G101 PolarHBondContact O-N 3.32Å
100E40.5Very low45.1Very low169 Ų16989.1 Ų89.179%0.7952%0.524SS*.THydrogen-bonded Turntrans-71.3118.8173-73.3-174.8160.300110.9K98K98-E100 VanDerWaalsContact C-N 3.26Å; K98-E100 PolarHBondContact O-N 3.37Å
101G44.7Very low43.7Very low80 Ų8089.7 Ų89.783%0.82553%0.532SS*.THydrogen-bonded Turntrans122.1-2.1172.500000116.4R99R99-G101 PolarHBondContact O-N 3.32Å
102I43Very low42.6Very low71 Ų7190.1 Ų90.136%0.36454%0.539SS..  trans-95.8117.6179.9-72.5171.7000110.1E42 A104E42-I102 HydrophobicContact CG-CD1 3.91Å; I102-A104 PolarHBondContact O-N 3.33Å
103T35.7Very low41.1Very low84 Ų8496 Ų9652%0.51558%0.58SS.*  trans-78.7108173.345.80000110.9
104A33.6Very low39.6Very low59 Ų5998.1 Ų98.149%0.48860%0.595SS.*  trans-83.3122.7170.400000110.7I102I102-A104 PolarHBondContact O-N 3.33Å
105I33.9Very low37.9Very low142 Ų14293.5 Ų93.573%0.72859%0.59SS**  trans-112.8113.7170.8-62.9173.8000108
106G29.9Very low36.6Very low69 Ų6996.2 Ų96.271%0.71161%0.607SS**  trans-80.1133.117400000111.6
107G27Very low35.4Very low77 Ų77100 Ų10079%0.79462%0.624SS**  trans-134.9119.7178.200000111.3
108T30.1Very low34.8Very low146 Ų14699.4 Ų99.490%0.89662%0.618SS**  trans-82.7109.8-178.349.90000111.7
109S29Very low34.5Very low96 Ų9696 Ų9667%0.67161%0.609SS**  trans-169.3126.7151.648.10000111.8
110S28.3Very low35.3Very low92 Ų9295.3 Ų95.364%0.64361%0.606SS**THydrogen-bonded Turntrans-67.5125.6178.849.90000112.3E114S110-E114 WeakPolarHBondContact CA-OE1 3.36Å
111I28.1Very low37.2Very low165 Ų16588.5 Ų88.585%0.84658%0.577SS**THydrogen-bonded Turntrans134.41.6157.2-63.5153.7000115.5
112S31.3Very low39Very low81 Ų8188 Ų8857%0.56655%0.553SS**SBendtrans-109.1117.2166480000110.1E114S112-E114 VanDerWaalsContact C-N 3.34Å; S112-E114 VanDerWaalsContact O-CA 3.29Å; S112-E114 WeakPolarHBondContact O-CA 3.28Å; S112-E114 WeakPolarHBondContact O-CG 3.45Å; S112-E114 PolarHBondContact O-N 2.97Å
113S28.1Very low41Very low128 Ų12888.9 Ų88.990%0.89556%0.556SS**  trans8.576.4163.5-39.20000113.7
114E28.6Very low43.4Very low150 Ų15086.5 Ų86.570%0.70154%0.539SS*.THydrogen-bonded Turntrans-76125.1-159.9-72.6175.8142.800111.6S110 S112S110-E114 WeakPolarHBondContact CA-OE1 3.36Å; S112-E114 VanDerWaalsContact C-N 3.34Å; S112-E114 VanDerWaalsContact O-CA 3.29Å; S112-E114 WeakPolarHBondContact O-CA 3.28Å; S112-E114 WeakPolarHBondContact O-CG 3.45Å; S112-E114 PolarHBondContact O-N 2.97Å
115G24.9Very low46.2Very low55 Ų5583.9 Ų83.957%0.56752%0.517SS*.THydrogen-bonded Turntrans151-29158.800000117.1Q117G115-Q117 PolarHBondContact O-N 3.14Å; G115-Q117 VanDerWaalsContact O-N 3.14Å
116T31.9Very low48.9Very low63 Ų6378.5 Ų78.539%0.38749%0.49SS..  trans-82.4103.9-169.5-29.30000111.8Y34 H118Y34-T116 PolarHBondContact OH-OG1 3.03Å; T116-H118 PolarHBondContact O-CD2 3.48Å; T116-H118 PolarHBondContact O-N 3.38Å; T116-H118 VanDerWaalsContact O-N 3.16Å
117Q32.6Very low51.8Low87 Ų8775.4 Ų75.441%0.40746%0.458SS..  trans-64.9109.5162.1-71.8-177.5-5.900108.1G115 S119G115-Q117 PolarHBondContact O-N 3.14Å; G115-Q117 VanDerWaalsContact O-N 3.14Å; Q117-S119 PolarHBondContact O-N 3.26Å
118H43.4Very low54.9Low101 Ų10171.7 Ų71.747%0.46842%0.42SS..  trans-90.8100177.9-68.5-67.5000110.3T116 H224T116-H118 PolarHBondContact O-CD2 3.48Å; T116-H118 PolarHBondContact O-N 3.38Å; T116-H118 VanDerWaalsContact O-N 3.16Å; H118-H224 HydrophobicContact CB-CB 3.85Å; H118-H224 VanDerWaalsContact CB-ND1 3.26Å; H118-H224 WeakPolarHBondContact CB-ND1 3.41Å; H118-H224 AromaticContact CD2-CD2 3.8Å; H118-H224 AromaticContact CD2-CE1 3.45Å; H118-H224 PolarHBondContact CD2-CE1 2.87Å; H118-H224 VanDerWaalsContact CD2-CE1 3.45Å; H118-H224 AromaticContact CD2-NE2 3.25Å; H118-H224 PolarHBondContact CD2-NE2 3.1Å; H118-H224 VanDerWaalsContact CD2-NE2 3.25Å; H118-H224 AromaticContact CG-CD2 3.53Å; H118-H224 AromaticContact CG-CE1 3.65Å; H118-H224 AromaticContact CG-CG 3.76Å; H118-H224 AromaticContact CG-ND1 3.82Å; H118-H224 AromaticContact CG-NE2 3.48Å; H118-H224 AromaticContact ND1-CD2 3.91Å; H118-H224 AromaticContact NE2-NE2 3.8Å
119S50.1Low58Low42 Ų4264.8 Ų64.829%0.29438%0.377SS..  trans-66.4146.2168.251.90000111.4E42 Q117E42-S119 PolarHBondContact OE1-OG 2.89Å; E42-S119 VanDerWaalsContact OE1-OG 3.1Å; Q117-S119 PolarHBondContact O-N 3.26Å
120Y66.2Low61Low44 Ų4463.9 Ų63.917%0.17337%0.365CS..  trans-136.3150.3174.871.5-86.9000110.3E122 K125 F156 P223 L227Y120-E122 WeakPolarHBondContact CE2-OE1 3.38Å; Y120-E122 PolarHBondContact OH-OE1 3.36Å; Y120-K125 HydrophobicContact CE2-CD 4.33Å; Y120-F156 HydrophobicContact CD2-CZ 4.24Å; Y120-F156 HydrophobicContact CE2-CE2 4.07Å; Y120-F156 AromaticContact CE2-CZ 3.73Å; Y120-F156 HydrophobicContact CE2-CZ 3.73Å; Y120-P223 HydrophobicContact CD1-CB 3.3Å; Y120-P223 HydrophobicContact CD1-CG 4.03Å; Y120-P223 HydrophobicContact CD2-CB 4.04Å; Y120-P223 HydrophobicContact CE1-CB 3.44Å; Y120-P223 VanDerWaalsContact CE1-CB 3.44Å; Y120-P223 HydrophobicContact CE1-CG 3.71Å; Y120-P223 HydrophobicContact CE2-CB 4.13Å; Y120-P223 HydrophobicContact CG-CB 3.61Å; Y120-L227 HydrophobicContact CD2-CD1 3.37Å; Y120-L227 HydrophobicContact CE2-CD1 4.23Å; Y120-L227 HydrophobicContact CG-CD1 3.95Å
121S80.3Confident64Low26 Ų2660.9 Ų60.918%0.18234%0.34CS..  trans-81.3121.5-178.1166.60000110.5E123 E124 K125S121-E123 VanDerWaalsContact C-N 3.27Å; S121-E123 PolarHBondContact OG-N 2.92Å; S121-E123 PolarHBondContact OG-OE2 3.34Å; S121-E124 PolarHBondContact O-N 3.23Å; S121-E124 WeakPolarHBondContact OG-CG 3.27Å; S121-E124 PolarHBondContact OG-N 2.87Å; S121-E124 VanDerWaalsContact OG-N 3.13Å; S121-K125 PolarHBondContact O-N 2.91Å
122E82.9Confident67.2Low69 Ų6953 Ų5332%0.32230%0.299SS..Hα-helixtrans-64.9-35.6173.1-78.3-67.2111.700111.2Y120 E124 K125 V126Y120-E122 WeakPolarHBondContact CE2-OE1 3.38Å; Y120-E122 PolarHBondContact OH-OE1 3.36Å; E122-E124 PolarHBondContact O-N 3.35Å; E122-K125 WeakPolarHBondContact O-CB 3.1Å; E122-K125 PolarHBondContact O-N 3.4Å; E122-K125 IonicContact OE1-NZ 2.82Å; E122-K125 PolarHBondContact OE1-NZ 2.86Å; E122-K125 WeakPolarHBondContact OE2-CE 3.37Å; E122-K125 IonicContact OE2-NZ 2.83Å; E122-K125 PolarHBondContact OE2-NZ 3.32Å; E122-V126 WeakPolarHBondContact O-CG2 3.3Å; E122-V126 PolarHBondContact O-N 3.02Å
123E84.8Confident70.2Confident91 Ų9150.2 Ų50.243%0.42528%0.278SS..Hα-helixtrans-60-45.9176-58.475.8-162.400111.1S121 K125 V126 A127 D355 L363S121-E123 VanDerWaalsContact C-N 3.27Å; S121-E123 PolarHBondContact OG-N 2.92Å; S121-E123 PolarHBondContact OG-OE2 3.34Å; E123-K125 PolarHBondContact O-N 3.47Å; E123-V126 PolarHBondContact O-N 3.02Å; E123-A127 WeakPolarHBondContact O-CB 3.47Å; E123-A127 PolarHBondContact O-N 2.96Å; E123-D355 VanDerWaalsContact CB-OD1 3.24Å; E123-D355 WeakPolarHBondContact CB-OD1 3.27Å; E123-D355 WeakPolarHBondContact CG-OD1 3.37Å; E123-L363 HydrophobicContact CB-CD1 4.05Å
124E87.4Confident73.2Confident33 Ų3348.6 Ų48.615%0.15426%0.255CS..Hα-helixtrans-62.6-42.2175.8-70.3-179.2-176.600112.2S121 E122 A127 F128 K362 L363S121-E124 PolarHBondContact O-N 3.23Å; S121-E124 WeakPolarHBondContact OG-CG 3.27Å; S121-E124 PolarHBondContact OG-N 2.87Å; S121-E124 VanDerWaalsContact OG-N 3.13Å; E122-E124 PolarHBondContact O-N 3.35Å; E124-A127 PolarHBondContact O-N 3.41Å; E124-F128 HydrophobicContact CB-CE2 4.15Å; E124-F128 HydrophobicContact CB-CZ 4.22Å; E124-F128 WeakPolarHBondContact O-CB 3.27Å; E124-F128 WeakPolarHBondContact O-CD2 3.39Å; E124-F128 WeakPolarHBondContact O-CG 3.39Å; E124-F128 PolarHBondContact O-N 3.02Å; E124-K362 HydrophobicContact CG-CD 4.19Å; E124-K362 WeakPolarHBondContact OE1-CD 3.49Å; E124-K362 IonicContact OE1-NZ 2.76Å; E124-K362 PolarHBondContact OE1-NZ 3.38Å; E124-K362 IonicContact OE2-NZ 2.68Å; E124-K362 PolarHBondContact OE2-NZ 3.4Å; E124-L363 HydrophobicContact CG-CD2 4.27Å; E124-L363 HydrophobicContact CG-CG 4.49Å
125K92.1Very high76.2Confident4 Ų443.3 Ų43.32%0.01724%0.237CC..Hα-helixtrans-58.5-51.1176.2-178.1-173.470.8-165.90110.9Y120 S121 E122 E123 A127 F128 V129 P150 L155 F156 L227Y120-K125 HydrophobicContact CE2-CD 4.33Å; S121-K125 PolarHBondContact O-N 2.91Å; E122-K125 WeakPolarHBondContact O-CB 3.1Å; E122-K125 PolarHBondContact O-N 3.4Å; E122-K125 IonicContact OE1-NZ 2.82Å; E122-K125 PolarHBondContact OE1-NZ 2.86Å; E122-K125 WeakPolarHBondContact OE2-CE 3.37Å; E122-K125 IonicContact OE2-NZ 2.83Å; E122-K125 PolarHBondContact OE2-NZ 3.32Å; E123-K125 PolarHBondContact O-N 3.47Å; K125-A127 VanDerWaalsContact C-N 3.33Å; K125-A127 PolarHBondContact O-N 3.49Å; K125-F128 PolarHBondContact O-N 3.14Å; K125-V129 WeakPolarHBondContact O-CG2 3.49Å; K125-V129 PolarHBondContact O-N 2.89Å; K125-P150 WeakPolarHBondContact CE-O 3.36Å; K125-L155 HydrophobicContact CG-CD2 3.9Å; K125-F156 HydrophobicContact CD-CE2 3.78Å; K125-F156 HydrophobicContact CD-CZ 3.88Å; K125-F156 HydrophobicContact CG-CZ 4.3Å; K125-L227 HydrophobicContact CB-CD1 4.41Å; K125-L227 HydrophobicContact CB-CD2 4.21Å
126V90.4Very high79.5Confident29 Ų2941.2 Ų41.218%0.17621%0.212CC..Hα-helixtrans-58.7-46.9179.4169.20000110.6E122 E123 V129 N130 P150E122-V126 WeakPolarHBondContact O-CG2 3.3Å; E122-V126 PolarHBondContact O-N 3.02Å; E123-V126 PolarHBondContact O-N 3.02Å; V126-V129 PolarHBondContact O-N 3.4Å; V126-N130 WeakPolarHBondContact O-CB 3.16Å; V126-N130 VanDerWaalsContact O-CG 3.28Å; V126-N130 PolarHBondContact O-N 2.85Å; V126-N130 VanDerWaalsContact O-N 3.08Å; V126-N130 PolarHBondContact O-ND2 3.35Å; V126-N130 VanDerWaalsContact O-ND2 3.13Å; V126-P150 HydrophobicContact CB-CB 4.32Å; V126-P150 HydrophobicContact CG1-CB 4.08Å; V126-P150 HydrophobicContact CG2-CB 4.26Å; V126-P150 WeakPolarHBondContact CG2-O 3.33Å
127A89.7Confident82.4Confident4 Ų443.7 Ų43.73%0.03322%0.22CC..Hα-helixtrans-58.7-48.8178.400000112.5E123 E124 K125 N130 W131 F350 L363E123-A127 WeakPolarHBondContact O-CB 3.47Å; E123-A127 PolarHBondContact O-N 2.96Å; E124-A127 PolarHBondContact O-N 3.41Å; K125-A127 VanDerWaalsContact C-N 3.33Å; K125-A127 PolarHBondContact O-N 3.49Å; A127-N130 PolarHBondContact O-N 3.29Å; A127-W131 WeakPolarHBondContact O-CB 2.87Å; A127-W131 PolarHBondContact O-N 3.13Å; A127-F350 WeakPolarHBondContact CB-O 3.24Å; A127-L363 HydrophobicContact CB-CD1 4.23Å; A127-L363 HydrophobicContact CB-CD2 3.62Å
128F93.6Very high85.3Confident0 Ų045.7 Ų45.70%023%0.233CC..Hα-helixtrans-68-41.2-178.9-61.8-16.5000112E124 K125 N130 W131 I132 L227 L230 W231 I234 L363E124-F128 HydrophobicContact CB-CE2 4.15Å; E124-F128 HydrophobicContact CB-CZ 4.22Å; E124-F128 WeakPolarHBondContact O-CB 3.27Å; E124-F128 WeakPolarHBondContact O-CD2 3.39Å; E124-F128 WeakPolarHBondContact O-CG 3.39Å; E124-F128 PolarHBondContact O-N 3.02Å; K125-F128 PolarHBondContact O-N 3.14Å; F128-N130 PolarHBondContact O-N 2.92Å; F128-W131 PolarHBondContact O-N 3.33Å; F128-I132 WeakPolarHBondContact O-CB 3.36Å; F128-I132 WeakPolarHBondContact O-CD1 3.18Å; F128-I132 WeakPolarHBondContact O-CG1 3.14Å; F128-I132 PolarHBondContact O-N 3.12Å; F128-L227 HydrophobicContact CD2-CD2 3.66Å; F128-L227 HydrophobicContact CE2-CB 4.5Å; F128-L227 HydrophobicContact CE2-CD2 4.1Å; F128-L230 HydrophobicContact CD2-CB 4.31Å; F128-W231 AromaticContact CE1-CE3 3.88Å; F128-W231 HydrophobicContact CE1-CE3 3.88Å; F128-W231 HydrophobicContact CE1-CZ3 4.46Å; F128-W231 HydrophobicContact CE2-CB 4.15Å; F128-W231 HydrophobicContact CZ-CB 3.87Å; F128-W231 HydrophobicContact CZ-CD2 4.42Å; F128-W231 AromaticContact CZ-CE3 3.82Å; F128-W231 HydrophobicContact CZ-CE3 3.82Å; F128-W231 HydrophobicContact CZ-CG 4.49Å; F128-I234 HydrophobicContact CB-CD1 4.34Å; F128-I234 HydrophobicContact CD1-CD1 3.61Å; F128-I234 HydrophobicContact CD2-CD1 4.48Å; F128-I234 HydrophobicContact CE1-CD1 4.03Å; F128-I234 HydrophobicContact CG-CD1 3.89Å; F128-L363 HydrophobicContact CE1-CD2 4.36Å
129V94.6Very high87.7Confident0 Ų042.1 Ų42.10%022%0.217CC..Hα-helixtrans-59.3-48.4176.1168.70000111.1K125 V126 W131 I132 N133 M148 P150 L155K125-V129 WeakPolarHBondContact O-CG2 3.49Å; K125-V129 PolarHBondContact O-N 2.89Å; V126-V129 PolarHBondContact O-N 3.4Å; V129-W131 VanDerWaalsContact C-N 3.31Å; V129-W131 PolarHBondContact O-N 3.32Å; V129-I132 PolarHBondContact O-N 3.34Å; V129-N133 WeakPolarHBondContact O-CB 3.37Å; V129-N133 PolarHBondContact O-N 2.91Å; V129-N133 PolarHBondContact O-ND2 3.13Å; V129-M148 HydrophobicContact CG1-CB 3.82Å; V129-P150 HydrophobicContact CB-CB 4.02Å; V129-P150 HydrophobicContact CG1-CB 3.83Å; V129-L155 HydrophobicContact CG2-CB 3.69Å; V129-L155 HydrophobicContact CG2-CD1 3.94Å; V129-L155 HydrophobicContact CG2-CD2 4.08Å; V129-L155 HydrophobicContact CG2-CG 4.1Å
130N91.5Very high89.8Confident77 Ų7744.4 Ų44.441%0.41223%0.231SC..Hα-helixtrans-61.6-41.8179.8-72-29.9000111.8V126 A127 F128 K134V126-N130 WeakPolarHBondContact O-CB 3.16Å; V126-N130 VanDerWaalsContact O-CG 3.28Å; V126-N130 PolarHBondContact O-N 2.85Å; V126-N130 VanDerWaalsContact O-N 3.08Å; V126-N130 PolarHBondContact O-ND2 3.35Å; V126-N130 VanDerWaalsContact O-ND2 3.13Å; A127-N130 PolarHBondContact O-N 3.29Å; F128-N130 PolarHBondContact O-N 2.92Å; N130-K134 PolarHBondContact O-N 2.8Å
131W91.4Very high91Very high29 Ų2944 Ų4411%0.1123%0.232CC..Hα-helixtrans-66.8-47.3177.5-178.981000112.2A127 F128 V129 N133 K134 A135 M168 L171 I234 F350A127-W131 WeakPolarHBondContact O-CB 2.87Å; A127-W131 PolarHBondContact O-N 3.13Å; F128-W131 PolarHBondContact O-N 3.33Å; V129-W131 VanDerWaalsContact C-N 3.31Å; V129-W131 PolarHBondContact O-N 3.32Å; W131-N133 VanDerWaalsContact C-N 3.32Å; W131-N133 PolarHBondContact O-N 3.18Å; W131-K134 PolarHBondContact O-N 3.25Å; W131-A135 HydrophobicContact CZ2-CB 4.35Å; W131-A135 VanDerWaalsContact O-CB 3.29Å; W131-A135 WeakPolarHBondContact O-CB 3.41Å; W131-A135 PolarHBondContact O-N 3.19Å; W131-M168 HydrophobicContact CE3-CE 4.05Å; W131-M168 HydrophobicContact CH2-CE 3.48Å; W131-M168 VanDerWaalsContact CH2-CE 3.48Å; W131-M168 HydrophobicContact CZ3-CE 3.04Å; W131-L171 HydrophobicContact CH2-CD2 3.68Å; W131-L171 HydrophobicContact CZ2-CD2 4.03Å; W131-L171 HydrophobicContact CZ3-CD2 4.47Å; W131-I234 HydrophobicContact CE3-CD1 3.85Å; W131-I234 HydrophobicContact CE3-CG1 3.93Å; W131-I234 HydrophobicContact CH2-CG1 4.05Å; W131-I234 HydrophobicContact CZ3-CB 4.45Å; W131-I234 HydrophobicContact CZ3-CD1 3.85Å; W131-I234 HydrophobicContact CZ3-CG1 3.42Å; W131-I234 VanDerWaalsContact CZ3-CG1 3.42Å; W131-I234 HydrophobicContact CZ3-CG2 4.47Å; W131-F350 HydrophobicContact CB-CD1 4.41Å; W131-F350 HydrophobicContact CB-CE1 3.98Å; W131-F350 HydrophobicContact CB-CZ 4.38Å; W131-F350 AromaticContact CD1-CE1 3.63Å; W131-F350 AromaticContact CD1-CE2 3.63Å; W131-F350 AromaticContact CD1-CZ 3.14Å; W131-F350 AromaticContact CD2-CE1 3.97Å; W131-F350 HydrophobicContact CD2-CE1 3.97Å; W131-F350 AromaticContact CD2-CZ 3.92Å; W131-F350 HydrophobicContact CD2-CZ 3.92Å; W131-F350 AromaticContact CE2-CZ 3.79Å; W131-F350 HydrophobicContact CG-CD1 4.41Å; W131-F350 AromaticContact CG-CE1 3.57Å; W131-F350 HydrophobicContact CG-CE1 3.57Å; W131-F350 HydrophobicContact CG-CE2 4.39Å; W131-F350 AromaticContact CG-CZ 3.58Å; W131-F350 HydrophobicContact CG-CZ 3.58Å; W131-F350 AromaticContact NE1-CE2 3.9Å; W131-F350 AromaticContact NE1-CZ 3.3Å; W131-F350 VanDerWaalsContact NE1-CZ 3.3Å
132I94.8Very high91.6Very high0 Ų042.8 Ų42.80%022%0.224CC..Hα-helixtrans-60-43.5177.7-68.1166.6000110.8F128 V129 K134 A135 L136 I146 M148 L155 L164 M168 L230F128-I132 WeakPolarHBondContact O-CB 3.36Å; F128-I132 WeakPolarHBondContact O-CD1 3.18Å; F128-I132 WeakPolarHBondContact O-CG1 3.14Å; F128-I132 PolarHBondContact O-N 3.12Å; V129-I132 PolarHBondContact O-N 3.34Å; I132-K134 VanDerWaalsContact C-N 3.27Å; I132-K134 PolarHBondContact O-N 3.25Å; I132-A135 PolarHBondContact O-N 3.31Å; I132-L136 HydrophobicContact CG2-CD1 4.2Å; I132-L136 PolarHBondContact O-N 3.21Å; I132-I146 HydrophobicContact CG2-CD1 4Å; I132-M148 HydrophobicContact CB-CE 3.92Å; I132-M148 HydrophobicContact CD1-CE 4.31Å; I132-M148 HydrophobicContact CG2-CE 3.5Å; I132-L155 HydrophobicContact CD1-CD1 3.91Å; I132-L164 HydrophobicContact CG2-CD1 3.87Å; I132-L164 HydrophobicContact CG2-CD2 4.47Å; I132-M168 HydrophobicContact CG1-CE 4.14Å; I132-M168 HydrophobicContact CG1-SD 3.97Å; I132-M168 HydrophobicContact CG2-SD 4.08Å; I132-L230 HydrophobicContact CD1-CD1 4.3Å; I132-L230 HydrophobicContact CD1-CD2 4.28Å
133N94.5Very high91.9Very high22 Ų2246.4 Ų46.412%0.11824%0.238CC..Hα-helixtrans-57.7-41.5178.4-78.5-18.2000112.2V129 W131 E137 I146 P147 M148V129-N133 WeakPolarHBondContact O-CB 3.37Å; V129-N133 PolarHBondContact O-N 2.91Å; V129-N133 PolarHBondContact O-ND2 3.13Å; W131-N133 VanDerWaalsContact C-N 3.32Å; W131-N133 PolarHBondContact O-N 3.18Å; N133-E137 WeakPolarHBondContact O-CA 3.44Å; N133-E137 WeakPolarHBondContact O-CB 3.12Å; N133-E137 PolarHBondContact O-N 3.26Å; N133-I146 HydrophobicContact CB-CG2 4.33Å; N133-I146 WeakPolarHBondContact O-CG2 3.35Å; N133-I146 WeakPolarHBondContact OD1-CD1 3.47Å; N133-P147 WeakPolarHBondContact OD1-CA 3.4Å; N133-M148 PolarHBondContact ND2-N 3.1Å; N133-M148 PolarHBondContact ND2-O 3.26Å; N133-M148 PolarHBondContact OD1-N 3.46Å
134K91.4Very high92Very high95 Ų9548.2 Ų48.241%0.41325%0.246SC..Hα-helixtrans-73.7-45.8177.5-173.4176.6-178.2-176.90111.7N130 W131 I132 L136 E137 G346N130-K134 PolarHBondContact O-N 2.8Å; W131-K134 PolarHBondContact O-N 3.25Å; I132-K134 VanDerWaalsContact C-N 3.27Å; I132-K134 PolarHBondContact O-N 3.25Å; K134-L136 VanDerWaalsContact C-N 3.34Å; K134-L136 PolarHBondContact O-N 3.15Å; K134-E137 WeakPolarHBondContact O-CG 3.28Å; K134-G346 PolarHBondContact NZ-O 3.25Å
135A91.7Very high92.1Very high38 Ų3848 Ų4831%0.31425%0.247SC..Hα-helixtrans-64-36-17700000113.6W131 I132 L171W131-A135 HydrophobicContact CZ2-CB 4.35Å; W131-A135 VanDerWaalsContact O-CB 3.29Å; W131-A135 WeakPolarHBondContact O-CB 3.41Å; W131-A135 PolarHBondContact O-N 3.19Å; I132-A135 PolarHBondContact O-N 3.31Å; A135-L171 HydrophobicContact CB-CD2 3.59Å
136L94.2Very high92Very high11 Ų1149 Ų496%0.05825%0.252CS..THydrogen-bonded Turntrans-110.916.2-176.7-62-176.8000113.5I132 K134 N138 D139 I146 L164 K167 M168 L171I132-L136 HydrophobicContact CG2-CD1 4.2Å; I132-L136 PolarHBondContact O-N 3.21Å; K134-L136 VanDerWaalsContact C-N 3.34Å; K134-L136 PolarHBondContact O-N 3.15Å; L136-N138 PolarHBondContact O-N 2.86Å; L136-N138 VanDerWaalsContact O-N 3.1Å; L136-D139 HydrophobicContact CB-CB 4.25Å; L136-D139 HydrophobicContact CD2-CB 4.23Å; L136-D139 PolarHBondContact O-N 3.17Å; L136-D139 VanDerWaalsContact O-N 3.07Å; L136-I146 HydrophobicContact CB-CG1 4.43Å; L136-L164 HydrophobicContact CD1-CD1 3.35Å; L136-K167 HydrophobicContact CD1-CB 4.14Å; L136-K167 HydrophobicContact CD2-CB 4.43Å; L136-M168 HydrophobicContact CD1-SD 3.48Å; L136-M168 WeakPolarHBondContact CD1-SD 3.29Å; L136-M168 HydrophobicContact CG-SD 4.1Å; L136-L171 HydrophobicContact CD2-CD2 4.49Å
137E93.4Very high92.2Very high116 Ų11653 Ų5354%0.54228%0.278SS..THydrogen-bonded Turntrans-55.1-33.1-178.369.6179.3-164.500112.8N133 K134N133-E137 WeakPolarHBondContact O-CA 3.44Å; N133-E137 WeakPolarHBondContact O-CB 3.12Å; N133-E137 PolarHBondContact O-N 3.26Å; K134-E137 WeakPolarHBondContact O-CG 3.28Å
138N93.3Very high92.5Very high128 Ų12853.1 Ų53.168%0.68428%0.278SS*.THydrogen-bonded Turntrans-101.6-0.7-176.3-65.9-50.9000113.3L136L136-N138 PolarHBondContact O-N 2.86Å; L136-N138 VanDerWaalsContact O-N 3.1Å
139D94.6Very high92.5Very high26 Ų2656.4 Ų56.414%0.13930%0.296CS..  trans-72.7121.2-178.5-177.6-86.8000110.8L136 D141 C142 K143 K167L136-D139 HydrophobicContact CB-CB 4.25Å; L136-D139 HydrophobicContact CD2-CB 4.23Å; L136-D139 PolarHBondContact O-N 3.17Å; L136-D139 VanDerWaalsContact O-N 3.07Å; D139-D141 VanDerWaalsContact C-N 3.27Å; D139-D141 PolarHBondContact O-N 3.15Å; D139-D141 WeakPolarHBondContact OD1-CA 3.24Å; D139-D141 WeakPolarHBondContact OD1-CB 3.48Å; D139-D141 PolarHBondContact OD1-N 3.16Å; D139-C142 HydrophobicContact CB-CB 4.23Å; D139-C142 PolarHBondContact O-N 3.02Å; D139-C142 PolarHBondContact OD1-N 3.47Å; D139-C142 PolarHBondContact OD1-SG 3.41Å; D139-C142 VanDerWaalsContact OD1-SG 3.33Å; D139-K143 WeakPolarHBondContact O-CG 3.33Å; D139-K143 PolarHBondContact O-N 2.93Å; D139-K167 IonicContact OD1-NZ 2.65Å; D139-K167 WeakPolarHBondContact OD2-CE 3.48Å; D139-K167 IonicContact OD2-NZ 3.61Å; D139-K167 PolarHBondContact OD2-NZ 3.13Å
140P93.1Very high92.3Very high90 Ų9057.5 Ų57.558%0.58430%0.303SS*.THydrogen-bonded Turntrans-65.9-27-173.326.4-34.9000113.8
141D91.9Very high92.3Very high37 Ų3759.7 Ų59.720%0.19832%0.315CS..THydrogen-bonded Turntrans-83.2-29-177.7-57.4-55000111.3D139 H144 I163 K167 K184D139-D141 VanDerWaalsContact C-N 3.27Å; D139-D141 PolarHBondContact O-N 3.15Å; D139-D141 WeakPolarHBondContact OD1-CA 3.24Å; D139-D141 WeakPolarHBondContact OD1-CB 3.48Å; D139-D141 PolarHBondContact OD1-N 3.16Å; D141-H144 PolarHBondContact O-CE1 3.4Å; D141-H144 PolarHBondContact O-ND1 3.09Å; D141-I163 HydrophobicContact CB-CG2 4.31Å; D141-K167 WeakPolarHBondContact OD2-CE 3.35Å; D141-K167 IonicContact OD2-NZ 3.58Å; D141-K167 PolarHBondContact OD2-NZ 3.45Å; D141-K184 WeakPolarHBondContact OD1-CD 2.91Å; D141-K184 IonicContact OD1-NZ 2.65Å; D141-K184 WeakPolarHBondContact OD2-CE 3.42Å; D141-K184 IonicContact OD2-NZ 3.32Å; D141-K184 PolarHBondContact OD2-NZ 2.69Å
142C92Very high92.3Very high0 Ų061.4 Ų61.40%033%0.326CS..THydrogen-bonded Turntrans-90.8-2.4-179.6-57.80000114.5D139 H144 L145 I146D139-C142 HydrophobicContact CB-CB 4.23Å; D139-C142 PolarHBondContact O-N 3.02Å; D139-C142 PolarHBondContact OD1-N 3.47Å; D139-C142 PolarHBondContact OD1-SG 3.41Å; D139-C142 VanDerWaalsContact OD1-SG 3.33Å; C142-H144 PolarHBondContact O-N 3.14Å; C142-L145 PolarHBondContact O-N 3.34Å; C142-I146 HydrophobicContact CB-CG1 3.98Å; C142-I146 PolarHBondContact O-N 3.24Å
143K88.9Confident92.1Very high145 Ų14565.2 Ų65.263%0.6335%0.346SS*.THydrogen-bonded Turntrans-53.2-26.3-179.6-75.2-173.8176.9-179.10115.5D139 L145D139-K143 WeakPolarHBondContact O-CG 3.33Å; D139-K143 PolarHBondContact O-N 2.93Å; K143-L145 VanDerWaalsContact C-N 3.35Å
144H87.2Confident92Very high128 Ų12865.2 Ų65.259%0.59335%0.348SS*.THydrogen-bonded Turntrans-85.3-10.6179.770.8-77.8000113.3D141 C142D141-H144 PolarHBondContact O-CE1 3.4Å; D141-H144 PolarHBondContact O-ND1 3.09Å; C142-H144 PolarHBondContact O-N 3.14Å
145L89.4Confident92.2Very high30 Ų3060.7 Ų60.716%0.15733%0.328CS..THydrogen-bonded Turntrans-107.9-32.2-180-57.6175.3000112C142 K143 P147 M148 L164C142-L145 PolarHBondContact O-N 3.34Å; K143-L145 VanDerWaalsContact C-N 3.35Å; L145-P147 CarbonylContact O-C 3.54Å; L145-M148 VanDerWaalsContact O-CG 3.3Å; L145-M148 WeakPolarHBondContact O-CG 3.48Å; L145-M148 PolarHBondContact O-N 2.9Å; L145-L164 HydrophobicContact CD1-CB 4.22Å
146I91.3Very high92.3Very high24 Ų2459.4 Ų59.412%0.12332%0.316CS..PPolyproline II helixtrans-98.7132.9-174.3-55-58.2000110.5I132 N133 L136 C142 M148I132-I146 HydrophobicContact CG2-CD1 4Å; N133-I146 HydrophobicContact CB-CG2 4.33Å; N133-I146 WeakPolarHBondContact O-CG2 3.35Å; N133-I146 WeakPolarHBondContact OD1-CD1 3.47Å; L136-I146 HydrophobicContact CB-CG1 4.43Å; C142-I146 HydrophobicContact CB-CG1 3.98Å; C142-I146 PolarHBondContact O-N 3.24Å; I146-M148 HydrophobicContact CD1-CE 3.9Å; I146-M148 HydrophobicContact CD1-CG 4.28Å
147P94.2Very high92.2Very high112 Ų11266.4 Ų66.473%0.72735%0.345SS*.SBendcis-82.8135.8132.7-33.7000113.6N133 L145N133-P147 WeakPolarHBondContact OD1-CA 3.4Å; L145-P147 CarbonylContact O-C 3.54Å
148M95.4Very high92.3Very high7 Ų761.5 Ų61.53%0.03432%0.324CS..PPolyproline II helixtrans-76.1152.9166.6-65.3178.3-66.200110.6V129 I132 N133 L145 I146 L155 S158 L164V129-M148 HydrophobicContact CG1-CB 3.82Å; I132-M148 HydrophobicContact CB-CE 3.92Å; I132-M148 HydrophobicContact CD1-CE 4.31Å; I132-M148 HydrophobicContact CG2-CE 3.5Å; N133-M148 PolarHBondContact ND2-N 3.1Å; N133-M148 PolarHBondContact ND2-O 3.26Å; N133-M148 PolarHBondContact OD1-N 3.46Å; L145-M148 VanDerWaalsContact O-CG 3.3Å; L145-M148 WeakPolarHBondContact O-CG 3.48Å; L145-M148 PolarHBondContact O-N 2.9Å; I146-M148 HydrophobicContact CD1-CE 3.9Å; I146-M148 HydrophobicContact CD1-CG 4.28Å; M148-L155 HydrophobicContact CE-CD1 4.02Å; M148-L155 HydrophobicContact SD-CD1 4.16Å; M148-S158 VanDerWaalsContact SD-CB 3.51Å; M148-L164 HydrophobicContact CE-CD2 4.12Å; M148-L164 HydrophobicContact SD-CD2 3.99Å
149N94Very high92.2Very high69 Ų6955.4 Ų55.437%0.36929%0.292SS..PPolyproline II helixtrans-88.5118176.41778.9000110.2N151 D152 S154N149-N151 PolarHBondContact O-N 3.4Å; N149-N151 VanDerWaalsContact O-N 3.14Å; N149-N151 PolarHBondContact OD1-N 2.82Å; N149-N151 VanDerWaalsContact OD1-N 3.1Å; N149-D152 WeakPolarHBondContact CB-OD2 3.41Å; N149-D152 PolarHBondContact ND2-OD2 3.06Å; N149-D152 PolarHBondContact O-N 3.21Å; N149-D152 VanDerWaalsContact O-OD1 3.13Å; N149-S154 PolarHBondContact N-OG 3.26Å; N149-S154 PolarHBondContact O-OG 3.47Å
150P91.2Very high92.1Very high23 Ų2355.3 Ų55.315%0.14929%0.294CS..THydrogen-bonded Turntrans-65.5-18.7-177.525.8-34.7000114K125 V126 V129K125-P150 WeakPolarHBondContact CE-O 3.36Å; V126-P150 HydrophobicContact CB-CB 4.32Å; V126-P150 HydrophobicContact CG1-CB 4.08Å; V126-P150 HydrophobicContact CG2-CB 4.26Å; V126-P150 WeakPolarHBondContact CG2-O 3.33Å; V129-P150 HydrophobicContact CB-CB 4.02Å; V129-P150 HydrophobicContact CG1-CB 3.83Å
151N89.7Confident92.1Very high124 Ų12452.2 Ų52.266%0.66327%0.273SS*.THydrogen-bonded Turntrans-95.45.2-173.2-56-52.9000113.9N149N149-N151 PolarHBondContact O-N 3.4Å; N149-N151 VanDerWaalsContact O-N 3.14Å; N149-N151 PolarHBondContact OD1-N 2.82Å; N149-N151 VanDerWaalsContact OD1-N 3.1Å
152D91.5Very high92.3Very high65 Ų6550.4 Ų50.435%0.34826%0.263SS..SBendtrans-136.6-173.717968.924.5000112.5N149 S154N149-D152 WeakPolarHBondContact CB-OD2 3.41Å; N149-D152 PolarHBondContact ND2-OD2 3.06Å; N149-D152 PolarHBondContact O-N 3.21Å; N149-D152 VanDerWaalsContact O-OD1 3.13Å; D152-S154 PolarHBondContact O-N 2.99Å; D152-S154 WeakPolarHBondContact OD1-CA 3.5Å; D152-S154 WeakPolarHBondContact OD1-CB 3.48Å; D152-S154 PolarHBondContact OD1-N 2.92Å; D152-S154 PolarHBondContact OD1-OG 3.33Å
153D91.1Very high92.5Very high80 Ų8050.6 Ų50.643%0.42826%0.264SS..THydrogen-bonded Turntrans-80.613.6-178.5-61.1-23.7000113.7L155 F156 K157D153-L155 PolarHBondContact O-N 2.92Å; D153-F156 HydrophobicContact CB-CD2 4.04Å; D153-F156 PolarHBondContact O-N 3.04Å; D153-K157 PolarHBondContact O-N 3.38Å
154S93.6Very high92.8Very high22 Ų2243.7 Ų43.715%0.15423%0.234CC..Hα-helixtrans-57.7-34.5-179.157.10000112.4N149 D152 K157 S158N149-S154 PolarHBondContact N-OG 3.26Å; N149-S154 PolarHBondContact O-OG 3.47Å; D152-S154 PolarHBondContact O-N 2.99Å; D152-S154 WeakPolarHBondContact OD1-CA 3.5Å; D152-S154 WeakPolarHBondContact OD1-CB 3.48Å; D152-S154 PolarHBondContact OD1-N 2.92Å; D152-S154 PolarHBondContact OD1-OG 3.33Å; S154-K157 PolarHBondContact O-N 3.31Å; S154-S158 VanDerWaalsContact O-CB 3.26Å; S154-S158 WeakPolarHBondContact O-CB 3.31Å; S154-S158 PolarHBondContact O-N 3.41Å; S154-S158 PolarHBondContact O-OG 3.5Å
155L94.9Very high93.3Very high0 Ų037.7 Ų37.70%021%0.206CC..Hα-helixtrans-54.8-55.1174.2-178.663.8000111.7K125 V129 I132 M148 D153 K157 S158 L159 L227 L230K125-L155 HydrophobicContact CG-CD2 3.9Å; V129-L155 HydrophobicContact CG2-CB 3.69Å; V129-L155 HydrophobicContact CG2-CD1 3.94Å; V129-L155 HydrophobicContact CG2-CD2 4.08Å; V129-L155 HydrophobicContact CG2-CG 4.1Å; I132-L155 HydrophobicContact CD1-CD1 3.91Å; M148-L155 HydrophobicContact CE-CD1 4.02Å; M148-L155 HydrophobicContact SD-CD1 4.16Å; D153-L155 PolarHBondContact O-N 2.92Å; L155-K157 VanDerWaalsContact C-N 3.3Å; L155-K157 PolarHBondContact O-N 3.41Å; L155-S158 PolarHBondContact O-N 3.06Å; L155-L159 HydrophobicContact CD1-CD1 3.92Å; L155-L159 HydrophobicContact CG-CD1 3.99Å; L155-L159 VanDerWaalsContact O-CD1 3.3Å; L155-L159 WeakPolarHBondContact O-CD1 3.49Å; L155-L159 WeakPolarHBondContact O-CG 3.27Å; L155-L159 PolarHBondContact O-N 3.38Å; L155-L227 HydrophobicContact CD2-CD2 3.65Å; L155-L230 HydrophobicContact CD1-CD1 3.96Å; L155-L230 HydrophobicContact CD2-CD1 4.08Å; L155-L230 HydrophobicContact CG-CD1 4.32Å
156F93.9Very high93.7Very high11 Ų1136.3 Ų36.35%0.04820%0.199CC..Hα-helixtrans-64.7-37.3-174.3-53.8-57.3000111.8Y120 K125 D153 P223 V226 L227Y120-F156 HydrophobicContact CD2-CZ 4.24Å; Y120-F156 HydrophobicContact CE2-CE2 4.07Å; Y120-F156 AromaticContact CE2-CZ 3.73Å; Y120-F156 HydrophobicContact CE2-CZ 3.73Å; K125-F156 HydrophobicContact CD-CE2 3.78Å; K125-F156 HydrophobicContact CD-CZ 3.88Å; K125-F156 HydrophobicContact CG-CZ 4.3Å; D153-F156 HydrophobicContact CB-CD2 4.04Å; D153-F156 PolarHBondContact O-N 3.04Å; F156-P223 HydrophobicContact CD1-CB 4.35Å; F156-P223 HydrophobicContact CD1-CG 4.46Å; F156-P223 HydrophobicContact CD2-CG 4.38Å; F156-P223 VanDerWaalsContact CE1-CA 3.47Å; F156-P223 HydrophobicContact CE1-CB 3.71Å; F156-P223 HydrophobicContact CE1-CG 4.22Å; F156-P223 HydrophobicContact CE2-CB 4.16Å; F156-P223 HydrophobicContact CE2-CG 4.11Å; F156-P223 HydrophobicContact CZ-CB 3.6Å; F156-P223 HydrophobicContact CZ-CG 4.03Å; F156-V226 HydrophobicContact CD1-CB 4.08Å; F156-V226 HydrophobicContact CD1-CG1 3.84Å; F156-V226 HydrophobicContact CD1-CG2 4.5Å; F156-V226 HydrophobicContact CE1-CB 4.35Å; F156-V226 HydrophobicContact CE1-CG1 4.16Å; F156-L227 HydrophobicContact CE1-CD1 4.23Å; F156-L227 HydrophobicContact CE1-CD2 4.4Å; F156-L227 HydrophobicContact CE1-CG 4Å; F156-L227 HydrophobicContact CZ-CD1 4.15Å; F156-L227 HydrophobicContact CZ-CG 4.39Å
157K92.7Very high94Very high157 Ų15735.5 Ų35.568%0.68320%0.195SC*.Hα-helixtrans-69.5-38.3176.2-66.7173.4-174.8168.30112.4D153 S154 L155 L159 A160D153-K157 PolarHBondContact O-N 3.38Å; S154-K157 PolarHBondContact O-N 3.31Å; L155-K157 VanDerWaalsContact C-N 3.3Å; L155-K157 PolarHBondContact O-N 3.41Å; K157-L159 PolarHBondContact O-N 2.91Å; K157-A160 WeakPolarHBondContact O-CB 3.5Å; K157-A160 PolarHBondContact O-N 3.23Å
158S93.6Very high94.1Very high13 Ų1330.2 Ų30.29%0.09116%0.16CC..Hα-helixtrans-72.9-15.3-176-58.90000113.6M148 S154 L155M148-S158 VanDerWaalsContact SD-CB 3.51Å; S154-S158 VanDerWaalsContact O-CB 3.26Å; S154-S158 WeakPolarHBondContact O-CB 3.31Å; S154-S158 PolarHBondContact O-N 3.41Å; S154-S158 PolarHBondContact O-OG 3.5Å; L155-S158 PolarHBondContact O-N 3.06Å
159L92.7Very high94.2Very high1 Ų129.9 Ų29.91%0.00516%0.159CC..THydrogen-bonded Turntrans-94-13.2178-63157.8000112.6L155 K157 D161 G162 L164 L165 V226 L230L155-L159 HydrophobicContact CD1-CD1 3.92Å; L155-L159 HydrophobicContact CG-CD1 3.99Å; L155-L159 VanDerWaalsContact O-CD1 3.3Å; L155-L159 WeakPolarHBondContact O-CD1 3.49Å; L155-L159 WeakPolarHBondContact O-CG 3.27Å; L155-L159 PolarHBondContact O-N 3.38Å; K157-L159 PolarHBondContact O-N 2.91Å; L159-D161 PolarHBondContact O-N 3.2Å; L159-D161 VanDerWaalsContact O-N 3.12Å; L159-G162 PolarHBondContact O-N 3.16Å; L159-L164 HydrophobicContact CD2-CB 3.95Å; L159-L164 HydrophobicContact CD2-CD2 3.51Å; L159-L164 HydrophobicContact CD2-CG 3.64Å; L159-L164 HydrophobicContact CG-CD2 3.97Å; L159-L165 HydrophobicContact CB-CD1 4.49Å; L159-L165 HydrophobicContact CB-CG 4.36Å; L159-L165 HydrophobicContact CD2-CD2 3.67Å; L159-L165 HydrophobicContact CD2-CG 3.6Å; L159-V226 HydrophobicContact CD1-CG1 3.28Å; L159-L230 HydrophobicContact CD1-CD1 3.77Å; L159-L230 HydrophobicContact CD1-CG 4.4Å; L159-L230 HydrophobicContact CD2-CD2 4.25Å
160A92.5Very high94.3Very high23 Ų2327.8 Ų27.819%0.1915%0.147CC..THydrogen-bonded Turntrans-64.7-19.3-17100000114K157 V192 K219K157-A160 WeakPolarHBondContact O-CB 3.5Å; K157-A160 PolarHBondContact O-N 3.23Å; A160-V192 WeakPolarHBondContact O-CG1 3.28Å; A160-K219 WeakPolarHBondContact CB-O 3.16Å
161D93.1Very high94.5Very high25 Ų2530.5 Ų30.513%0.13416%0.16CC..THydrogen-bonded Turntrans-94.2-7.6177.676.82.4000114.3L159 I163 L187 N195L159-D161 PolarHBondContact O-N 3.2Å; L159-D161 VanDerWaalsContact O-N 3.12Å; D161-I163 VanDerWaalsContact C-N 3.26Å; D161-I163 PolarHBondContact O-N 2.93Å; D161-I163 WeakPolarHBondContact OD1-CB 3.44Å; D161-I163 PolarHBondContact OD1-N 3.26Å; D161-L187 HydrophobicContact CB-CD1 3.74Å; D161-N195 WeakPolarHBondContact O-CB 3.37Å; D161-N195 PolarHBondContact O-ND2 3Å
162G95.3Very high94.7Very high0 Ų024.9 Ų24.90%013%0.13CC..SBendtrans74.3-4.6-179.900000116.5L159 C166L159-G162 PolarHBondContact O-N 3.16Å; G162-C166 PolarHBondContact O-N 3.32Å; G162-C166 VanDerWaalsContact O-N 3.11Å; G162-C166 PolarHBondContact O-SG 3.17Å
163I96.2Very high94.8Very high4 Ų423.8 Ų23.82%0.02112%0.124CC..Hα-helixtrans-67.3-51.3-178.9-64177.3000109.7D141 D161 L165 C166 K167 I182 L187D141-I163 HydrophobicContact CB-CG2 4.31Å; D161-I163 VanDerWaalsContact C-N 3.26Å; D161-I163 PolarHBondContact O-N 2.93Å; D161-I163 WeakPolarHBondContact OD1-CB 3.44Å; D161-I163 PolarHBondContact OD1-N 3.26Å; I163-L165 VanDerWaalsContact C-N 3.33Å; I163-L165 PolarHBondContact O-N 3.22Å; I163-C166 PolarHBondContact O-N 3.26Å; I163-C166 VanDerWaalsContact O-N 3.14Å; I163-K167 WeakPolarHBondContact O-CG 3.37Å; I163-K167 PolarHBondContact O-N 3.2Å; I163-I182 HydrophobicContact CG1-CG2 4.12Å; I163-L187 HydrophobicContact CD1-CD1 4.09Å
164L96.2Very high94.9Very high0 Ų024.5 Ų24.50%013%0.132CC..Hα-helixtrans-56.9-46.7179.9-179.959.4000111I132 L136 L145 M148 L159 C166 K167 M168I132-L164 HydrophobicContact CG2-CD1 3.87Å; I132-L164 HydrophobicContact CG2-CD2 4.47Å; L136-L164 HydrophobicContact CD1-CD1 3.35Å; L145-L164 HydrophobicContact CD1-CB 4.22Å; M148-L164 HydrophobicContact CE-CD2 4.12Å; M148-L164 HydrophobicContact SD-CD2 3.99Å; L159-L164 HydrophobicContact CD2-CB 3.95Å; L159-L164 HydrophobicContact CD2-CD2 3.51Å; L159-L164 HydrophobicContact CD2-CG 3.64Å; L159-L164 HydrophobicContact CG-CD2 3.97Å; L164-C166 PolarHBondContact O-N 2.89Å; L164-K167 WeakPolarHBondContact O-CB 3.45Å; L164-K167 PolarHBondContact O-N 3.4Å; L164-K167 VanDerWaalsContact O-N 3.17Å; L164-M168 HydrophobicContact CD1-CG 4.45Å; L164-M168 HydrophobicContact CD1-SD 4.37Å; L164-M168 VanDerWaalsContact O-CG 3.27Å; L164-M168 WeakPolarHBondContact O-CG 3.44Å; L164-M168 PolarHBondContact O-N 3.02Å
165L96.6Very high94.9Very high2 Ų228.6 Ų28.61%0.0115%0.153CC..Hα-helixtrans-59.3-42.9176.4-74.9172.4000113L159 I163 K167 M168 I169 L196 A199 L218 L230 I233L159-L165 HydrophobicContact CB-CD1 4.49Å; L159-L165 HydrophobicContact CB-CG 4.36Å; L159-L165 HydrophobicContact CD2-CD2 3.67Å; L159-L165 HydrophobicContact CD2-CG 3.6Å; I163-L165 VanDerWaalsContact C-N 3.33Å; I163-L165 PolarHBondContact O-N 3.22Å; L165-K167 VanDerWaalsContact C-N 3.3Å; L165-K167 PolarHBondContact O-N 3.4Å; L165-M168 PolarHBondContact O-N 3.16Å; L165-I169 WeakPolarHBondContact O-CD1 3.42Å; L165-I169 VanDerWaalsContact O-CG1 3.31Å; L165-I169 WeakPolarHBondContact O-CG1 3.33Å; L165-I169 PolarHBondContact O-N 3.34Å; L165-L196 HydrophobicContact CD1-CD2 4.23Å; L165-A199 HydrophobicContact CB-CB 3.79Å; L165-A199 HydrophobicContact CD1-CB 4.41Å; L165-L218 HydrophobicContact CD1-CD1 3.77Å; L165-L218 HydrophobicContact CD1-CD2 4.48Å; L165-L230 HydrophobicContact CD2-CD2 3.95Å; L165-I233 HydrophobicContact CD2-CD1 4.3Å
166C97.9Very high94.9Very high0 Ų029.5 Ų29.50%016%0.158CC..Hα-helixtrans-62.3-40.2177.4-68.60000111.6G162 I163 L164 I169 N170 I177 I182G162-C166 PolarHBondContact O-N 3.32Å; G162-C166 VanDerWaalsContact O-N 3.11Å; G162-C166 PolarHBondContact O-SG 3.17Å; I163-C166 PolarHBondContact O-N 3.26Å; I163-C166 VanDerWaalsContact O-N 3.14Å; L164-C166 PolarHBondContact O-N 2.89Å; C166-I169 PolarHBondContact O-N 3.44Å; C166-N170 PolarHBondContact O-N 2.66Å; C166-I177 HydrophobicContact CB-CD1 3.79Å; C166-I182 HydrophobicContact CB-CD1 3.62Å; C166-I182 HydrophobicContact CB-CG1 4.14Å
167K97.1Very high95.1Very high8 Ų829.1 Ų29.14%0.03516%0.157CC..Hα-helixtrans-66.2-41.8176.4-68.1-67.1-168.8153.60112L136 D139 D141 I163 L164 L165 I169 N170 L171 E179L136-K167 HydrophobicContact CD1-CB 4.14Å; L136-K167 HydrophobicContact CD2-CB 4.43Å; D139-K167 IonicContact OD1-NZ 2.65Å; D139-K167 WeakPolarHBondContact OD2-CE 3.48Å; D139-K167 IonicContact OD2-NZ 3.61Å; D139-K167 PolarHBondContact OD2-NZ 3.13Å; D141-K167 WeakPolarHBondContact OD2-CE 3.35Å; D141-K167 IonicContact OD2-NZ 3.58Å; D141-K167 PolarHBondContact OD2-NZ 3.45Å; I163-K167 WeakPolarHBondContact O-CG 3.37Å; I163-K167 PolarHBondContact O-N 3.2Å; L164-K167 WeakPolarHBondContact O-CB 3.45Å; L164-K167 PolarHBondContact O-N 3.4Å; L164-K167 VanDerWaalsContact O-N 3.17Å; L165-K167 VanDerWaalsContact C-N 3.3Å; L165-K167 PolarHBondContact O-N 3.4Å; K167-I169 VanDerWaalsContact C-N 3.3Å; K167-I169 PolarHBondContact O-N 3.11Å; K167-N170 PolarHBondContact O-N 3Å; K167-L171 WeakPolarHBondContact O-CB 3.39Å; K167-L171 PolarHBondContact O-N 3.06Å; K167-E179 WeakPolarHBondContact CD-OE1 2.94Å; K167-E179 WeakPolarHBondContact CE-OE1 3.44Å; K167-E179 IonicContact NZ-OE1 2.68Å; K167-E179 PolarHBondContact NZ-OE1 3.04Å; K167-E179 IonicContact NZ-OE2 2.75Å; K167-E179 PolarHBondContact NZ-OE2 2.9Å
168M96.8Very high95.3Very high0 Ų022.5 Ų22.50%013%0.129CC..Hα-helixtrans-59.6-41.1175.1-67.3-43.7-52.200112.4W131 I132 L136 L164 L165 L171 S172 L230 I233W131-M168 HydrophobicContact CE3-CE 4.05Å; W131-M168 HydrophobicContact CH2-CE 3.48Å; W131-M168 VanDerWaalsContact CH2-CE 3.48Å; W131-M168 HydrophobicContact CZ3-CE 3.04Å; I132-M168 HydrophobicContact CG1-CE 4.14Å; I132-M168 HydrophobicContact CG1-SD 3.97Å; I132-M168 HydrophobicContact CG2-SD 4.08Å; L136-M168 HydrophobicContact CD1-SD 3.48Å; L136-M168 WeakPolarHBondContact CD1-SD 3.29Å; L136-M168 HydrophobicContact CG-SD 4.1Å; L164-M168 HydrophobicContact CD1-CG 4.45Å; L164-M168 HydrophobicContact CD1-SD 4.37Å; L164-M168 VanDerWaalsContact O-CG 3.27Å; L164-M168 WeakPolarHBondContact O-CG 3.44Å; L164-M168 PolarHBondContact O-N 3.02Å; L165-M168 PolarHBondContact O-N 3.16Å; M168-L171 HydrophobicContact CE-CD2 3.84Å; M168-L171 WeakPolarHBondContact O-CB 3.38Å; M168-L171 PolarHBondContact O-N 2.97Å; M168-S172 PolarHBondContact O-N 3.43Å; M168-S172 PolarHBondContact O-OG 2.87Å; M168-L230 HydrophobicContact CG-CD2 4.4Å; M168-I233 HydrophobicContact CB-CG2 4.08Å
169I97.6Very high95.4Very high1 Ų125 Ų251%0.00514%0.139CC..Hα-helixtrans-62.6-45.2177.6-70162.4000111L165 C166 K167 L171 S172 E173 T176 I177 A199 A203 I206 I233L165-I169 WeakPolarHBondContact O-CD1 3.42Å; L165-I169 VanDerWaalsContact O-CG1 3.31Å; L165-I169 WeakPolarHBondContact O-CG1 3.33Å; L165-I169 PolarHBondContact O-N 3.34Å; C166-I169 PolarHBondContact O-N 3.44Å; K167-I169 VanDerWaalsContact C-N 3.3Å; K167-I169 PolarHBondContact O-N 3.11Å; I169-L171 VanDerWaalsContact C-N 3.3Å; I169-L171 PolarHBondContact O-N 2.87Å; I169-S172 PolarHBondContact O-N 3.23Å; I169-E173 PolarHBondContact O-N 3.41Å; I169-T176 HydrophobicContact CG2-CG2 3.59Å; I169-I177 HydrophobicContact CB-CD1 4.01Å; I169-I177 HydrophobicContact CD1-CD1 4.01Å; I169-I177 HydrophobicContact CG2-CD1 3.93Å; I169-I177 HydrophobicContact CG2-CG1 4.2Å; I169-A199 HydrophobicContact CD1-CB 4.11Å; I169-A199 WeakPolarHBondContact CD1-O 3.48Å; I169-A203 HydrophobicContact CD1-CB 4.05Å; I169-I206 HydrophobicContact CG2-CD1 4.28Å; I169-I233 HydrophobicContact CD1-CD1 4.41Å; I169-I233 HydrophobicContact CG1-CD1 3.89Å; I169-I233 HydrophobicContact CG1-CG1 4.23Å; I169-I233 HydrophobicContact CG1-CG2 4.29Å
170N96.9Very high95.5Very high25 Ų2528.5 Ų28.513%0.13415%0.152CC..Hα-helixtrans-68.2-28.6176.4-84.3-7000113.4C166 K167 E173 P174 T176 I177C166-N170 PolarHBondContact O-N 2.66Å; K167-N170 PolarHBondContact O-N 3Å; N170-E173 CarbonylContact O-C 3.45Å; N170-P174 VanDerWaalsContact O-CA 3.28Å; N170-P174 WeakPolarHBondContact O-CA 3.35Å; N170-T176 PolarHBondContact OD1-N 3.39Å; N170-I177 PolarHBondContact ND2-O 3.46Å; N170-I177 WeakPolarHBondContact OD1-CB 2.97Å; N170-I177 PolarHBondContact OD1-N 3.42Å; N170-I177 PolarHBondContact OD1-O 2.81Å
171L95Very high95.7Very high79 Ų7927.4 Ų27.441%0.41414%0.143SC..Hα-helixtrans-68-40.8173.3-176.970.2000111W131 A135 L136 K167 M168 I169W131-L171 HydrophobicContact CH2-CD2 3.68Å; W131-L171 HydrophobicContact CZ2-CD2 4.03Å; W131-L171 HydrophobicContact CZ3-CD2 4.47Å; A135-L171 HydrophobicContact CB-CD2 3.59Å; L136-L171 HydrophobicContact CD2-CD2 4.49Å; K167-L171 WeakPolarHBondContact O-CB 3.39Å; K167-L171 PolarHBondContact O-N 3.06Å; M168-L171 HydrophobicContact CE-CD2 3.84Å; M168-L171 WeakPolarHBondContact O-CB 3.38Å; M168-L171 PolarHBondContact O-N 2.97Å; I169-L171 VanDerWaalsContact C-N 3.3Å; I169-L171 PolarHBondContact O-N 2.87Å
172S94.6Very high95.9Very high6 Ų626.2 Ų26.24%0.04214%0.137CC..Hα-helixtrans-75.9-41.4179.4-66.40000113.5M168 I169 I233 G237M168-S172 PolarHBondContact O-N 3.43Å; M168-S172 PolarHBondContact O-OG 2.87Å; I169-S172 PolarHBondContact O-N 3.23Å; S172-I233 WeakPolarHBondContact CB-O 3.38Å; S172-I233 WeakPolarHBondContact OG-CG2 3.47Å; S172-I233 PolarHBondContact OG-O 3.43Å; S172-G237 WeakPolarHBondContact O-CA 3.43Å
173E93.1Very high95.8Very high43 Ų4327.4 Ų27.420%0.20114%0.143CC..SBendtrans-136.698176.9-174.680-162.900108.2I169 N170 T176 I206I169-E173 PolarHBondContact O-N 3.41Å; N170-E173 CarbonylContact O-C 3.45Å; E173-T176 WeakPolarHBondContact CB-OG1 3.29Å; E173-T176 VanDerWaalsContact CG-OG1 3.28Å; E173-T176 WeakPolarHBondContact CG-OG1 3.41Å; E173-T176 WeakPolarHBondContact O-CB 3.38Å; E173-T176 PolarHBondContact O-N 2.95Å; E173-T176 PolarHBondContact O-OG1 3.11Å; E173-I206 HydrophobicContact CB-CG2 3.93Å; E173-I206 HydrophobicContact CG-CG2 4Å
174P93.4Very high95.6Very high94 Ų9430.6 Ų30.661%0.6116%0.156SC*.THydrogen-bonded Turntrans-53.5151.1-178.8-28.736.2000113.2N170 T176N170-P174 VanDerWaalsContact O-CA 3.28Å; N170-P174 WeakPolarHBondContact O-CA 3.35Å; P174-T176 PolarHBondContact O-N 2.83Å; P174-T176 VanDerWaalsContact O-N 3.09Å
175D92.1Very high95.3Very high109 Ų10939.4 Ų39.458%0.58320%0.195SC*.THydrogen-bonded Turntrans628.8179.5-75.1-43.6000116.3K585D175-K585 IonicContact OD1-NZ 2.98Å; D175-K585 PolarHBondContact OD1-NZ 3.02Å; D175-K585 IonicContact OD2-NZ 3.18Å; D175-K585 PolarHBondContact OD2-NZ 3.36Å
176T95.8Very high94.7Very high18 Ų1848.9 Ų48.911%0.1124%0.236CC..SBendtrans-65.6-40.2176.5-640000112.7I169 N170 E173 P174 I206 R592I169-T176 HydrophobicContact CG2-CG2 3.59Å; N170-T176 PolarHBondContact OD1-N 3.39Å; E173-T176 WeakPolarHBondContact CB-OG1 3.29Å; E173-T176 VanDerWaalsContact CG-OG1 3.28Å; E173-T176 WeakPolarHBondContact CG-OG1 3.41Å; E173-T176 WeakPolarHBondContact O-CB 3.38Å; E173-T176 PolarHBondContact O-N 2.95Å; E173-T176 PolarHBondContact O-OG1 3.11Å; P174-T176 PolarHBondContact O-N 2.83Å; P174-T176 VanDerWaalsContact O-N 3.09Å; T176-I206 HydrophobicContact CG2-CG2 3.66Å; T176-R592 PolarHBondContact O-NH1 3.09Å
177I98Very high94.4Very high4 Ų451.8 Ų51.82%0.02125%0.251CS..SBendtrans-119120.9178.6-60.8175.1000108.8C166 I169 N170 E179 I182 L198 S202C166-I177 HydrophobicContact CB-CD1 3.79Å; I169-I177 HydrophobicContact CB-CD1 4.01Å; I169-I177 HydrophobicContact CD1-CD1 4.01Å; I169-I177 HydrophobicContact CG2-CD1 3.93Å; I169-I177 HydrophobicContact CG2-CG1 4.2Å; N170-I177 PolarHBondContact ND2-O 3.46Å; N170-I177 WeakPolarHBondContact OD1-CB 2.97Å; N170-I177 PolarHBondContact OD1-N 3.42Å; N170-I177 PolarHBondContact OD1-O 2.81Å; I177-E179 PolarHBondContact O-N 2.88Å; I177-E179 VanDerWaalsContact O-N 3.16Å; I177-I182 HydrophobicContact CG2-CD1 4.21Å; I177-I182 HydrophobicContact CG2-CG1 4.12Å; I177-L198 HydrophobicContact CD1-CG 4.39Å; I177-L198 HydrophobicContact CG1-CD1 4.5Å; I177-L198 HydrophobicContact CG2-CD1 4.18Å; I177-L198 HydrophobicContact CG2-CD2 3.83Å; I177-L198 HydrophobicContact CG2-CG 4.11Å; I177-S202 WeakPolarHBondContact CG1-OG 3.43Å
178D97.3Very high94.2Very high18 Ų1854.6 Ų54.610%0.09627%0.269CS..  trans-68.4112164-170.4-40.1000108.8R180 A181 K585 Y586 S589D178-R180 PolarHBondContact O-N 3.33Å; D178-R180 WeakPolarHBondContact OD1-CB 3.3Å; D178-R180 VanDerWaalsContact OD1-CG 3.27Å; D178-R180 WeakPolarHBondContact OD1-CG 3.39Å; D178-R180 IonicContact OD1-CZ 3.32Å; D178-R180 PolarHBondContact OD1-N 2.88Å; D178-R180 IonicContact OD1-NE 2.63Å; D178-R180 PolarHBondContact OD1-NE 3.11Å; D178-R180 IonicContact OD1-NH2 3.14Å; D178-R180 IonicContact OD2-CZ 3.18Å; D178-R180 VanDerWaalsContact OD2-CZ 3.32Å; D178-R180 IonicContact OD2-NE 2.74Å; D178-R180 PolarHBondContact OD2-NE 3.33Å; D178-R180 IonicContact OD2-NH2 2.97Å; D178-R180 PolarHBondContact OD2-NH2 2.99Å; D178-A181 VanDerWaalsContact O-CB 3.3Å; D178-A181 WeakPolarHBondContact O-CB 3.26Å; D178-A181 PolarHBondContact O-N 3.25Å; D178-K585 HydrophobicContact CB-CB 4.42Å; D178-Y586 WeakPolarHBondContact OD2-CA 3.28Å; D178-Y586 PolarHBondContact OD2-N 3.3Å; D178-S589 VanDerWaalsContact CB-OG 3.31Å; D178-S589 WeakPolarHBondContact CB-OG 3.35Å; D178-S589 PolarHBondContact N-OG 3.2Å
179E95.9Very high94Very high65 Ų6559.1 Ų59.130%0.30430%0.299SS..G310 helixtrans-62.4-18-176.5-64.5-159.6179.400114.1K167 I177 A181 I182 K184K167-E179 WeakPolarHBondContact CD-OE1 2.94Å; K167-E179 WeakPolarHBondContact CE-OE1 3.44Å; K167-E179 IonicContact NZ-OE1 2.68Å; K167-E179 PolarHBondContact NZ-OE1 3.04Å; K167-E179 IonicContact NZ-OE2 2.75Å; K167-E179 PolarHBondContact NZ-OE2 2.9Å; I177-E179 PolarHBondContact O-N 2.88Å; I177-E179 VanDerWaalsContact O-N 3.16Å; E179-A181 PolarHBondContact O-N 3.35Å; E179-I182 HydrophobicContact CB-CD1 4.16Å; E179-I182 HydrophobicContact CG-CD1 4.15Å; E179-I182 WeakPolarHBondContact O-CB 3.35Å; E179-I182 PolarHBondContact O-N 2.98Å; E179-I182 VanDerWaalsContact O-N 3.12Å; E179-K184 IonicContact OE2-NZ 3.9Å; E179-K184 PolarHBondContact OE2-NZ 3.21Å
180R95.1Very high93.6Very high74 Ų7465.9 Ų65.928%0.27933%0.328SS..G310 helixtrans-69.4-8.8171-54.3173.5-67.4168.3-3.1111.6D178 R566 M569 N582 Y586D178-R180 PolarHBondContact O-N 3.33Å; D178-R180 WeakPolarHBondContact OD1-CB 3.3Å; D178-R180 VanDerWaalsContact OD1-CG 3.27Å; D178-R180 WeakPolarHBondContact OD1-CG 3.39Å; D178-R180 IonicContact OD1-CZ 3.32Å; D178-R180 PolarHBondContact OD1-N 2.88Å; D178-R180 IonicContact OD1-NE 2.63Å; D178-R180 PolarHBondContact OD1-NE 3.11Å; D178-R180 IonicContact OD1-NH2 3.14Å; D178-R180 IonicContact OD2-CZ 3.18Å; D178-R180 VanDerWaalsContact OD2-CZ 3.32Å; D178-R180 IonicContact OD2-NE 2.74Å; D178-R180 PolarHBondContact OD2-NE 3.33Å; D178-R180 IonicContact OD2-NH2 2.97Å; D178-R180 PolarHBondContact OD2-NH2 2.99Å; R180-R566 PolarHBondContact O-NH2 2.93Å; R180-M569 HydrophobicContact CB-SD 4.15Å; R180-M569 HydrophobicContact CG-SD 4.2Å; R180-M569 PolarHBondContact NH1-O 3.43Å; R180-N582 PolarHBondContact NH2-O 3.34Å; R180-Y586 HydrophobicContact CB-CD2 4.17Å; R180-Y586 HydrophobicContact CB-CE2 4.15Å; R180-Y586 WeakPolarHBondContact O-CE2 3.33Å
181A96.1Very high93.4Very high0 Ų065.9 Ų65.90%033%0.329CS..G310 helixtrans-85.4-21.5170.200000112.5D178 E179 L198 Y586 V590 K593D178-A181 VanDerWaalsContact O-CB 3.3Å; D178-A181 WeakPolarHBondContact O-CB 3.26Å; D178-A181 PolarHBondContact O-N 3.25Å; E179-A181 PolarHBondContact O-N 3.35Å; A181-L198 HydrophobicContact CB-CD2 4.01Å; A181-Y586 HydrophobicContact CB-CE2 4.44Å; A181-V590 HydrophobicContact CB-CG2 4.15Å; A181-K593 WeakPolarHBondContact O-CD 3.2Å
182I96.2Very high93.4Very high1 Ų162.9 Ų62.91%0.00531%0.314CS..SBendtrans-72.5131.3-175.7-53.2171.1000110I163 C166 I177 E179 K184 L198I163-I182 HydrophobicContact CG1-CG2 4.12Å; C166-I182 HydrophobicContact CB-CD1 3.62Å; C166-I182 HydrophobicContact CB-CG1 4.14Å; I177-I182 HydrophobicContact CG2-CD1 4.21Å; I177-I182 HydrophobicContact CG2-CG1 4.12Å; E179-I182 HydrophobicContact CB-CD1 4.16Å; E179-I182 HydrophobicContact CG-CD1 4.15Å; E179-I182 WeakPolarHBondContact O-CB 3.35Å; E179-I182 PolarHBondContact O-N 2.98Å; E179-I182 VanDerWaalsContact O-N 3.12Å; I182-K184 HydrophobicContact CB-CG 4.2Å; I182-K184 HydrophobicContact CG2-CG 3.89Å; I182-K184 PolarHBondContact O-N 3.35Å; I182-L198 HydrophobicContact CG1-CD2 3.97Å
183N94.7Very high93.4Very high24 Ų2464.9 Ų64.913%0.12833%0.328CS..  trans-79.5111.7169.1-63.1-51.6000108.3L187 T191 E194 N195N183-L187 HydrophobicContact CB-CD2 4.01Å; N183-L187 WeakPolarHBondContact O-CD2 3.32Å; N183-T191 HydrophobicContact CB-CG2 4.48Å; N183-T191 WeakPolarHBondContact ND2-CB 3.37Å; N183-T191 PolarHBondContact ND2-O 3.23Å; N183-E194 PolarHBondContact ND2-OE2 2.72Å; N183-N195 WeakPolarHBondContact CB-OD1 3.48Å; N183-N195 PolarHBondContact N-OD1 2.72Å; N183-N195 PolarHBondContact O-ND2 2.84Å
184K92.3Very high93.5Very high71 Ų7163.8 Ų63.831%0.30932%0.323SS..  trans-110.1-10.5-173.1-61176.4175.6-166.30114.3D141 E179 I182D141-K184 WeakPolarHBondContact OD1-CD 2.91Å; D141-K184 IonicContact OD1-NZ 2.65Å; D141-K184 WeakPolarHBondContact OD2-CE 3.42Å; D141-K184 IonicContact OD2-NZ 3.32Å; D141-K184 PolarHBondContact OD2-NZ 2.69Å; E179-K184 IonicContact OE2-NZ 3.9Å; E179-K184 PolarHBondContact OE2-NZ 3.21Å; I182-K184 HydrophobicContact CB-CG 4.2Å; I182-K184 HydrophobicContact CG2-CG 3.89Å; I182-K184 PolarHBondContact O-N 3.35Å
185K88.1Confident93.6Very high185 Ų18559.3 Ų59.380%0.80429%0.294SS*.SBendtrans-137.1145.2-173.4-63.9-177.1-178.7178.10110.9L187K185-L187 PolarHBondContact O-N 2.94Å
186K85.3Confident93.9Very high202 Ų20254.1 Ų54.188%0.87827%0.266SS*.SBendtrans49.357.8176.6-62.9-177.2178.2-178.90112.2T188K186-T188 PolarHBondContact O-N 3.37Å
187L90.9Very high93.9Very high61 Ų6155.4 Ų55.432%0.31927%0.272SS..  trans-68.1119.6-174.6-56.3-176.6000111D161 I163 N183 K185 V192D161-L187 HydrophobicContact CB-CD1 3.74Å; I163-L187 HydrophobicContact CD1-CD1 4.09Å; N183-L187 HydrophobicContact CB-CD2 4.01Å; N183-L187 WeakPolarHBondContact O-CD2 3.32Å; K185-L187 PolarHBondContact O-N 2.94Å; L187-V192 HydrophobicContact CB-CG2 3.94Å; L187-V192 HydrophobicContact CD1-CG2 4.4Å
188T92.9Very high93.9Very high66 Ų6655.2 Ų55.241%0.40527%0.271SS..  trans-93.5162.1167.967.20000109.7K186 F190 T191 V192K186-T188 PolarHBondContact O-N 3.37Å; T188-F190 PolarHBondContact O-N 3.12Å; T188-F190 VanDerWaalsContact O-N 3.1Å; T188-T191 PolarHBondContact N-OG1 3.45Å; T188-T191 PolarHBondContact O-N 3.02Å; T188-T191 VanDerWaalsContact O-N 3.13Å; T188-T191 PolarHBondContact O-OG1 2.87Å; T188-T191 PolarHBondContact OG1-N 3.24Å; T188-T191 PolarHBondContact OG1-OG1 2.85Å; T188-T191 VanDerWaalsContact OG1-OG1 3.11Å; T188-V192 WeakPolarHBondContact O-CG2 3.33Å; T188-V192 PolarHBondContact O-N 3.2Å
189P92.2Very high93.9Very high96 Ų9654.4 Ų54.462%0.62327%0.267SS*.Hα-helixtrans-53.2-32.9173.4-28.135.9000113.7S193P189-S193 PolarHBondContact O-N 2.68Å
190F90.4Very high93.9Very high142 Ų14251.7 Ų51.762%0.62326%0.255SS*.Hα-helixtrans-68.8-50.8176.7-177.9-96.6000111.9T188 V192 S193 E194T188-F190 PolarHBondContact O-N 3.12Å; T188-F190 VanDerWaalsContact O-N 3.1Å; F190-V192 VanDerWaalsContact C-N 3.28Å; F190-V192 PolarHBondContact O-N 3.42Å; F190-S193 WeakPolarHBondContact O-CB 3.29Å; F190-S193 PolarHBondContact O-N 2.82Å; F190-S193 VanDerWaalsContact O-N 3.12Å; F190-E194 HydrophobicContact CD1-CG 4.3Å; F190-E194 HydrophobicContact CE1-CG 3.93Å; F190-E194 WeakPolarHBondContact CE1-OE1 3.39Å; F190-E194 HydrophobicContact CZ-CG 4.33Å; F190-E194 PolarHBondContact O-N 3.23Å
191T92.8Very high93.9Very high25 Ų2548.8 Ų48.815%0.15325%0.245CC..Hα-helixtrans-68.4-27-179.453.20000113.1N183 T188 E194 N195N183-T191 HydrophobicContact CB-CG2 4.48Å; N183-T191 WeakPolarHBondContact ND2-CB 3.37Å; N183-T191 PolarHBondContact ND2-O 3.23Å; T188-T191 PolarHBondContact N-OG1 3.45Å; T188-T191 PolarHBondContact O-N 3.02Å; T188-T191 VanDerWaalsContact O-N 3.13Å; T188-T191 PolarHBondContact O-OG1 2.87Å; T188-T191 PolarHBondContact OG1-N 3.24Å; T188-T191 PolarHBondContact OG1-OG1 2.85Å; T188-T191 VanDerWaalsContact OG1-OG1 3.11Å; T191-E194 WeakPolarHBondContact O-CB 3.46Å; T191-E194 PolarHBondContact O-N 3.47Å; T191-N195 PolarHBondContact O-N 3.14Å
192V94.9Very high94Very high16 Ų1648.8 Ų48.810%0.09725%0.245CC..Hα-helixtrans-65.3-48.1169.41670000110.3A160 L187 T188 F190 E194 N195 L196 K219A160-V192 WeakPolarHBondContact O-CG1 3.28Å; L187-V192 HydrophobicContact CB-CG2 3.94Å; L187-V192 HydrophobicContact CD1-CG2 4.4Å; T188-V192 WeakPolarHBondContact O-CG2 3.33Å; T188-V192 PolarHBondContact O-N 3.2Å; F190-V192 VanDerWaalsContact C-N 3.28Å; F190-V192 PolarHBondContact O-N 3.42Å; V192-E194 VanDerWaalsContact C-N 3.26Å; V192-E194 PolarHBondContact O-N 2.76Å; V192-N195 PolarHBondContact O-N 2.81Å; V192-N195 VanDerWaalsContact O-N 3.14Å; V192-L196 HydrophobicContact CG1-CD1 3.8Å; V192-L196 HydrophobicContact CG1-CG 4.4Å; V192-L196 WeakPolarHBondContact O-CG 3.41Å; V192-L196 PolarHBondContact O-N 2.85Å; V192-K219 HydrophobicContact CG1-CD 4.39Å; V192-K219 HydrophobicContact CG1-CG 4.41Å
193S93.9Very high94Very high49 Ų4948.7 Ų48.734%0.34324%0.244SC..Hα-helixtrans-59-39.1175.5-173.20000111.7P189 F190 L196 N197P189-S193 PolarHBondContact O-N 2.68Å; F190-S193 WeakPolarHBondContact O-CB 3.29Å; F190-S193 PolarHBondContact O-N 2.82Å; F190-S193 VanDerWaalsContact O-N 3.12Å; S193-L196 PolarHBondContact O-N 3.28Å; S193-N197 WeakPolarHBondContact O-CB 3.31Å; S193-N197 VanDerWaalsContact O-CG 3.27Å; S193-N197 PolarHBondContact O-N 3.26Å; S193-N197 PolarHBondContact O-ND2 2.89Å
194E94.9Very high94Very high19 Ų1947.8 Ų47.89%0.08924%0.24CC..Hα-helixtrans-59.7-47.1172.5-75.3-16614100113N183 F190 T191 V192 L196 N197 L198 K593N183-E194 PolarHBondContact ND2-OE2 2.72Å; F190-E194 HydrophobicContact CD1-CG 4.3Å; F190-E194 HydrophobicContact CE1-CG 3.93Å; F190-E194 WeakPolarHBondContact CE1-OE1 3.39Å; F190-E194 HydrophobicContact CZ-CG 4.33Å; F190-E194 PolarHBondContact O-N 3.23Å; T191-E194 WeakPolarHBondContact O-CB 3.46Å; T191-E194 PolarHBondContact O-N 3.47Å; V192-E194 VanDerWaalsContact C-N 3.26Å; V192-E194 PolarHBondContact O-N 2.76Å; E194-L196 PolarHBondContact O-N 3.03Å; E194-N197 PolarHBondContact O-N 3.07Å; E194-L198 WeakPolarHBondContact O-CB 3.29Å; E194-L198 PolarHBondContact O-N 3.13Å; E194-K593 HydrophobicContact CB-CD 4.04Å; E194-K593 HydrophobicContact CB-CG 3.65Å; E194-K593 HydrophobicContact CG-CG 4.21Å; E194-K593 WeakPolarHBondContact O-CG 3.08Å; E194-K593 IonicContact OE2-NZ 3.95Å
195N96.9Very high94.1Very high0 Ų045 Ų450%023%0.23CC..Hα-helixtrans-62-42.4176.9-75.9-7.8000112D161 N183 T191 V192 L198 A199D161-N195 WeakPolarHBondContact O-CB 3.37Å; D161-N195 PolarHBondContact O-ND2 3Å; N183-N195 WeakPolarHBondContact CB-OD1 3.48Å; N183-N195 PolarHBondContact N-OD1 2.72Å; N183-N195 PolarHBondContact O-ND2 2.84Å; T191-N195 PolarHBondContact O-N 3.14Å; V192-N195 PolarHBondContact O-N 2.81Å; V192-N195 VanDerWaalsContact O-N 3.14Å; N195-L198 WeakPolarHBondContact O-CB 3.47Å; N195-L198 PolarHBondContact O-N 3.44Å; N195-A199 PolarHBondContact O-N 3.39Å
196L96.9Very high94.3Very high1 Ų136.6 Ų36.61%0.00519%0.194CC..Hα-helixtrans-67.9-38.8179.3-66.8170.1000111.9L165 V192 S193 E194 A199 L200 A215 L218 K219L165-L196 HydrophobicContact CD1-CD2 4.23Å; V192-L196 HydrophobicContact CG1-CD1 3.8Å; V192-L196 HydrophobicContact CG1-CG 4.4Å; V192-L196 WeakPolarHBondContact O-CG 3.41Å; V192-L196 PolarHBondContact O-N 2.85Å; S193-L196 PolarHBondContact O-N 3.28Å; E194-L196 PolarHBondContact O-N 3.03Å; L196-A199 PolarHBondContact O-N 3.31Å; L196-L200 WeakPolarHBondContact O-CB 3.21Å; L196-L200 WeakPolarHBondContact O-CG 3.49Å; L196-L200 PolarHBondContact O-N 3.28Å; L196-A215 HydrophobicContact CB-CB 3.8Å; L196-A215 HydrophobicContact CD1-CB 4.49Å; L196-A215 VanDerWaalsContact CD1-O 3.28Å; L196-A215 WeakPolarHBondContact CD1-O 3.3Å; L196-L218 HydrophobicContact CD2-CB 3.84Å; L196-L218 HydrophobicContact CD2-CD1 4.24Å; L196-K219 HydrophobicContact CD1-CB 3.71Å; L196-K219 HydrophobicContact CD1-CG 4.43Å
197N95.8Very high94.6Very high44 Ų4427 Ų2724%0.23515%0.152CC..Hα-helixtrans-64.8-40.4172.2-75.1-45.8000111.8S193 E194 N201S193-N197 WeakPolarHBondContact O-CB 3.31Å; S193-N197 VanDerWaalsContact O-CG 3.27Å; S193-N197 PolarHBondContact O-N 3.26Å; S193-N197 PolarHBondContact O-ND2 2.89Å; E194-N197 PolarHBondContact O-N 3.07Å; N197-N201 WeakPolarHBondContact O-CB 3.22Å; N197-N201 PolarHBondContact O-N 2.85Å; N197-N201 PolarHBondContact O-ND2 3.32Å
198L97.8Very high94.6Very high0 Ų024.1 Ų24.10%014%0.137CC..Hα-helixtrans-58.2-49.1173175.356.7000110.7I177 A181 I182 E194 N195 S202 S589 R592 K593I177-L198 HydrophobicContact CD1-CG 4.39Å; I177-L198 HydrophobicContact CG1-CD1 4.5Å; I177-L198 HydrophobicContact CG2-CD1 4.18Å; I177-L198 HydrophobicContact CG2-CD2 3.83Å; I177-L198 HydrophobicContact CG2-CG 4.11Å; A181-L198 HydrophobicContact CB-CD2 4.01Å; I182-L198 HydrophobicContact CG1-CD2 3.97Å; E194-L198 WeakPolarHBondContact O-CB 3.29Å; E194-L198 PolarHBondContact O-N 3.13Å; N195-L198 WeakPolarHBondContact O-CB 3.47Å; N195-L198 PolarHBondContact O-N 3.44Å; L198-S202 WeakPolarHBondContact O-CB 3.46Å; L198-S202 PolarHBondContact O-N 2.86Å; L198-S202 PolarHBondContact O-OG 2.86Å; L198-S589 VanDerWaalsContact CD1-O 3.27Å; L198-S589 WeakPolarHBondContact CD1-O 3.38Å; L198-R592 HydrophobicContact CD1-CB 3.98Å; L198-K593 HydrophobicContact CB-CB 4.07Å; L198-K593 HydrophobicContact CB-CG 4.32Å; L198-K593 HydrophobicContact CD1-CB 4.41Å
199A97.8Very high94.5Very high1 Ų123.2 Ų23.21%0.00813%0.132CC..Hα-helixtrans-60.3-51.7177.700000111.9L165 I169 N195 L196 N201 S202 A203L165-A199 HydrophobicContact CB-CB 3.79Å; L165-A199 HydrophobicContact CD1-CB 4.41Å; I169-A199 HydrophobicContact CD1-CB 4.11Å; I169-A199 WeakPolarHBondContact CD1-O 3.48Å; N195-A199 PolarHBondContact O-N 3.39Å; L196-A199 PolarHBondContact O-N 3.31Å; A199-N201 PolarHBondContact O-N 2.63Å; A199-S202 PolarHBondContact O-N 3Å; A199-A203 WeakPolarHBondContact O-CB 3.4Å; A199-A203 PolarHBondContact O-N 3.17Å
200L96.4Very high94.1Very high8 Ų819.2 Ų19.24%0.04211%0.106CC..Hα-helixtrans-60.2-47.7-178.7-77.3169.3000112.8L196 S202 A203 S204 V210 I213 A215 L218 L229L196-L200 WeakPolarHBondContact O-CB 3.21Å; L196-L200 WeakPolarHBondContact O-CG 3.49Å; L196-L200 PolarHBondContact O-N 3.28Å; L200-S202 VanDerWaalsContact C-N 3.27Å; L200-S202 PolarHBondContact O-N 2.97Å; L200-A203 PolarHBondContact O-N 2.8Å; L200-S204 WeakPolarHBondContact O-CB 3.25Å; L200-S204 PolarHBondContact O-N 3.4Å; L200-V210 HydrophobicContact CD2-CB 4.36Å; L200-V210 HydrophobicContact CD2-CG1 4.22Å; L200-I213 HydrophobicContact CD2-CB 4.06Å; L200-I213 HydrophobicContact CD2-CG2 3.77Å; L200-A215 HydrophobicContact CD1-CB 4.35Å; L200-L218 HydrophobicContact CD1-CD1 3.98Å; L200-L218 HydrophobicContact CD2-CD1 3.64Å; L200-L218 HydrophobicContact CG-CD1 3.65Å; L200-L229 HydrophobicContact CD2-CD2 4.09Å
201N95.8Very high93.2Very high13 Ų1316.3 Ų16.37%0.0710%0.099CC..Hα-helixtrans-70.3-27.2-179.9-69.5-42.8000112.2N197 A199 A205 R592 G595 R597N197-N201 WeakPolarHBondContact O-CB 3.22Å; N197-N201 PolarHBondContact O-N 2.85Å; N197-N201 PolarHBondContact O-ND2 3.32Å; A199-N201 PolarHBondContact O-N 2.63Å; N201-A205 PolarHBondContact O-N 3.38Å; N201-R592 HydrophobicContact CB-CB 3.83Å; N201-R592 HydrophobicContact CB-CG 3.94Å; N201-R592 PolarHBondContact ND2-O 2.83Å; N201-G595 WeakPolarHBondContact ND2-CA 3.39Å; N201-R597 WeakPolarHBondContact OD1-CG 3.47Å
202S97.4Very high92.4Very high0 Ų021.7 Ų21.70%013%0.127CC..Hα-helixtrans-78.7-39.6175.6-57.70000112I177 L198 A199 L200 S204 A205 I206 R592I177-S202 WeakPolarHBondContact CG1-OG 3.43Å; L198-S202 WeakPolarHBondContact O-CB 3.46Å; L198-S202 PolarHBondContact O-N 2.86Å; L198-S202 PolarHBondContact O-OG 2.86Å; A199-S202 PolarHBondContact O-N 3Å; L200-S202 VanDerWaalsContact C-N 3.27Å; L200-S202 PolarHBondContact O-N 2.97Å; S202-S204 VanDerWaalsContact C-N 3.29Å; S202-S204 PolarHBondContact O-N 2.89Å; S202-A205 WeakPolarHBondContact O-CB 3.17Å; S202-A205 PolarHBondContact O-N 2.84Å; S202-I206 PolarHBondContact O-N 3.41Å; S202-R592 WeakPolarHBondContact OG-CD 3.39Å
203A96.4Very high92Very high0 Ų022.1 Ų22.10%013%0.129CC..Hα-helixtrans-58.9-42.8170.100000111I169 A199 L200 A205 I206 G207 C208 V210 L229 I233I169-A203 HydrophobicContact CD1-CB 4.05Å; A199-A203 WeakPolarHBondContact O-CB 3.4Å; A199-A203 PolarHBondContact O-N 3.17Å; L200-A203 PolarHBondContact O-N 2.8Å; A203-A205 VanDerWaalsContact C-N 3.28Å; A203-A205 PolarHBondContact O-N 3.05Å; A203-I206 WeakPolarHBondContact O-CG1 3.39Å; A203-I206 PolarHBondContact O-N 3.32Å; A203-G207 PolarHBondContact O-N 3.18Å; A203-C208 HydrophobicContact CB-CB 4.07Å; A203-C208 VanDerWaalsContact O-CB 3.26Å; A203-C208 WeakPolarHBondContact O-CB 3.37Å; A203-C208 PolarHBondContact O-N 3.44Å; A203-V210 HydrophobicContact CB-CG1 4.35Å; A203-L229 HydrophobicContact CB-CD1 4.02Å; A203-I233 HydrophobicContact CB-CD1 4.48Å; A203-I233 HydrophobicContact CB-CG1 4.48Å
204S94.1Very high91.7Very high4 Ų421 Ų213%0.02813%0.125CC..Hα-helixtrans-58.7-39.2172.7-174.40000112.5L200 S202 I206 G207 S407 Y599L200-S204 WeakPolarHBondContact O-CB 3.25Å; L200-S204 PolarHBondContact O-N 3.4Å; S202-S204 VanDerWaalsContact C-N 3.29Å; S202-S204 PolarHBondContact O-N 2.89Å; S204-I206 VanDerWaalsContact C-N 3.28Å; S204-I206 PolarHBondContact O-N 3.06Å; S204-G207 PolarHBondContact O-N 3.36Å; S204-G207 VanDerWaalsContact O-N 3.13Å; S204-S407 VanDerWaalsContact O-CB 3.3Å; S204-S407 WeakPolarHBondContact O-CB 3.28Å; S204-S407 VanDerWaalsContact OG-CB 3.28Å; S204-S407 WeakPolarHBondContact OG-CB 3.48Å; S204-S407 PolarHBondContact OG-OG 3.06Å; S204-Y599 WeakPolarHBondContact O-CE1 3.37Å; S204-Y599 PolarHBondContact OG-OH 2.84Å; S204-Y599 VanDerWaalsContact OG-OH 3.1Å
205A93.8Very high91.5Very high12 Ų1220.8 Ų20.810%0.09913%0.126CC..Hα-helixtrans-71.6-21.7-177.700000113.7N201 S202 A203 G207 N403 R592N201-A205 PolarHBondContact O-N 3.38Å; S202-A205 WeakPolarHBondContact O-CB 3.17Å; S202-A205 PolarHBondContact O-N 2.84Å; A203-A205 VanDerWaalsContact C-N 3.28Å; A203-A205 PolarHBondContact O-N 3.05Å; A205-G207 VanDerWaalsContact C-N 3.33Å; A205-N403 VanDerWaalsContact O-CB 3.32Å; A205-N403 WeakPolarHBondContact O-CB 3.32Å; A205-N403 PolarHBondContact O-ND2 3.43Å; A205-R592 VanDerWaalsContact CB-CZ 3.44Å
206I93.6Very high91.1Very high9 Ų924 Ų245%0.04615%0.148CC..THydrogen-bonded Turntrans-93.910172.166.4168.1000112.5I169 E173 T176 S202 A203 S204 V236I169-I206 HydrophobicContact CG2-CD1 4.28Å; E173-I206 HydrophobicContact CB-CG2 3.93Å; E173-I206 HydrophobicContact CG-CG2 4Å; T176-I206 HydrophobicContact CG2-CG2 3.66Å; S202-I206 PolarHBondContact O-N 3.41Å; A203-I206 WeakPolarHBondContact O-CG1 3.39Å; A203-I206 PolarHBondContact O-N 3.32Å; S204-I206 VanDerWaalsContact C-N 3.28Å; S204-I206 PolarHBondContact O-N 3.06Å; I206-V236 HydrophobicContact CD1-CB 4.41Å; I206-V236 HydrophobicContact CD1-CG1 4.18Å; I206-V236 HydrophobicContact CD1-CG2 4.36Å
207G90.9Very high90.9Very high1 Ų125.2 Ų25.21%0.0116%0.155CC..THydrogen-bonded Turntrans90.411.1173.500000115.8A203 S204 A205A203-G207 PolarHBondContact O-N 3.18Å; S204-G207 PolarHBondContact O-N 3.36Å; S204-G207 VanDerWaalsContact O-N 3.13Å; A205-G207 VanDerWaalsContact C-N 3.33Å
208C92.1Very high90.7Very high1 Ų123.1 Ų23.11%0.00714%0.144CC..  trans-72.6139.8170.8-55.60000111.1A203 V210 L229 Q232 S407A203-C208 HydrophobicContact CB-CB 4.07Å; A203-C208 VanDerWaalsContact O-CB 3.26Å; A203-C208 WeakPolarHBondContact O-CB 3.37Å; A203-C208 PolarHBondContact O-N 3.44Å; C208-V210 PolarHBondContact O-N 2.95Å; C208-L229 HydrophobicContact CB-CD1 4.34Å; C208-Q232 HydrophobicContact CB-CB 4.16Å; C208-S407 WeakPolarHBondContact O-CA 3.16Å
209T89.6Confident90.5Very high47 Ų4728 Ų2829%0.28817%0.165SC..  trans-79.8112.8175.2-530000110.3V211 N406T209-V211 HydrophobicContact CG2-CG2 4.3Å; T209-N406 PolarHBondContact OG1-O 3.04Å; T209-N406 VanDerWaalsContact OG1-O 3.04Å
210V83.9Confident90.2Very high12 Ų1234.3 Ų34.37%0.07319%0.194CC..  trans-120.913.4-176.9-60.70000113.8L200 A203 C208 N212 I213 L229L200-V210 HydrophobicContact CD2-CB 4.36Å; L200-V210 HydrophobicContact CD2-CG1 4.22Å; A203-V210 HydrophobicContact CB-CG1 4.35Å; C208-V210 PolarHBondContact O-N 2.95Å; V210-N212 PolarHBondContact O-N 3.45Å; V210-I213 PolarHBondContact O-N 2.81Å; V210-I213 VanDerWaalsContact O-N 3.13Å; V210-L229 HydrophobicContact CG1-CD1 4.06Å
211V72Confident90Very high81 Ų8134.3 Ų34.349%0.49120%0.196SC..THydrogen-bonded Turntrans-57.7-26.6-171-1780000113.3T209 S407T209-V211 HydrophobicContact CG2-CG2 4.3Å; V211-S407 WeakPolarHBondContact CG2-O 3.09Å
212N76.1Confident89.7Confident137 Ų13736.9 Ų36.973%0.73321%0.207SC*.THydrogen-bonded Turntrans-118.725.2-177.8-60.3-36.5000113.4V210V210-N212 PolarHBondContact O-N 3.45Å
213I85.3Confident89.3Confident26 Ų2638.7 Ų38.713%0.13322%0.218CC..  trans-126114.2-179.1-48.8-179.4000109.5L200 V210 L218 L225 L229L200-I213 HydrophobicContact CD2-CB 4.06Å; L200-I213 HydrophobicContact CD2-CG2 3.77Å; V210-I213 PolarHBondContact O-N 2.81Å; V210-I213 VanDerWaalsContact O-N 3.13Å; I213-L218 HydrophobicContact CG2-CD1 4.36Å; I213-L218 HydrophobicContact CG2-CD2 3.82Å; I213-L218 HydrophobicContact CG2-CG 3.87Å; I213-L225 HydrophobicContact CG1-CB 4.49Å; I213-L225 HydrophobicContact CG1-CD2 4.27Å; I213-L229 HydrophobicContact CD1-CB 4.09Å
214G87.6Confident88.7Confident25 Ų2541.1 Ų41.126%0.25823%0.229SC..  trans-95.9162.6173.400000113.2S216 D217 L218G214-S216 PolarHBondContact O-N 3.22Å; G214-D217 WeakPolarHBondContact CA-OD2 3.45Å; G214-D217 PolarHBondContact N-OD2 3.42Å; G214-D217 WeakPolarHBondContact O-CB 3.49Å; G214-D217 PolarHBondContact O-N 3.46Å; G214-D217 VanDerWaalsContact O-N 3.16Å; G214-L218 PolarHBondContact O-N 3.22Å
215A90.4Very high88.5Confident14 Ų1442.4 Ų42.412%0.11624%0.236CC..Hα-helixtrans-60.5-33173.700000112L196 L200 K219L196-A215 HydrophobicContact CB-CB 3.8Å; L196-A215 HydrophobicContact CD1-CB 4.49Å; L196-A215 VanDerWaalsContact CD1-O 3.28Å; L196-A215 WeakPolarHBondContact CD1-O 3.3Å; L200-A215 HydrophobicContact CD1-CB 4.35Å; A215-K219 WeakPolarHBondContact O-CB 3.48Å; A215-K219 PolarHBondContact O-N 3.49Å
216S90.1Very high88.4Confident67 Ų6742 Ų4247%0.46923%0.232SC..Hα-helixtrans-63.7-41.4174.647.30000112.4G214 L218 K219 E220G214-S216 PolarHBondContact O-N 3.22Å; S216-L218 VanDerWaalsContact C-N 3.32Å; S216-L218 PolarHBondContact O-N 3.22Å; S216-K219 WeakPolarHBondContact O-CB 3.41Å; S216-K219 PolarHBondContact O-N 3.48Å; S216-E220 WeakPolarHBondContact O-CB 3.47Å; S216-E220 WeakPolarHBondContact O-CG 3.32Å; S216-E220 PolarHBondContact O-N 3.48Å
217D91.6Very high88.3Confident27 Ų2741.7 Ų41.714%0.14423%0.23CC..Hα-helixtrans-63.3-40.4-178.6-59.4-53.7000112.1G214 G221 K222 L225G214-D217 WeakPolarHBondContact CA-OD2 3.45Å; G214-D217 PolarHBondContact N-OD2 3.42Å; G214-D217 WeakPolarHBondContact O-CB 3.49Å; G214-D217 PolarHBondContact O-N 3.46Å; G214-D217 VanDerWaalsContact O-N 3.16Å; D217-G221 PolarHBondContact O-N 3.08Å; D217-G221 VanDerWaalsContact O-N 3.14Å; D217-K222 HydrophobicContact CB-CD 4.03Å; D217-K222 PolarHBondContact O-N 3.48Å; D217-K222 VanDerWaalsContact O-N 3.1Å; D217-K222 WeakPolarHBondContact OD1-CD 3.31Å; D217-K222 WeakPolarHBondContact OD1-CE 3.49Å; D217-K222 IonicContact OD1-NZ 2.67Å; D217-K222 PolarHBondContact OD1-NZ 3.37Å; D217-L225 HydrophobicContact CB-CD1 3.64Å
218L92.4Very high88.3Confident1 Ų142.9 Ų42.91%0.00524%0.243CC..Hα-helixtrans-71-37.7175.5-63.8-178.4000112.1L165 L196 L200 I213 G214 S216 E220 G221 V226 L229L165-L218 HydrophobicContact CD1-CD1 3.77Å; L165-L218 HydrophobicContact CD1-CD2 4.48Å; L196-L218 HydrophobicContact CD2-CB 3.84Å; L196-L218 HydrophobicContact CD2-CD1 4.24Å; L200-L218 HydrophobicContact CD1-CD1 3.98Å; L200-L218 HydrophobicContact CD2-CD1 3.64Å; L200-L218 HydrophobicContact CG-CD1 3.65Å; I213-L218 HydrophobicContact CG2-CD1 4.36Å; I213-L218 HydrophobicContact CG2-CD2 3.82Å; I213-L218 HydrophobicContact CG2-CG 3.87Å; G214-L218 PolarHBondContact O-N 3.22Å; S216-L218 VanDerWaalsContact C-N 3.32Å; S216-L218 PolarHBondContact O-N 3.22Å; L218-E220 VanDerWaalsContact C-N 3.34Å; L218-G221 PolarHBondContact O-N 3.04Å; L218-G221 VanDerWaalsContact O-N 3.12Å; L218-V226 HydrophobicContact CD2-CG2 4.03Å; L218-L229 HydrophobicContact CD1-CD2 4.08Å; L218-L229 HydrophobicContact CD2-CD2 4.02Å
219K93.2Very high88.3Confident102 Ų10242.9 Ų42.944%0.44324%0.243SC..Hα-helixtrans-64.7-39.1175.8-173.1-177.1174.3-170.50112.1A160 V192 L196 A215 S216 G221A160-K219 WeakPolarHBondContact CB-O 3.16Å; V192-K219 HydrophobicContact CG1-CD 4.39Å; V192-K219 HydrophobicContact CG1-CG 4.41Å; L196-K219 HydrophobicContact CD1-CB 3.71Å; L196-K219 HydrophobicContact CD1-CG 4.43Å; A215-K219 WeakPolarHBondContact O-CB 3.48Å; A215-K219 PolarHBondContact O-N 3.49Å; S216-K219 WeakPolarHBondContact O-CB 3.41Å; S216-K219 PolarHBondContact O-N 3.48Å; K219-G221 PolarHBondContact O-N 2.94Å
220E92.2Very high88.6Confident134 Ų13440.7 Ų40.763%0.62623%0.229SC*.THydrogen-bonded Turntrans-73.4-14.6174.6-72.6168.8-161.500112.3S216 L218 K222S216-E220 WeakPolarHBondContact O-CB 3.47Å; S216-E220 WeakPolarHBondContact O-CG 3.32Å; S216-E220 PolarHBondContact O-N 3.48Å; L218-E220 VanDerWaalsContact C-N 3.34Å; E220-K222 HydrophobicContact CB-CG 4.4Å; E220-K222 WeakPolarHBondContact OE2-CE 3.48Å; E220-K222 IonicContact OE2-NZ 2.8Å
221G90.9Very high89Confident7 Ų741.6 Ų41.67%0.07223%0.231CC..THydrogen-bonded Turntrans71.334.8178.200000113.1D217 L218 K219 P223D217-G221 PolarHBondContact O-N 3.08Å; D217-G221 VanDerWaalsContact O-N 3.14Å; L218-G221 PolarHBondContact O-N 3.04Å; L218-G221 VanDerWaalsContact O-N 3.12Å; K219-G221 PolarHBondContact O-N 2.94Å; G221-P223 WeakPolarHBondContact O-CD 3.49Å; G221-P223 VanDerWaalsContact O-N 3.07Å
222K90Very high90Very high68 Ų6840 Ų4030%0.29622%0.219SC..  trans-56.4112.2-178.6-70.9-174-177.4171.50110.8D217 E220 H224 L225 V226D217-K222 HydrophobicContact CB-CD 4.03Å; D217-K222 PolarHBondContact O-N 3.48Å; D217-K222 VanDerWaalsContact O-N 3.1Å; D217-K222 WeakPolarHBondContact OD1-CD 3.31Å; D217-K222 WeakPolarHBondContact OD1-CE 3.49Å; D217-K222 IonicContact OD1-NZ 2.67Å; D217-K222 PolarHBondContact OD1-NZ 3.37Å; E220-K222 HydrophobicContact CB-CG 4.4Å; E220-K222 WeakPolarHBondContact OE2-CE 3.48Å; E220-K222 IonicContact OE2-NZ 2.8Å; K222-H224 PolarHBondContact O-N 3.13Å; K222-L225 HydrophobicContact CB-CB 4.44Å; K222-L225 HydrophobicContact CB-CD1 4.13Å; K222-L225 HydrophobicContact CB-CG 4.37Å; K222-L225 HydrophobicContact CD-CD1 4.01Å; K222-L225 PolarHBondContact O-N 3.05Å; K222-V226 WeakPolarHBondContact O-CG2 3.39Å; K222-V226 PolarHBondContact O-N 3.3Å
223P89.1Confident91Very high37 Ų3733.6 Ų33.624%0.2418%0.184CC..Hα-helixtrans-56.7-48.5-163.7-33.338.3000115.5Y120 F156 G221 L225 V226 L227Y120-P223 HydrophobicContact CD1-CB 3.3Å; Y120-P223 HydrophobicContact CD1-CG 4.03Å; Y120-P223 HydrophobicContact CD2-CB 4.04Å; Y120-P223 HydrophobicContact CE1-CB 3.44Å; Y120-P223 VanDerWaalsContact CE1-CB 3.44Å; Y120-P223 HydrophobicContact CE1-CG 3.71Å; Y120-P223 HydrophobicContact CE2-CB 4.13Å; Y120-P223 HydrophobicContact CG-CB 3.61Å; F156-P223 HydrophobicContact CD1-CB 4.35Å; F156-P223 HydrophobicContact CD1-CG 4.46Å; F156-P223 HydrophobicContact CD2-CG 4.38Å; F156-P223 VanDerWaalsContact CE1-CA 3.47Å; F156-P223 HydrophobicContact CE1-CB 3.71Å; F156-P223 HydrophobicContact CE1-CG 4.22Å; F156-P223 HydrophobicContact CE2-CB 4.16Å; F156-P223 HydrophobicContact CE2-CG 4.11Å; F156-P223 HydrophobicContact CZ-CB 3.6Å; F156-P223 HydrophobicContact CZ-CG 4.03Å; G221-P223 WeakPolarHBondContact O-CD 3.49Å; G221-P223 VanDerWaalsContact O-N 3.07Å; P223-L225 PolarHBondContact O-N 3.44Å; P223-V226 PolarHBondContact O-N 3.24Å; P223-L227 WeakPolarHBondContact O-CB 3.41Å; P223-L227 WeakPolarHBondContact O-CG 3.37Å; P223-L227 PolarHBondContact O-N 3.1Å
224H84.8Confident91.4Very high52 Ų5232.4 Ų32.424%0.24118%0.178CC..Hα-helixtrans-63.5-38.8-178.562.2-78.9000113.2H118 K222 G228H118-H224 HydrophobicContact CB-CB 3.85Å; H118-H224 VanDerWaalsContact CB-ND1 3.26Å; H118-H224 WeakPolarHBondContact CB-ND1 3.41Å; H118-H224 AromaticContact CD2-CD2 3.8Å; H118-H224 AromaticContact CD2-CE1 3.45Å; H118-H224 PolarHBondContact CD2-CE1 2.87Å; H118-H224 VanDerWaalsContact CD2-CE1 3.45Å; H118-H224 AromaticContact CD2-NE2 3.25Å; H118-H224 PolarHBondContact CD2-NE2 3.1Å; H118-H224 VanDerWaalsContact CD2-NE2 3.25Å; H118-H224 AromaticContact CG-CD2 3.53Å; H118-H224 AromaticContact CG-CE1 3.65Å; H118-H224 AromaticContact CG-CG 3.76Å; H118-H224 AromaticContact CG-ND1 3.82Å; H118-H224 AromaticContact CG-NE2 3.48Å; H118-H224 AromaticContact ND1-CD2 3.91Å; H118-H224 AromaticContact NE2-NE2 3.8Å; K222-H224 PolarHBondContact O-N 3.13Å; H224-G228 PolarHBondContact O-N 3.14Å
225L89.5Confident91.6Very high31 Ų3133.7 Ų33.716%0.16218%0.177CC..Hα-helixtrans-72.3-42178-58.7178000110.9I213 D217 K222 P223 L229I213-L225 HydrophobicContact CG1-CB 4.49Å; I213-L225 HydrophobicContact CG1-CD2 4.27Å; D217-L225 HydrophobicContact CB-CD1 3.64Å; K222-L225 HydrophobicContact CB-CB 4.44Å; K222-L225 HydrophobicContact CB-CD1 4.13Å; K222-L225 HydrophobicContact CB-CG 4.37Å; K222-L225 HydrophobicContact CD-CD1 4.01Å; K222-L225 PolarHBondContact O-N 3.05Å; P223-L225 PolarHBondContact O-N 3.44Å; L225-L229 WeakPolarHBondContact O-CB 3.49Å; L225-L229 PolarHBondContact O-N 3.18Å
226V91.8Very high91.7Very high2 Ų234.3 Ų34.31%0.01218%0.179CC..Hα-helixtrans-62.8-51.6178.1166.60000111.1F156 L159 L218 K222 P223 G228 L229 L230F156-V226 HydrophobicContact CD1-CB 4.08Å; F156-V226 HydrophobicContact CD1-CG1 3.84Å; F156-V226 HydrophobicContact CD1-CG2 4.5Å; F156-V226 HydrophobicContact CE1-CB 4.35Å; F156-V226 HydrophobicContact CE1-CG1 4.16Å; L159-V226 HydrophobicContact CD1-CG1 3.28Å; L218-V226 HydrophobicContact CD2-CG2 4.03Å; K222-V226 WeakPolarHBondContact O-CG2 3.39Å; K222-V226 PolarHBondContact O-N 3.3Å; P223-V226 PolarHBondContact O-N 3.24Å; V226-G228 PolarHBondContact O-N 3.48Å; V226-L229 PolarHBondContact O-N 3.31Å; V226-L230 HydrophobicContact CG1-CD1 4.01Å; V226-L230 HydrophobicContact CG1-CG 4.49Å; V226-L230 WeakPolarHBondContact O-CB 3.36Å; V226-L230 WeakPolarHBondContact O-CG 3.07Å; V226-L230 PolarHBondContact O-N 3.34Å
227L91.1Very high91.8Very high3 Ų332.1 Ų32.12%0.01617%0.167CC..Hα-helixtrans-66.8-37.7-179.8-68.9170.2000111.9Y120 K125 F128 L155 F156 P223 W231Y120-L227 HydrophobicContact CD2-CD1 3.37Å; Y120-L227 HydrophobicContact CE2-CD1 4.23Å; Y120-L227 HydrophobicContact CG-CD1 3.95Å; K125-L227 HydrophobicContact CB-CD1 4.41Å; K125-L227 HydrophobicContact CB-CD2 4.21Å; F128-L227 HydrophobicContact CD2-CD2 3.66Å; F128-L227 HydrophobicContact CE2-CB 4.5Å; F128-L227 HydrophobicContact CE2-CD2 4.1Å; L155-L227 HydrophobicContact CD2-CD2 3.65Å; F156-L227 HydrophobicContact CE1-CD1 4.23Å; F156-L227 HydrophobicContact CE1-CD2 4.4Å; F156-L227 HydrophobicContact CE1-CG 4Å; F156-L227 HydrophobicContact CZ-CD1 4.15Å; F156-L227 HydrophobicContact CZ-CG 4.39Å; P223-L227 WeakPolarHBondContact O-CB 3.41Å; P223-L227 WeakPolarHBondContact O-CG 3.37Å; P223-L227 PolarHBondContact O-N 3.1Å; L227-W231 WeakPolarHBondContact O-CB 3.47Å; L227-W231 PolarHBondContact O-N 3.16Å
228G90.3Very high91.9Very high26 Ų2631.4 Ų31.427%0.26816%0.163SC..Hα-helixtrans-62.2-42.9174.400000112.8H224 V226 Q232H224-G228 PolarHBondContact O-N 3.14Å; V226-G228 PolarHBondContact O-N 3.48Å; G228-Q232 WeakPolarHBondContact O-CG 3.18Å; G228-Q232 PolarHBondContact O-N 3.49Å; G228-Q232 PolarHBondContact O-NE2 3.44Å
229L93.1Very high91.9Very high2 Ų232.3 Ų32.31%0.0117%0.167CC..Hα-helixtrans-70.5-45.8176.9-179.659.3000111.9L200 A203 C208 V210 I213 L218 L225 V226 W231 Q232 I233L200-L229 HydrophobicContact CD2-CD2 4.09Å; A203-L229 HydrophobicContact CB-CD1 4.02Å; C208-L229 HydrophobicContact CB-CD1 4.34Å; V210-L229 HydrophobicContact CG1-CD1 4.06Å; I213-L229 HydrophobicContact CD1-CB 4.09Å; L218-L229 HydrophobicContact CD1-CD2 4.08Å; L218-L229 HydrophobicContact CD2-CD2 4.02Å; L225-L229 WeakPolarHBondContact O-CB 3.49Å; L225-L229 PolarHBondContact O-N 3.18Å; V226-L229 PolarHBondContact O-N 3.31Å; L229-W231 VanDerWaalsContact C-N 3.31Å; L229-W231 PolarHBondContact O-N 2.81Å; L229-Q232 PolarHBondContact O-N 3.31Å; L229-Q232 VanDerWaalsContact O-N 3.17Å; L229-I233 HydrophobicContact CD1-CD1 4.11Å; L229-I233 HydrophobicContact CD1-CG1 4.36Å; L229-I233 HydrophobicContact CG-CD1 3.89Å; L229-I233 WeakPolarHBondContact O-CG1 3.42Å; L229-I233 PolarHBondContact O-N 3.1Å
230L94.7Very high91.6Very high0 Ų028.3 Ų28.30%015%0.153CC..Hα-helixtrans-57.7-45.3176.9-81.2175.9000111.4F128 I132 L155 L159 L165 M168 V226 Q232 I233 I234F128-L230 HydrophobicContact CD2-CB 4.31Å; I132-L230 HydrophobicContact CD1-CD1 4.3Å; I132-L230 HydrophobicContact CD1-CD2 4.28Å; L155-L230 HydrophobicContact CD1-CD1 3.96Å; L155-L230 HydrophobicContact CD2-CD1 4.08Å; L155-L230 HydrophobicContact CG-CD1 4.32Å; L159-L230 HydrophobicContact CD1-CD1 3.77Å; L159-L230 HydrophobicContact CD1-CG 4.4Å; L159-L230 HydrophobicContact CD2-CD2 4.25Å; L165-L230 HydrophobicContact CD2-CD2 3.95Å; M168-L230 HydrophobicContact CG-CD2 4.4Å; V226-L230 HydrophobicContact CG1-CD1 4.01Å; V226-L230 HydrophobicContact CG1-CG 4.49Å; V226-L230 WeakPolarHBondContact O-CB 3.36Å; V226-L230 WeakPolarHBondContact O-CG 3.07Å; V226-L230 PolarHBondContact O-N 3.34Å; L230-Q232 VanDerWaalsContact C-N 3.33Å; L230-Q232 PolarHBondContact O-N 2.93Å; L230-I233 PolarHBondContact O-N 2.7Å; L230-I234 WeakPolarHBondContact O-CB 3.45Å; L230-I234 WeakPolarHBondContact O-CG1 3.45Å; L230-I234 PolarHBondContact O-N 3.24Å
231W93.1Very high91.3Very high32 Ų3226 Ų2612%0.12115%0.145CC..Hα-helixtrans-56.7-47.5175.7169.8-118.9000112.3F128 L227 L229 I233 I234 K235 K362 A366F128-W231 AromaticContact CE1-CE3 3.88Å; F128-W231 HydrophobicContact CE1-CE3 3.88Å; F128-W231 HydrophobicContact CE1-CZ3 4.46Å; F128-W231 HydrophobicContact CE2-CB 4.15Å; F128-W231 HydrophobicContact CZ-CB 3.87Å; F128-W231 HydrophobicContact CZ-CD2 4.42Å; F128-W231 AromaticContact CZ-CE3 3.82Å; F128-W231 HydrophobicContact CZ-CE3 3.82Å; F128-W231 HydrophobicContact CZ-CG 4.49Å; L227-W231 WeakPolarHBondContact O-CB 3.47Å; L227-W231 PolarHBondContact O-N 3.16Å; L229-W231 VanDerWaalsContact C-N 3.31Å; L229-W231 PolarHBondContact O-N 2.81Å; W231-I233 VanDerWaalsContact C-N 3.3Å; W231-I233 PolarHBondContact O-N 3.42Å; W231-I234 PolarHBondContact O-N 3.46Å; W231-K235 HydrophobicContact CD2-CB 4.46Å; W231-K235 HydrophobicContact CZ2-CB 4.31Å; W231-K235 HydrophobicContact CZ2-CD 4.15Å; W231-K235 HydrophobicContact CZ2-CG 4.26Å; W231-K235 WeakPolarHBondContact O-CB 3.48Å; W231-K235 PolarHBondContact O-N 3.33Å; W231-K362 VanDerWaalsContact CB-CE 3.42Å; W231-K362 HydrophobicContact CD2-CD 3.93Å; W231-K362 HydrophobicContact CD2-CG 3.75Å; W231-K362 VanDerWaalsContact CE2-CE 3.4Å; W231-K362 VanDerWaalsContact CE2-CG 3.49Å; W231-K362 HydrophobicContact CE3-CD 4.22Å; W231-K362 HydrophobicContact CE3-CG 3.88Å; W231-K362 HydrophobicContact CG-CD 4.22Å; W231-K362 HydrophobicContact CG-CG 4.49Å; W231-K362 HydrophobicContact CH2-CG 3.56Å; W231-K362 WeakPolarHBondContact CH2-O 3.28Å; W231-K362 HydrophobicContact CZ2-CD 4.42Å; W231-K362 HydrophobicContact CZ2-CG 3.4Å; W231-K362 VanDerWaalsContact CZ2-CG 3.4Å; W231-K362 HydrophobicContact CZ3-CG 3.79Å; W231-A366 HydrophobicContact CH2-CB 4.09Å; W231-A366 HydrophobicContact CZ3-CB 3.9Å
232Q93.7Very high91.3Very high48 Ų4825.8 Ų25.822%0.22414%0.142CC..Hα-helixtrans-60.6-42.8179.8-71.9176.176.500111.3C208 G228 L229 L230 K235 V236C208-Q232 HydrophobicContact CB-CB 4.16Å; G228-Q232 WeakPolarHBondContact O-CG 3.18Å; G228-Q232 PolarHBondContact O-N 3.49Å; G228-Q232 PolarHBondContact O-NE2 3.44Å; L229-Q232 PolarHBondContact O-N 3.31Å; L229-Q232 VanDerWaalsContact O-N 3.17Å; L230-Q232 VanDerWaalsContact C-N 3.33Å; L230-Q232 PolarHBondContact O-N 2.93Å; Q232-K235 PolarHBondContact O-N 3.34Å; Q232-V236 WeakPolarHBondContact O-CG2 3.31Å; Q232-V236 PolarHBondContact O-N 3.46Å; Q232-V236 VanDerWaalsContact O-N 3.08Å
233I95.7Very high91.1Very high1 Ų124.8 Ų24.81%0.00514%0.138CC..Hα-helixtrans-62.6-48.3176.4-66.1164.8000110.6L165 M168 I169 S172 A203 L229 L230 W231 K235 V236 G237L165-I233 HydrophobicContact CD2-CD1 4.3Å; M168-I233 HydrophobicContact CB-CG2 4.08Å; I169-I233 HydrophobicContact CD1-CD1 4.41Å; I169-I233 HydrophobicContact CG1-CD1 3.89Å; I169-I233 HydrophobicContact CG1-CG1 4.23Å; I169-I233 HydrophobicContact CG1-CG2 4.29Å; S172-I233 WeakPolarHBondContact CB-O 3.38Å; S172-I233 WeakPolarHBondContact OG-CG2 3.47Å; S172-I233 PolarHBondContact OG-O 3.43Å; A203-I233 HydrophobicContact CB-CD1 4.48Å; A203-I233 HydrophobicContact CB-CG1 4.48Å; L229-I233 HydrophobicContact CD1-CD1 4.11Å; L229-I233 HydrophobicContact CD1-CG1 4.36Å; L229-I233 HydrophobicContact CG-CD1 3.89Å; L229-I233 WeakPolarHBondContact O-CG1 3.42Å; L229-I233 PolarHBondContact O-N 3.1Å; L230-I233 PolarHBondContact O-N 2.7Å; W231-I233 VanDerWaalsContact C-N 3.3Å; W231-I233 PolarHBondContact O-N 3.42Å; I233-K235 VanDerWaalsContact C-N 3.32Å; I233-K235 PolarHBondContact O-N 3.44Å; I233-V236 PolarHBondContact O-N 3.42Å; I233-G237 PolarHBondContact O-N 2.76Å
234I93.8Very high90.9Very high1 Ų123.3 Ų23.31%0.00513%0.128CC..Hα-helixtrans-58.3-46.3177.8-69.3170.5000110.6F128 W131 L230 W231 V236 G237 L238 F350F128-I234 HydrophobicContact CB-CD1 4.34Å; F128-I234 HydrophobicContact CD1-CD1 3.61Å; F128-I234 HydrophobicContact CD2-CD1 4.48Å; F128-I234 HydrophobicContact CE1-CD1 4.03Å; F128-I234 HydrophobicContact CG-CD1 3.89Å; W131-I234 HydrophobicContact CE3-CD1 3.85Å; W131-I234 HydrophobicContact CE3-CG1 3.93Å; W131-I234 HydrophobicContact CH2-CG1 4.05Å; W131-I234 HydrophobicContact CZ3-CB 4.45Å; W131-I234 HydrophobicContact CZ3-CD1 3.85Å; W131-I234 HydrophobicContact CZ3-CG1 3.42Å; W131-I234 VanDerWaalsContact CZ3-CG1 3.42Å; W131-I234 HydrophobicContact CZ3-CG2 4.47Å; L230-I234 WeakPolarHBondContact O-CB 3.45Å; L230-I234 WeakPolarHBondContact O-CG1 3.45Å; L230-I234 PolarHBondContact O-N 3.24Å; W231-I234 PolarHBondContact O-N 3.46Å; I234-V236 VanDerWaalsContact C-N 3.33Å; I234-V236 PolarHBondContact O-N 3.21Å; I234-G237 PolarHBondContact O-N 3.17Å; I234-L238 HydrophobicContact CG2-CD1 3.68Å; I234-L238 HydrophobicContact CG2-CG 4.06Å; I234-L238 WeakPolarHBondContact O-CG 3.5Å; I234-L238 PolarHBondContact O-N 3.26Å; I234-F350 HydrophobicContact CG2-CE1 3.84Å; I234-F350 HydrophobicContact CG2-CZ 4.19Å
235K92.2Very high90.8Very high53 Ų5322.5 Ų22.523%0.2313%0.129CC..Hα-helixtrans-60.4-41.9-178.7-171.5-175.4-179.6-169.70111.7W231 Q232 I233 G237 L238 F239 E269W231-K235 HydrophobicContact CD2-CB 4.46Å; W231-K235 HydrophobicContact CZ2-CB 4.31Å; W231-K235 HydrophobicContact CZ2-CD 4.15Å; W231-K235 HydrophobicContact CZ2-CG 4.26Å; W231-K235 WeakPolarHBondContact O-CB 3.48Å; W231-K235 PolarHBondContact O-N 3.33Å; Q232-K235 PolarHBondContact O-N 3.34Å; I233-K235 VanDerWaalsContact C-N 3.32Å; I233-K235 PolarHBondContact O-N 3.44Å; K235-G237 VanDerWaalsContact C-N 3.33Å; K235-G237 PolarHBondContact O-N 3.16Å; K235-L238 PolarHBondContact O-N 3.31Å; K235-F239 HydrophobicContact CD-CD2 4.48Å; K235-F239 HydrophobicContact CD-CE2 4.19Å; K235-F239 HydrophobicContact CG-CD2 3.89Å; K235-F239 HydrophobicContact CG-CE2 3.86Å; K235-F239 HydrophobicContact CG-CG 4.36Å; K235-F239 HydrophobicContact CG-CZ 4.25Å; K235-F239 WeakPolarHBondContact O-CB 3.49Å; K235-F239 WeakPolarHBondContact O-CG 3.44Å; K235-F239 PolarHBondContact O-N 2.87Å; K235-E269 WeakPolarHBondContact CE-OE1 3.4Å; K235-E269 IonicContact NZ-OE1 2.72Å; K235-E269 PolarHBondContact NZ-OE1 2.7Å
236V93Very high90.5Very high26 Ų2626.8 Ų26.816%0.15814%0.143CC..Hα-helixtrans-55.5-49.2175.11700000110.6I206 Q232 I233 I234 F239 A240I206-V236 HydrophobicContact CD1-CB 4.41Å; I206-V236 HydrophobicContact CD1-CG1 4.18Å; I206-V236 HydrophobicContact CD1-CG2 4.36Å; Q232-V236 WeakPolarHBondContact O-CG2 3.31Å; Q232-V236 PolarHBondContact O-N 3.46Å; Q232-V236 VanDerWaalsContact O-N 3.08Å; I233-V236 PolarHBondContact O-N 3.42Å; I234-V236 VanDerWaalsContact C-N 3.33Å; I234-V236 PolarHBondContact O-N 3.21Å; V236-F239 PolarHBondContact O-N 3.34Å; V236-A240 PolarHBondContact O-N 3.21Å; V236-A240 VanDerWaalsContact O-N 3.15Å
237G92.6Very high90.3Very high21 Ų2128.4 Ų28.422%0.21615%0.151CC..Hα-helixtrans-68.4-42.1-179.500000113.5S172 I233 I234 K235 F239 A240S172-G237 WeakPolarHBondContact O-CA 3.43Å; I233-G237 PolarHBondContact O-N 2.76Å; I234-G237 PolarHBondContact O-N 3.17Å; K235-G237 VanDerWaalsContact C-N 3.33Å; K235-G237 PolarHBondContact O-N 3.16Å; G237-F239 PolarHBondContact O-N 3Å; G237-A240 PolarHBondContact O-N 2.87Å
238L92.3Very high90.1Very high12 Ų1231.8 Ų31.86%0.06317%0.167CC..Hα-helixtrans-62.8-32.8178.7-73.6178.7000112.6I234 K235 I242 F350 A366 A369 N373I234-L238 HydrophobicContact CG2-CD1 3.68Å; I234-L238 HydrophobicContact CG2-CG 4.06Å; I234-L238 WeakPolarHBondContact O-CG 3.5Å; I234-L238 PolarHBondContact O-N 3.26Å; K235-L238 PolarHBondContact O-N 3.31Å; L238-I242 WeakPolarHBondContact O-CD1 3.34Å; L238-F350 HydrophobicContact CD1-CE1 4.31Å; L238-F350 HydrophobicContact CD1-CE2 4.22Å; L238-F350 HydrophobicContact CD1-CZ 3.84Å; L238-F350 HydrophobicContact CD2-CE2 4.07Å; L238-F350 HydrophobicContact CD2-CZ 3.99Å; L238-F350 HydrophobicContact CG-CZ 4.35Å; L238-A366 HydrophobicContact CD1-CB 3.8Å; L238-A369 HydrophobicContact CB-CB 4.14Å; L238-A369 HydrophobicContact CD1-CB 4.45Å; L238-N373 PolarHBondContact O-ND2 2.95Å
239F92.6Very high90Very high20 Ų2031.3 Ų31.39%0.08816%0.16CC..Hα-helixtrans-98.2-4.2-173.9-694.1000113.4K235 V236 G237 D241 I242 P268 E269 L272 L365 A369K235-F239 HydrophobicContact CD-CD2 4.48Å; K235-F239 HydrophobicContact CD-CE2 4.19Å; K235-F239 HydrophobicContact CG-CD2 3.89Å; K235-F239 HydrophobicContact CG-CE2 3.86Å; K235-F239 HydrophobicContact CG-CG 4.36Å; K235-F239 HydrophobicContact CG-CZ 4.25Å; K235-F239 WeakPolarHBondContact O-CB 3.49Å; K235-F239 WeakPolarHBondContact O-CG 3.44Å; K235-F239 PolarHBondContact O-N 2.87Å; V236-F239 PolarHBondContact O-N 3.34Å; G237-F239 PolarHBondContact O-N 3Å; F239-D241 PolarHBondContact O-N 3.2Å; F239-I242 HydrophobicContact CD1-CD1 3.7Å; F239-I242 HydrophobicContact CE1-CD1 4.27Å; F239-I242 HydrophobicContact CG-CD1 4.37Å; F239-I242 PolarHBondContact O-N 2.93Å; F239-I242 VanDerWaalsContact O-N 3.09Å; F239-P268 HydrophobicContact CB-CB 3.94Å; F239-P268 HydrophobicContact CB-CG 4.18Å; F239-P268 HydrophobicContact CD1-CB 4.48Å; F239-P268 HydrophobicContact CD2-CB 3.4Å; F239-P268 HydrophobicContact CD2-CG 3.91Å; F239-P268 HydrophobicContact CE2-CB 3.89Å; F239-P268 HydrophobicContact CG-CB 3.72Å; F239-P268 HydrophobicContact CG-CG 4.35Å; F239-E269 VanDerWaalsContact CE2-CD 3.49Å; F239-E269 HydrophobicContact CE2-CG 3.84Å; F239-E269 HydrophobicContact CZ-CG 4.02Å; F239-L272 HydrophobicContact CE1-CD1 3.93Å; F239-L272 HydrophobicContact CZ-CD1 4.36Å; F239-L365 HydrophobicContact CE1-CG 4.39Å; F239-L365 HydrophobicContact CZ-CD1 4Å; F239-L365 HydrophobicContact CZ-CD2 3.86Å; F239-L365 HydrophobicContact CZ-CG 3.86Å; F239-A369 HydrophobicContact CD1-CB 4.19Å; F239-A369 HydrophobicContact CE1-CB 3.83Å
240A87.9Confident89.9Confident19 Ų1931.2 Ų31.216%0.15716%0.16CC..THydrogen-bonded Turntrans-56.7-34.5-176.400000113.2V236 G237 R246V236-A240 PolarHBondContact O-N 3.21Å; V236-A240 VanDerWaalsContact O-N 3.15Å; G237-A240 PolarHBondContact O-N 2.87Å; A240-R246 WeakPolarHBondContact O-CD 3.12Å; A240-R246 PolarHBondContact O-NE 3.3Å; A240-R246 PolarHBondContact O-NH1 3.36Å
241D85.8Confident89.7Confident84 Ų8431.3 Ų31.345%0.44916%0.16SC..THydrogen-bonded Turntrans-101.83.7-178.7-62.1-34.1000113.5F239 E243 R246F239-D241 PolarHBondContact O-N 3.2Å; D241-E243 PolarHBondContact O-N 2.72Å; D241-E243 VanDerWaalsContact O-N 3.15Å; D241-R246 IonicContact OD1-NH1 2.63Å
242I91.3Very high89.6Confident3 Ų330.9 Ų30.92%0.01516%0.164CC..  trans-92.855.6177.9-45.1-178.1000108.7L238 F239 P268 L271 L272 A369 F372L238-I242 WeakPolarHBondContact O-CD1 3.34Å; F239-I242 HydrophobicContact CD1-CD1 3.7Å; F239-I242 HydrophobicContact CE1-CD1 4.27Å; F239-I242 HydrophobicContact CG-CD1 4.37Å; F239-I242 PolarHBondContact O-N 2.93Å; F239-I242 VanDerWaalsContact O-N 3.09Å; I242-P268 HydrophobicContact CB-CB 4.25Å; I242-P268 HydrophobicContact CG2-CB 4.21Å; I242-L271 HydrophobicContact CG2-CB 4.05Å; I242-L271 HydrophobicContact CG2-CD1 4.49Å; I242-L272 HydrophobicContact CD1-CD1 3.68Å; I242-L272 HydrophobicContact CD1-CD2 3.76Å; I242-L272 HydrophobicContact CD1-CG 3.75Å; I242-L272 HydrophobicContact CG2-CD2 4.36Å; I242-L272 HydrophobicContact CG2-CG 4.14Å; I242-A369 HydrophobicContact CD1-CB 4.12Å; I242-F372 HydrophobicContact CB-CE1 4.37Å; I242-F372 HydrophobicContact CD1-CD1 4.2Å; I242-F372 HydrophobicContact CG1-CD1 3.75Å; I242-F372 HydrophobicContact CG1-CE1 3.86Å; I242-F372 HydrophobicContact CG2-CE1 4.44Å
243E85.9Confident89.5Confident48 Ų4828.8 Ų28.822%0.22415%0.154CC..SBendtrans-144.8134.5-177.8-167.2-170.9156.900108.7D241 S245 R246 N247D241-E243 PolarHBondContact O-N 2.72Å; D241-E243 VanDerWaalsContact O-N 3.15Å; E243-S245 VanDerWaalsContact C-N 3.26Å; E243-S245 WeakPolarHBondContact CG-OG 3.36Å; E243-S245 PolarHBondContact O-N 3.48Å; E243-S245 PolarHBondContact OE1-OG 3.35Å; E243-R246 PolarHBondContact O-N 3.44Å; E243-R246 IonicContact OE2-NE 3.9Å; E243-N247 PolarHBondContact O-N 3.44Å
244I84.9Confident89.3Confident6 Ų631 Ų313%0.03117%0.165CC..THydrogen-bonded Turntrans-63.1-34.7-172.9-52.3176.1000111.6R246 N247 E248 L250 I251 L260 L263 M264 L391I244-R246 PolarHBondContact O-N 3.32Å; I244-N247 CarbonylContact O-C 3.5Å; I244-N247 VanDerWaalsContact O-C 3.27Å; I244-N247 PolarHBondContact O-N 3.48Å; I244-E248 PolarHBondContact O-N 2.89Å; I244-L250 HydrophobicContact CG1-CB 4.06Å; I244-L250 HydrophobicContact CG1-CD1 4.39Å; I244-I251 HydrophobicContact CG2-CD1 4.39Å; I244-I251 HydrophobicContact CG2-CG1 3.69Å; I244-L260 HydrophobicContact CD1-CD1 4.43Å; I244-L263 HydrophobicContact CD1-CB 4.16Å; I244-L263 HydrophobicContact CD1-CD2 3.71Å; I244-L263 HydrophobicContact CD1-CG 3.68Å; I244-M264 HydrophobicContact CD1-CB 4.42Å; I244-M264 HydrophobicContact CD1-CG 3.79Å; I244-L391 HydrophobicContact CG2-CD2 3.65Å
245S82.6Confident89.1Confident35 Ų3535.9 Ų35.925%0.24519%0.192CC..THydrogen-bonded Turntrans-64.1-25.1177.967.70000113.4E243E243-S245 VanDerWaalsContact C-N 3.26Å; E243-S245 WeakPolarHBondContact CG-OG 3.36Å; E243-S245 PolarHBondContact O-N 3.48Å; E243-S245 PolarHBondContact OE1-OG 3.35Å
246R82.6Confident88.7Confident121 Ų12143.1 Ų43.146%0.45723%0.226SC..THydrogen-bonded Turntrans-100-31.1178.5-68.8177.2175.5-134.47.5112.4A240 D241 E243 I244A240-R246 WeakPolarHBondContact O-CD 3.12Å; A240-R246 PolarHBondContact O-NE 3.3Å; A240-R246 PolarHBondContact O-NH1 3.36Å; D241-R246 IonicContact OD1-NH1 2.63Å; E243-R246 PolarHBondContact O-N 3.44Å; E243-R246 IonicContact OE2-NE 3.9Å; I244-R246 PolarHBondContact O-N 3.32Å
247N86.9Confident88.3Confident35 Ų3545.9 Ų45.919%0.18726%0.259CS..  trans-130.287.3178.8-171.9-9.8000110.7E243 I244 A249 L250 F372E243-N247 PolarHBondContact O-N 3.44Å; I244-N247 CarbonylContact O-C 3.5Å; I244-N247 VanDerWaalsContact O-C 3.27Å; I244-N247 PolarHBondContact O-N 3.48Å; N247-A249 PolarHBondContact O-N 3.4Å; N247-A249 VanDerWaalsContact OD1-CB 3.26Å; N247-A249 WeakPolarHBondContact OD1-CB 3.33Å; N247-A249 PolarHBondContact OD1-N 2.91Å; N247-L250 HydrophobicContact CB-CD1 4.13Å; N247-L250 HydrophobicContact CB-CG 4.36Å; N247-L250 VanDerWaalsContact O-CB 3.32Å; N247-L250 WeakPolarHBondContact O-CB 3.46Å; N247-L250 WeakPolarHBondContact O-CG 3.18Å; N247-L250 PolarHBondContact O-N 3.43Å; N247-F372 WeakPolarHBondContact ND2-CZ 3.32Å
248E87.4Confident88.1Confident75 Ų7546.5 Ų46.535%0.3526%0.257SS..G310 helixtrans-60.5-17.5-179.8-60.4-177.7178.100113.3I244 L250 I251 K380I244-E248 PolarHBondContact O-N 2.89Å; E248-L250 PolarHBondContact O-N 3.21Å; E248-I251 HydrophobicContact CB-CD1 4.3Å; E248-I251 VanDerWaalsContact O-CB 3.29Å; E248-I251 WeakPolarHBondContact O-CB 3.5Å; E248-I251 WeakPolarHBondContact O-CD1 3.44Å; E248-I251 WeakPolarHBondContact O-CG1 3.31Å; E248-I251 PolarHBondContact O-N 2.84Å; E248-I251 VanDerWaalsContact O-N 3.17Å; E248-K380 HydrophobicContact CB-CD 4.31Å; E248-K380 WeakPolarHBondContact OE2-CD 3.39Å; E248-K380 WeakPolarHBondContact OE2-CE 3.23Å; E248-K380 IonicContact OE2-NZ 3.97Å; E248-K380 PolarHBondContact OE2-NZ 2.83Å
249A88.5Confident87.9Confident15 Ų1551.8 Ų51.812%0.12428%0.281CS..G310 helixtrans-65.3-22176.400000112.1N247 I251 A252 L378N247-A249 PolarHBondContact O-N 3.4Å; N247-A249 VanDerWaalsContact OD1-CB 3.26Å; N247-A249 WeakPolarHBondContact OD1-CB 3.33Å; N247-A249 PolarHBondContact OD1-N 2.91Å; A249-I251 PolarHBondContact O-N 3.18Å; A249-I251 VanDerWaalsContact O-N 3.15Å; A249-A252 VanDerWaalsContact O-CB 3.25Å; A249-A252 WeakPolarHBondContact O-CB 3.45Å; A249-A252 PolarHBondContact O-N 3.38Å; A249-L378 HydrophobicContact CB-CB 3.67Å; A249-L378 WeakPolarHBondContact O-CD1 3.45Å
250L91.1Very high87.7Confident0 Ų051.3 Ų51.30%028%0.279CS..G310 helixtrans-60.1-20.6173.9-73.4170000113.4I244 N247 E248 A252 L253 F372 L378I244-L250 HydrophobicContact CG1-CB 4.06Å; I244-L250 HydrophobicContact CG1-CD1 4.39Å; N247-L250 HydrophobicContact CB-CD1 4.13Å; N247-L250 HydrophobicContact CB-CG 4.36Å; N247-L250 VanDerWaalsContact O-CB 3.32Å; N247-L250 WeakPolarHBondContact O-CB 3.46Å; N247-L250 WeakPolarHBondContact O-CG 3.18Å; N247-L250 PolarHBondContact O-N 3.43Å; E248-L250 PolarHBondContact O-N 3.21Å; L250-A252 PolarHBondContact O-N 3.33Å; L250-A252 VanDerWaalsContact O-N 3.15Å; L250-L253 HydrophobicContact CD2-CD1 3.58Å; L250-L253 VanDerWaalsContact O-CB 3.23Å; L250-L253 WeakPolarHBondContact O-CB 3.3Å; L250-L253 WeakPolarHBondContact O-CG 3.36Å; L250-L253 PolarHBondContact O-N 3.08Å; L250-F372 HydrophobicContact CD1-CZ 4.27Å; L250-F372 HydrophobicContact CD2-CE2 3.63Å; L250-F372 HydrophobicContact CD2-CZ 3.55Å; L250-F372 HydrophobicContact CG-CZ 4.02Å; L250-L378 HydrophobicContact CD2-CD1 4.09Å
251I89.9Confident87.5Confident3 Ų354 Ų542%0.01529%0.289CS..G310 helixtrans-57.5-28173.7-62.6172000111.2I244 E248 A249 L253 L254 L260 P381 I386 L391I244-I251 HydrophobicContact CG2-CD1 4.39Å; I244-I251 HydrophobicContact CG2-CG1 3.69Å; E248-I251 HydrophobicContact CB-CD1 4.3Å; E248-I251 VanDerWaalsContact O-CB 3.29Å; E248-I251 WeakPolarHBondContact O-CB 3.5Å; E248-I251 WeakPolarHBondContact O-CD1 3.44Å; E248-I251 WeakPolarHBondContact O-CG1 3.31Å; E248-I251 PolarHBondContact O-N 2.84Å; E248-I251 VanDerWaalsContact O-N 3.17Å; A249-I251 PolarHBondContact O-N 3.18Å; A249-I251 VanDerWaalsContact O-N 3.15Å; I251-L253 PolarHBondContact O-N 3.43Å; I251-L254 HydrophobicContact CG2-CD1 3.9Å; I251-L254 WeakPolarHBondContact O-CB 3.43Å; I251-L254 WeakPolarHBondContact O-CG 3.26Å; I251-L254 PolarHBondContact O-N 3.42Å; I251-L254 VanDerWaalsContact O-N 3.12Å; I251-L260 HydrophobicContact CG1-CD1 4.21Å; I251-P381 HydrophobicContact CB-CG 4.25Å; I251-P381 HydrophobicContact CG2-CG 3.65Å; I251-I386 HydrophobicContact CG2-CD1 3.36Å; I251-L391 HydrophobicContact CD1-CD1 3.95Å; I251-L391 HydrophobicContact CD1-CD2 4.31Å
252A90.4Very high87.6Confident23 Ų2355.1 Ų55.119%0.1929%0.291CS..G310 helixtrans-61.4-13.517500000113.9A249 L250 L254 L378A249-A252 VanDerWaalsContact O-CB 3.25Å; A249-A252 WeakPolarHBondContact O-CB 3.45Å; A249-A252 PolarHBondContact O-N 3.38Å; L250-A252 PolarHBondContact O-N 3.33Å; L250-A252 VanDerWaalsContact O-N 3.15Å; A252-L254 VanDerWaalsContact C-N 3.33Å; A252-L378 HydrophobicContact CB-CD2 4.31Å
253L92.5Very high87.5Confident4 Ų455 Ų552%0.02129%0.291CS..G310 helixtrans-84.5-3.6178.2-56.7-179.1000113.6L250 I251 N255 L263 R274 W275 Y278 L378L250-L253 HydrophobicContact CD2-CD1 3.58Å; L250-L253 VanDerWaalsContact O-CB 3.23Å; L250-L253 WeakPolarHBondContact O-CB 3.3Å; L250-L253 WeakPolarHBondContact O-CG 3.36Å; L250-L253 PolarHBondContact O-N 3.08Å; I251-L253 PolarHBondContact O-N 3.43Å; L253-N255 PolarHBondContact O-N 3.4Å; L253-L263 HydrophobicContact CB-CD1 4.41Å; L253-R274 HydrophobicContact CB-CG 4.15Å; L253-R274 VanDerWaalsContact O-CZ 3.28Å; L253-R274 PolarHBondContact O-NE 2.92Å; L253-R274 PolarHBondContact O-NH2 3.13Å; L253-R274 VanDerWaalsContact O-NH2 3.17Å; L253-W275 HydrophobicContact CD1-CB 3.94Å; L253-W275 HydrophobicContact CD2-CB 4.36Å; L253-Y278 HydrophobicContact CD2-CD1 4.31Å; L253-Y278 HydrophobicContact CD2-CD2 4.17Å; L253-Y278 HydrophobicContact CD2-CG 3.79Å; L253-L378 HydrophobicContact CD1-CD1 4.37Å; L253-L378 HydrophobicContact CD2-CD1 4.15Å; L253-L378 HydrophobicContact CD2-CD2 4.03Å; L253-L378 HydrophobicContact CG-CD1 4.11Å
254L90.9Very high87.6Confident47 Ų4755.2 Ų55.225%0.24629%0.293CS..PPolyproline II helixtrans-56.6132.8175.4-80.9168.4000111.5I251 A252 E258 L260 L263I251-L254 HydrophobicContact CG2-CD1 3.9Å; I251-L254 WeakPolarHBondContact O-CB 3.43Å; I251-L254 WeakPolarHBondContact O-CG 3.26Å; I251-L254 PolarHBondContact O-N 3.42Å; I251-L254 VanDerWaalsContact O-N 3.12Å; A252-L254 VanDerWaalsContact C-N 3.33Å; L254-E258 HydrophobicContact CD2-CB 4.46Å; L254-E258 HydrophobicContact CD2-CG 4.3Å; L254-L260 HydrophobicContact CD1-CD1 4.35Å; L254-L263 HydrophobicContact CD2-CB 3.77Å; L254-L263 HydrophobicContact CD2-CD2 3.98Å; L254-L263 HydrophobicContact CD2-CG 4.39Å; L254-L263 HydrophobicContact CG-CD2 3.86Å
255N88.8Confident87.7Confident104 Ų10460.4 Ų60.456%0.55632%0.315SS*.PPolyproline II helixtrans-80.6160.1172.9-77.7-12.3000110.5L253 G257 E258 R274L253-N255 PolarHBondContact O-N 3.4Å; N255-G257 PolarHBondContact O-N 3.27Å; N255-G257 VanDerWaalsContact O-N 3.16Å; N255-E258 HydrophobicContact CB-CB 4.2Å; N255-E258 PolarHBondContact N-OE2 3.41Å; N255-E258 VanDerWaalsContact N-OE2 3.09Å; N255-E258 PolarHBondContact O-N 3.21Å; N255-E258 VanDerWaalsContact O-N 3.15Å; N255-R274 VanDerWaalsContact CB-NH2 3.27Å; N255-R274 PolarHBondContact ND2-NH2 3.45Å; N255-R274 PolarHBondContact OD1-NH2 2.87Å
256E84.9Confident88.1Confident205 Ų20560.3 Ų60.396%0.95831%0.311SS*.THydrogen-bonded Turntrans-58.3120.2172-66.5-174.2174.100110.9
257G84.5Confident88.5Confident83 Ų8355.3 Ų55.386%0.85630%0.295SS*.THydrogen-bonded Turntrans81.78.2178.700000115.5N255N255-G257 PolarHBondContact O-N 3.27Å; N255-G257 VanDerWaalsContact O-N 3.16Å
258E89.3Confident88.8Confident35 Ų3554.5 Ų54.516%0.16429%0.292CS..  trans-94.3138.4172.6-174.6-169.8-138.600111L254 N255 E262 R274L254-E258 HydrophobicContact CD2-CB 4.46Å; L254-E258 HydrophobicContact CD2-CG 4.3Å; N255-E258 HydrophobicContact CB-CB 4.2Å; N255-E258 PolarHBondContact N-OE2 3.41Å; N255-E258 VanDerWaalsContact N-OE2 3.09Å; N255-E258 PolarHBondContact O-N 3.21Å; N255-E258 VanDerWaalsContact O-N 3.15Å; E258-E262 HydrophobicContact CG-CB 3.81Å; E258-R274 VanDerWaalsContact CD-NH2 3.35Å; E258-R274 IonicContact OE1-CZ 3.88Å; E258-R274 IonicContact OE1-NH1 3.66Å; E258-R274 PolarHBondContact OE1-NH1 3.02Å; E258-R274 IonicContact OE1-NH2 2.7Å; E258-R274 PolarHBondContact OE1-NH2 3.13Å; E258-R274 IonicContact OE2-CZ 3.93Å; E258-R274 IonicContact OE2-NH1 3.09Å; E258-R274 PolarHBondContact OE2-NH1 2.93Å; E258-R274 VanDerWaalsContact OE2-NH1 3.17Å; E258-R274 IonicContact OE2-NH2 3.51Å; E258-R274 PolarHBondContact OE2-NH2 3.43Å
259E87.9Confident89Confident122 Ų12253.3 Ų53.357%0.5729%0.286SS*.  trans-83.6153.2176.3-59.7-62.5155.400112E261 E262 L263E259-E261 PolarHBondContact O-N 2.81Å; E259-E262 WeakPolarHBondContact O-CB 3.28Å; E259-E262 PolarHBondContact O-N 2.84Å; E259-L263 PolarHBondContact O-N 3.29Å
260L86.6Confident89.2Confident10 Ų1057.2 Ų57.25%0.05230%0.302CS..Hα-helixtrans-58.1-37.7-178.8-179.862000112.4I244 I251 L254 E262 L263 M264 I386 L390 L391I244-L260 HydrophobicContact CD1-CD1 4.43Å; I251-L260 HydrophobicContact CG1-CD1 4.21Å; L254-L260 HydrophobicContact CD1-CD1 4.35Å; L260-E262 PolarHBondContact O-N 2.86Å; L260-L263 PolarHBondContact O-N 3.42Å; L260-L263 VanDerWaalsContact O-N 3.16Å; L260-M264 HydrophobicContact CD1-CG 4.4Å; L260-M264 HydrophobicContact CD2-SD 4.42Å; L260-M264 HydrophobicContact CG-CG 4.25Å; L260-M264 HydrophobicContact CG-SD 4.07Å; L260-M264 WeakPolarHBondContact O-CG 3.49Å; L260-M264 PolarHBondContact O-N 3.41Å; L260-I386 HydrophobicContact CD2-CG2 3.72Å; L260-L390 HydrophobicContact CD2-CB 4.37Å; L260-L390 HydrophobicContact CD2-CD1 4.48Å; L260-L391 HydrophobicContact CD2-CD2 4.07Å; L260-L391 HydrophobicContact CD2-CG 4.43Å
261E85.3Confident89.4Confident77 Ų7757.5 Ų57.536%0.3630%0.303SS..Hα-helixtrans-65.5-22.7179.4-62.689.5159.100113.2E259 K265 L390E259-E261 PolarHBondContact O-N 2.81Å; E261-K265 VanDerWaalsContact O-CD 3.26Å; E261-K265 WeakPolarHBondContact O-CD 3.47Å; E261-K265 VanDerWaalsContact O-CE 3.23Å; E261-K265 WeakPolarHBondContact O-CE 3.32Å; E261-K265 VanDerWaalsContact O-CG 3.22Å; E261-K265 WeakPolarHBondContact O-CG 3.32Å; E261-L390 WeakPolarHBondContact OE1-CD1 3.46Å
262E87.7Confident89.8Confident106 Ų10657.4 Ų57.450%0.49530%0.303SS..Hα-helixtrans-75.5-42.7173.3-64.5-171.3-168.800110.7E258 E259 L260 M264 K265E258-E262 HydrophobicContact CG-CB 3.81Å; E259-E262 WeakPolarHBondContact O-CB 3.28Å; E259-E262 PolarHBondContact O-N 2.84Å; L260-E262 PolarHBondContact O-N 2.86Å; E262-M264 VanDerWaalsContact C-N 3.34Å; E262-M264 PolarHBondContact O-N 3.29Å; E262-K265 PolarHBondContact O-N 3Å
263L89.4Confident90Very high0 Ų058.1 Ų58.10%030%0.303CS..Hα-helixtrans-64.1-39.4175.3-170.672000111.7I244 L253 L254 E259 L260 K265 L266 L271I244-L263 HydrophobicContact CD1-CB 4.16Å; I244-L263 HydrophobicContact CD1-CD2 3.71Å; I244-L263 HydrophobicContact CD1-CG 3.68Å; L253-L263 HydrophobicContact CB-CD1 4.41Å; L254-L263 HydrophobicContact CD2-CB 3.77Å; L254-L263 HydrophobicContact CD2-CD2 3.98Å; L254-L263 HydrophobicContact CD2-CG 4.39Å; L254-L263 HydrophobicContact CG-CD2 3.86Å; E259-L263 PolarHBondContact O-N 3.29Å; L260-L263 PolarHBondContact O-N 3.42Å; L260-L263 VanDerWaalsContact O-N 3.16Å; L263-K265 PolarHBondContact O-N 3.4Å; L263-L266 HydrophobicContact CD1-CD1 3.86Å; L263-L266 WeakPolarHBondContact O-CB 3.49Å; L263-L266 WeakPolarHBondContact O-CG 3.43Å; L263-L266 PolarHBondContact O-N 3.17Å; L263-L266 VanDerWaalsContact O-N 3.15Å; L263-L271 HydrophobicContact CD1-CD2 3.95Å; L263-L271 HydrophobicContact CG-CD2 4.18Å
264M86.6Confident90.2Very high54 Ų5459.6 Ų59.627%0.26631%0.308SS..THydrogen-bonded Turntrans-63.5-21.5177.5-73.2177.974.700113.8I244 L260 E262 L266 L390 H416I244-M264 HydrophobicContact CD1-CB 4.42Å; I244-M264 HydrophobicContact CD1-CG 3.79Å; L260-M264 HydrophobicContact CD1-CG 4.4Å; L260-M264 HydrophobicContact CD2-SD 4.42Å; L260-M264 HydrophobicContact CG-CG 4.25Å; L260-M264 HydrophobicContact CG-SD 4.07Å; L260-M264 WeakPolarHBondContact O-CG 3.49Å; L260-M264 PolarHBondContact O-N 3.41Å; E262-M264 VanDerWaalsContact C-N 3.34Å; E262-M264 PolarHBondContact O-N 3.29Å; M264-L266 VanDerWaalsContact C-N 3.31Å; M264-L390 VanDerWaalsContact CE-O 3.28Å; M264-L390 WeakPolarHBondContact CE-O 3.42Å; M264-H416 PolarHBondContact O-CD2 3.23Å; M264-H416 VanDerWaalsContact O-CD2 3.31Å; M264-H416 PolarHBondContact O-CE1 2.92Å; M264-H416 VanDerWaalsContact O-CE1 3.25Å; M264-H416 PolarHBondContact O-NE2 3.42Å
265K87.8Confident90.5Very high114 Ų11457.4 Ų57.450%0.49630%0.297SS..THydrogen-bonded Turntrans-81.9-11.6178-70.4163.8-169.4159.50113.1E261 E262 L263E261-K265 VanDerWaalsContact O-CD 3.26Å; E261-K265 WeakPolarHBondContact O-CD 3.47Å; E261-K265 VanDerWaalsContact O-CE 3.23Å; E261-K265 WeakPolarHBondContact O-CE 3.32Å; E261-K265 VanDerWaalsContact O-CG 3.22Å; E261-K265 WeakPolarHBondContact O-CG 3.32Å; E262-K265 PolarHBondContact O-N 3Å; L263-K265 PolarHBondContact O-N 3.4Å
266L90.7Very high91Very high34 Ų3452.6 Ų52.618%0.17827%0.271CS..SBendtrans-68.1141.2-179.5-64.1-170.8000111.1L263 M264 E270 L271 H416L263-L266 HydrophobicContact CD1-CD1 3.86Å; L263-L266 WeakPolarHBondContact O-CB 3.49Å; L263-L266 WeakPolarHBondContact O-CG 3.43Å; L263-L266 PolarHBondContact O-N 3.17Å; L263-L266 VanDerWaalsContact O-N 3.15Å; M264-L266 VanDerWaalsContact C-N 3.31Å; L266-E270 HydrophobicContact CB-CB 3.97Å; L266-E270 HydrophobicContact CD1-CB 4.3Å; L266-E270 HydrophobicContact CD2-CB 4.16Å; L266-E270 HydrophobicContact CG-CB 4.38Å; L266-L271 HydrophobicContact CB-CD2 4.11Å; L266-L271 HydrophobicContact CB-CG 3.92Å; L266-L271 HydrophobicContact CD1-CD2 4.16Å; L266-H416 PolarHBondContact O-NE2 3.24Å
267S91.2Very high91.6Very high15 Ų1544.2 Ų44.211%0.10523%0.233CC..  trans-65.8157.7167.260.40000111E269 E270 L271 N415S267-E269 PolarHBondContact O-N 3.28Å; S267-E270 WeakPolarHBondContact CB-OE2 3.45Å; S267-E270 PolarHBondContact N-OE2 2.69Å; S267-E270 PolarHBondContact O-N 3.1Å; S267-E270 VanDerWaalsContact OG-CD 3.23Å; S267-E270 VanDerWaalsContact OG-CG 3.27Å; S267-E270 WeakPolarHBondContact OG-CG 3.15Å; S267-E270 PolarHBondContact OG-N 3.46Å; S267-E270 PolarHBondContact OG-OE2 2.82Å; S267-L271 PolarHBondContact O-N 2.97Å; S267-N415 WeakPolarHBondContact CB-ND2 3.22Å
268P92.4Very high92.2Very high19 Ų1944.1 Ų44.112%0.12321%0.207CC..Hα-helixtrans-53.7-36.2173.4-2937000113.4F239 I242 L271 L272F239-P268 HydrophobicContact CB-CB 3.94Å; F239-P268 HydrophobicContact CB-CG 4.18Å; F239-P268 HydrophobicContact CD1-CB 4.48Å; F239-P268 HydrophobicContact CD2-CB 3.4Å; F239-P268 HydrophobicContact CD2-CG 3.91Å; F239-P268 HydrophobicContact CE2-CB 3.89Å; F239-P268 HydrophobicContact CG-CB 3.72Å; F239-P268 HydrophobicContact CG-CG 4.35Å; I242-P268 HydrophobicContact CB-CB 4.25Å; I242-P268 HydrophobicContact CG2-CB 4.21Å; P268-L271 PolarHBondContact O-N 3.39Å; P268-L272 WeakPolarHBondContact O-CB 3.39Å; P268-L272 WeakPolarHBondContact O-CG 3.35Å; P268-L272 PolarHBondContact O-N 2.98Å
269E92.4Very high92.6Very high50 Ų5042.7 Ų42.723%0.23420%0.201CC..Hα-helixtrans-64.6-41.9176-6594.2153.900112.9K235 F239 S267 L272 L273 L365K235-E269 WeakPolarHBondContact CE-OE1 3.4Å; K235-E269 IonicContact NZ-OE1 2.72Å; K235-E269 PolarHBondContact NZ-OE1 2.7Å; F239-E269 VanDerWaalsContact CE2-CD 3.49Å; F239-E269 HydrophobicContact CE2-CG 3.84Å; F239-E269 HydrophobicContact CZ-CG 4.02Å; S267-E269 PolarHBondContact O-N 3.28Å; E269-L272 PolarHBondContact O-N 3.44Å; E269-L273 PolarHBondContact O-N 3.39Å; E269-L365 HydrophobicContact CB-CD1 4.47Å; E269-L365 HydrophobicContact CG-CD1 4.06Å; E269-L365 HydrophobicContact CG-CD2 3.73Å
270E93.9Very high93Very high97 Ų9736.9 Ų36.945%0.45317%0.173SC..Hα-helixtrans-68.4-40177.1-72.6163145.300111.1L266 S267 L273 R274L266-E270 HydrophobicContact CB-CB 3.97Å; L266-E270 HydrophobicContact CD1-CB 4.3Å; L266-E270 HydrophobicContact CD2-CB 4.16Å; L266-E270 HydrophobicContact CG-CB 4.38Å; S267-E270 WeakPolarHBondContact CB-OE2 3.45Å; S267-E270 PolarHBondContact N-OE2 2.69Å; S267-E270 PolarHBondContact O-N 3.1Å; S267-E270 VanDerWaalsContact OG-CD 3.23Å; S267-E270 VanDerWaalsContact OG-CG 3.27Å; S267-E270 WeakPolarHBondContact OG-CG 3.15Å; S267-E270 PolarHBondContact OG-N 3.46Å; S267-E270 PolarHBondContact OG-OE2 2.82Å; E270-L273 PolarHBondContact O-N 3.12Å; E270-R274 VanDerWaalsContact O-CB 3.3Å; E270-R274 WeakPolarHBondContact O-CB 3.36Å; E270-R274 PolarHBondContact O-N 3.25Å
271L95.2Very high93.5Very high6 Ų640.3 Ų40.33%0.03120%0.195CC..Hα-helixtrans-61.7-42.9173.1-74.2172.5000111.8I242 L263 L266 S267 P268 R274 W275I242-L271 HydrophobicContact CG2-CB 4.05Å; I242-L271 HydrophobicContact CG2-CD1 4.49Å; L263-L271 HydrophobicContact CD1-CD2 3.95Å; L263-L271 HydrophobicContact CG-CD2 4.18Å; L266-L271 HydrophobicContact CB-CD2 4.11Å; L266-L271 HydrophobicContact CB-CG 3.92Å; L266-L271 HydrophobicContact CD1-CD2 4.16Å; S267-L271 PolarHBondContact O-N 2.97Å; P268-L271 PolarHBondContact O-N 3.39Å; L271-R274 WeakPolarHBondContact O-CB 3.33Å; L271-R274 PolarHBondContact O-N 3.38Å; L271-W275 WeakPolarHBondContact O-CB 3.48Å; L271-W275 PolarHBondContact O-N 3.34Å
272L96.6Very high94Very high0 Ų040.8 Ų40.80%020%0.2CC..Hα-helixtrans-63-43.8174.6-79.8178000112.3F239 I242 P268 E269 R274 W275 V276 F291 L365 V368 A369 F372F239-L272 HydrophobicContact CE1-CD1 3.93Å; F239-L272 HydrophobicContact CZ-CD1 4.36Å; I242-L272 HydrophobicContact CD1-CD1 3.68Å; I242-L272 HydrophobicContact CD1-CD2 3.76Å; I242-L272 HydrophobicContact CD1-CG 3.75Å; I242-L272 HydrophobicContact CG2-CD2 4.36Å; I242-L272 HydrophobicContact CG2-CG 4.14Å; P268-L272 WeakPolarHBondContact O-CB 3.39Å; P268-L272 WeakPolarHBondContact O-CG 3.35Å; P268-L272 PolarHBondContact O-N 2.98Å; E269-L272 PolarHBondContact O-N 3.44Å; L272-R274 PolarHBondContact O-N 3.37Å; L272-W275 HydrophobicContact CD2-CE3 4.34Å; L272-W275 PolarHBondContact O-N 2.92Å; L272-V276 WeakPolarHBondContact O-CG2 3.35Å; L272-V276 PolarHBondContact O-N 2.93Å; L272-F291 HydrophobicContact CB-CE2 4.34Å; L272-F291 HydrophobicContact CB-CZ 4.13Å; L272-L365 HydrophobicContact CD1-CD1 3.78Å; L272-V368 HydrophobicContact CB-CG1 4.27Å; L272-V368 HydrophobicContact CD1-CG1 4.42Å; L272-V368 HydrophobicContact CD2-CG1 4.15Å; L272-A369 HydrophobicContact CD1-CB 3.78Å; L272-F372 HydrophobicContact CD2-CB 3.61Å; L272-F372 HydrophobicContact CD2-CD1 4.41Å; L272-F372 HydrophobicContact CD2-CD2 4.36Å; L272-F372 HydrophobicContact CD2-CG 3.88Å
273L96.5Very high94.4Very high38 Ų3837.1 Ų37.120%0.19919%0.188CC..Hα-helixtrans-60.6-41.5177.1-175.864.6000110.6E269 E270 V276 N277 I288 F291E269-L273 PolarHBondContact O-N 3.39Å; E270-L273 PolarHBondContact O-N 3.12Å; L273-V276 PolarHBondContact O-N 2.87Å; L273-N277 WeakPolarHBondContact O-CB 3.46Å; L273-N277 PolarHBondContact O-N 3.34Å; L273-N277 PolarHBondContact O-ND2 3.21Å; L273-I288 HydrophobicContact CD1-CD1 3.98Å; L273-I288 HydrophobicContact CD1-CG1 3.77Å; L273-F291 HydrophobicContact CB-CE2 4.3Å; L273-F291 HydrophobicContact CB-CZ 4.1Å; L273-F291 HydrophobicContact CD1-CE1 4.32Å; L273-F291 HydrophobicContact CD1-CZ 4.11Å
274R96.3Very high94.7Very high36 Ų3640.6 Ų40.614%0.13622%0.223CC..Hα-helixtrans-65.3-42.9176.9-163.5169.1-168.3151.12.9112.6L253 N255 E258 E270 L271 L272 N277 Y278L253-R274 HydrophobicContact CB-CG 4.15Å; L253-R274 VanDerWaalsContact O-CZ 3.28Å; L253-R274 PolarHBondContact O-NE 2.92Å; L253-R274 PolarHBondContact O-NH2 3.13Å; L253-R274 VanDerWaalsContact O-NH2 3.17Å; N255-R274 VanDerWaalsContact CB-NH2 3.27Å; N255-R274 PolarHBondContact ND2-NH2 3.45Å; N255-R274 PolarHBondContact OD1-NH2 2.87Å; E258-R274 VanDerWaalsContact CD-NH2 3.35Å; E258-R274 IonicContact OE1-CZ 3.88Å; E258-R274 IonicContact OE1-NH1 3.66Å; E258-R274 PolarHBondContact OE1-NH1 3.02Å; E258-R274 IonicContact OE1-NH2 2.7Å; E258-R274 PolarHBondContact OE1-NH2 3.13Å; E258-R274 IonicContact OE2-CZ 3.93Å; E258-R274 IonicContact OE2-NH1 3.09Å; E258-R274 PolarHBondContact OE2-NH1 2.93Å; E258-R274 VanDerWaalsContact OE2-NH1 3.17Å; E258-R274 IonicContact OE2-NH2 3.51Å; E258-R274 PolarHBondContact OE2-NH2 3.43Å; E270-R274 VanDerWaalsContact O-CB 3.3Å; E270-R274 WeakPolarHBondContact O-CB 3.36Å; E270-R274 PolarHBondContact O-N 3.25Å; L271-R274 WeakPolarHBondContact O-CB 3.33Å; L271-R274 PolarHBondContact O-N 3.38Å; L272-R274 PolarHBondContact O-N 3.37Å; R274-N277 PolarHBondContact O-N 3.27Å; R274-Y278 WeakPolarHBondContact O-CB 3.26Å; R274-Y278 PolarHBondContact O-N 2.82Å
275W97.5Very high95.2Very high0 Ų041.1 Ų41.10%022%0.223CC..Hα-helixtrans-60.6-46174.1170.676.7000112.5L253 L271 L272 N277 Y278 H279 L304 I308 V368 L371 F372 P376L253-W275 HydrophobicContact CD1-CB 3.94Å; L253-W275 HydrophobicContact CD2-CB 4.36Å; L271-W275 WeakPolarHBondContact O-CB 3.48Å; L271-W275 PolarHBondContact O-N 3.34Å; L272-W275 HydrophobicContact CD2-CE3 4.34Å; L272-W275 PolarHBondContact O-N 2.92Å; W275-N277 VanDerWaalsContact C-N 3.33Å; W275-N277 PolarHBondContact O-N 3.45Å; W275-Y278 WeakPolarHBondContact O-CB 3.49Å; W275-Y278 PolarHBondContact O-N 3.38Å; W275-H279 AromaticContact CD1-CD2 3.77Å; W275-H279 AromaticContact CD1-NE2 3.85Å; W275-H279 AromaticContact CE2-CD2 3.58Å; W275-H279 AromaticContact CE2-NE2 3.89Å; W275-H279 AromaticContact NE1-CD2 3.31Å; W275-H279 PolarHBondContact NE1-CD2 2.95Å; W275-H279 VanDerWaalsContact NE1-CD2 3.31Å; W275-H279 AromaticContact NE1-NE2 3.25Å; W275-H279 PolarHBondContact NE1-NE2 3.41Å; W275-H279 PolarHBondContact O-CD2 3.48Å; W275-H279 PolarHBondContact O-N 3.24Å; W275-L304 HydrophobicContact CH2-CD1 4.01Å; W275-L304 HydrophobicContact CH2-CD2 4.28Å; W275-L304 HydrophobicContact CH2-CG 4.45Å; W275-L304 HydrophobicContact CZ2-CD1 4.44Å; W275-L304 HydrophobicContact CZ3-CD1 4.15Å; W275-L304 HydrophobicContact CZ3-CD2 4.04Å; W275-I308 HydrophobicContact CH2-CD1 4.21Å; W275-I308 HydrophobicContact CH2-CG2 4.15Å; W275-I308 HydrophobicContact CZ2-CG2 3.68Å; W275-V368 HydrophobicContact CE3-CG1 4.27Å; W275-V368 HydrophobicContact CZ3-CG1 3.99Å; W275-L371 HydrophobicContact CH2-CB 4.01Å; W275-F372 HydrophobicContact CB-CD2 4.48Å; W275-F372 AromaticContact CD1-CD2 3.71Å; W275-F372 AromaticContact CD1-CE2 3.9Å; W275-F372 HydrophobicContact CD2-CB 4.36Å; W275-F372 AromaticContact CD2-CD2 3.69Å; W275-F372 HydrophobicContact CD2-CD2 3.69Å; W275-F372 HydrophobicContact CD2-CG 4.5Å; W275-F372 AromaticContact CE2-CD2 3.67Å; W275-F372 HydrophobicContact CE3-CB 4.23Å; W275-F372 HydrophobicContact CE3-CD2 4.33Å; W275-F372 AromaticContact CG-CD2 3.71Å; W275-F372 HydrophobicContact CG-CD2 3.71Å; W275-F372 HydrophobicContact CG-CE2 4.16Å; W275-F372 HydrophobicContact CH2-CB 4.18Å; W275-F372 HydrophobicContact CZ2-CB 4.28Å; W275-F372 HydrophobicContact CZ2-CD2 4.29Å; W275-F372 HydrophobicContact CZ3-CB 4.14Å; W275-F372 AromaticContact NE1-CD2 3.63Å; W275-P376 PolarHBondContact NE1-O 3.43Å
276V98.1Very high95.5Very high3 Ų341.3 Ų41.32%0.01823%0.225CC..Hα-helixtrans-60.6-46.7175.31720000110.2L272 L273 Y278 H279 L280 I288 F291 L304 V368L272-V276 WeakPolarHBondContact O-CG2 3.35Å; L272-V276 PolarHBondContact O-N 2.93Å; L273-V276 PolarHBondContact O-N 2.87Å; V276-Y278 VanDerWaalsContact C-N 3.34Å; V276-Y278 PolarHBondContact O-N 2.97Å; V276-H279 PolarHBondContact O-N 3.19Å; V276-L280 HydrophobicContact CG1-CD1 3.69Å; V276-L280 HydrophobicContact CG1-CG 3.99Å; V276-L280 VanDerWaalsContact O-CG 3.3Å; V276-L280 WeakPolarHBondContact O-CG 3.38Å; V276-L280 PolarHBondContact O-N 3.01Å; V276-I288 HydrophobicContact CB-CD1 4.45Å; V276-I288 HydrophobicContact CG1-CD1 3.71Å; V276-I288 HydrophobicContact CG1-CG1 4.09Å; V276-F291 HydrophobicContact CG2-CE1 3.98Å; V276-F291 HydrophobicContact CG2-CZ 4.38Å; V276-L304 HydrophobicContact CG1-CD2 4.24Å; V276-L304 HydrophobicContact CG2-CD1 4.47Å; V276-L304 HydrophobicContact CG2-CD2 3.86Å; V276-V368 HydrophobicContact CG2-CG1 3.68Å
277N97.7Very high95.8Very high29 Ų2943.7 Ų43.716%0.15524%0.241CC..Hα-helixtrans-65.7-34.3-179.2-77.4-25.4000113.8L273 R274 W275 L280 T281 T287 I288L273-N277 WeakPolarHBondContact O-CB 3.46Å; L273-N277 PolarHBondContact O-N 3.34Å; L273-N277 PolarHBondContact O-ND2 3.21Å; R274-N277 PolarHBondContact O-N 3.27Å; W275-N277 VanDerWaalsContact C-N 3.33Å; W275-N277 PolarHBondContact O-N 3.45Å; N277-L280 PolarHBondContact O-N 2.88Å; N277-T281 VanDerWaalsContact O-CB 3.32Å; N277-T281 WeakPolarHBondContact O-CB 3.34Å; N277-T281 PolarHBondContact O-N 3.01Å; N277-T281 PolarHBondContact O-OG1 2.94Å; N277-T287 HydrophobicContact CB-CG2 3.98Å; N277-T287 VanDerWaalsContact OD1-CA 3.27Å; N277-T287 WeakPolarHBondContact OD1-CA 3.39Å; N277-T287 WeakPolarHBondContact OD1-CB 3.34Å; N277-I288 PolarHBondContact ND2-O 3.5Å; N277-I288 WeakPolarHBondContact OD1-CG1 2.99Å; N277-I288 PolarHBondContact OD1-N 3.28Å; N277-I288 PolarHBondContact OD1-O 3.05Å
278Y96.9Very high96.1Very high82 Ų8243.3 Ų43.332%0.32224%0.238SC..Hα-helixtrans-56.2-52.1171.3172.6-93000110.6L253 R274 W275 V276 T281 N282 L378L253-Y278 HydrophobicContact CD2-CD1 4.31Å; L253-Y278 HydrophobicContact CD2-CD2 4.17Å; L253-Y278 HydrophobicContact CD2-CG 3.79Å; R274-Y278 WeakPolarHBondContact O-CB 3.26Å; R274-Y278 PolarHBondContact O-N 2.82Å; W275-Y278 WeakPolarHBondContact O-CB 3.49Å; W275-Y278 PolarHBondContact O-N 3.38Å; V276-Y278 VanDerWaalsContact C-N 3.34Å; V276-Y278 PolarHBondContact O-N 2.97Å; Y278-T281 PolarHBondContact O-N 3.44Å; Y278-N282 WeakPolarHBondContact CE1-ND2 3.35Å; Y278-N282 VanDerWaalsContact O-CG 3.29Å; Y278-N282 PolarHBondContact O-N 3.13Å; Y278-N282 VanDerWaalsContact O-N 3.08Å; Y278-N282 PolarHBondContact O-ND2 3.44Å; Y278-L378 HydrophobicContact CD1-CD2 3.75Å; Y278-L378 HydrophobicContact CE1-CD2 3.55Å
279H97.4Very high96.1Very high4 Ų446.3 Ų46.32%0.01926%0.259CS..Hα-helixtrans-68.9-39.6179.6-76.9-57.1000113.2W275 V276 T281 N282 A283 L304 Q307 P376 C377W275-H279 AromaticContact CD1-CD2 3.77Å; W275-H279 AromaticContact CD1-NE2 3.85Å; W275-H279 AromaticContact CE2-CD2 3.58Å; W275-H279 AromaticContact CE2-NE2 3.89Å; W275-H279 AromaticContact NE1-CD2 3.31Å; W275-H279 PolarHBondContact NE1-CD2 2.95Å; W275-H279 VanDerWaalsContact NE1-CD2 3.31Å; W275-H279 AromaticContact NE1-NE2 3.25Å; W275-H279 PolarHBondContact NE1-NE2 3.41Å; W275-H279 PolarHBondContact O-CD2 3.48Å; W275-H279 PolarHBondContact O-N 3.24Å; V276-H279 PolarHBondContact O-N 3.19Å; H279-T281 VanDerWaalsContact C-N 3.32Å; H279-T281 PolarHBondContact O-N 3.2Å; H279-N282 PolarHBondContact O-N 3.03Å; H279-A283 PolarHBondContact O-N 3.32Å; H279-L304 HydrophobicContact CB-CD1 3.74Å; H279-Q307 HydrophobicContact CB-CB 4.05Å; H279-Q307 HydrophobicContact CB-CG 4.45Å; H279-Q307 WeakPolarHBondContact O-CG 3.46Å; H279-P376 PolarHBondContact NE2-O 2.76Å; H279-P376 VanDerWaalsContact NE2-O 3.16Å; H279-C377 PolarHBondContact CE1-O 3.02Å
280L97.8Very high96.1Very high0 Ų046 Ų460%026%0.259CS..Hα-helixtrans-61.3-42.1175.5-69.7179.4000111.8V276 N277 A283 G284 W285 I288 A300 H303 L304V276-L280 HydrophobicContact CG1-CD1 3.69Å; V276-L280 HydrophobicContact CG1-CG 3.99Å; V276-L280 VanDerWaalsContact O-CG 3.3Å; V276-L280 WeakPolarHBondContact O-CG 3.38Å; V276-L280 PolarHBondContact O-N 3.01Å; N277-L280 PolarHBondContact O-N 2.88Å; L280-A283 CarbonylContact O-C 3.58Å; L280-A283 WeakPolarHBondContact O-CA 3.26Å; L280-A283 WeakPolarHBondContact O-CB 3.49Å; L280-A283 PolarHBondContact O-N 2.71Å; L280-A283 VanDerWaalsContact O-N 3.12Å; L280-G284 PolarHBondContact O-N 2.78Å; L280-W285 HydrophobicContact CB-CB 4.38Å; L280-W285 HydrophobicContact CD2-CB 4.4Å; L280-W285 HydrophobicContact CD2-CG 4.45Å; L280-W285 WeakPolarHBondContact O-CA 3.29Å; L280-W285 WeakPolarHBondContact O-CB 3.32Å; L280-W285 PolarHBondContact O-N 3.36Å; L280-I288 HydrophobicContact CD1-CG1 4.21Å; L280-I288 HydrophobicContact CD1-CG2 3.96Å; L280-A300 HydrophobicContact CD1-CB 4.23Å; L280-A300 HydrophobicContact CD2-CB 4.31Å; L280-A300 WeakPolarHBondContact CD2-O 3.04Å; L280-H303 HydrophobicContact CD2-CB 3.8Å; L280-L304 HydrophobicContact CD2-CB 4.48Å
281T96.7Very high96Very high82 Ų8242.3 Ų42.350%0.50324%0.242SC..Hα-helixtrans-63-43.6176.8-570000110.8N277 Y278 H279 A283 G284N277-T281 VanDerWaalsContact O-CB 3.32Å; N277-T281 WeakPolarHBondContact O-CB 3.34Å; N277-T281 PolarHBondContact O-N 3.01Å; N277-T281 PolarHBondContact O-OG1 2.94Å; Y278-T281 PolarHBondContact O-N 3.44Å; H279-T281 VanDerWaalsContact C-N 3.32Å; H279-T281 PolarHBondContact O-N 3.2Å; T281-A283 PolarHBondContact O-N 2.63Å; T281-G284 PolarHBondContact O-N 3.25Å
282N95Very high95.8Very high87 Ų8743.4 Ų43.447%0.46525%0.25SS..Hα-helixtrans-63.7-27.4174.9-68.9-16.5000113Y278 H279 G284Y278-N282 WeakPolarHBondContact CE1-ND2 3.35Å; Y278-N282 VanDerWaalsContact O-CG 3.29Å; Y278-N282 PolarHBondContact O-N 3.13Å; Y278-N282 VanDerWaalsContact O-N 3.08Å; Y278-N282 PolarHBondContact O-ND2 3.44Å; H279-N282 PolarHBondContact O-N 3.03Å; N282-G284 PolarHBondContact O-N 2.67Å
283A95.8Very high95.6Very high30 Ų3049.1 Ų49.125%0.24828%0.277CS..THydrogen-bonded Turntrans-78.4-3.5171.700000114.1H279 L280 T281 W285 H303 Q307H279-A283 PolarHBondContact O-N 3.32Å; L280-A283 CarbonylContact O-C 3.58Å; L280-A283 WeakPolarHBondContact O-CA 3.26Å; L280-A283 WeakPolarHBondContact O-CB 3.49Å; L280-A283 PolarHBondContact O-N 2.71Å; L280-A283 VanDerWaalsContact O-N 3.12Å; T281-A283 PolarHBondContact O-N 2.63Å; A283-W285 VanDerWaalsContact C-N 3.28Å; A283-H303 HydrophobicContact CB-CB 4.19Å; A283-Q307 HydrophobicContact CB-CG 3.73Å
284G96.4Very high95.5Very high72 Ų7249.9 Ų49.974%0.74228%0.281SS*.THydrogen-bonded Turntrans7023.7-171.800000113.6L280 T281 N282L280-G284 PolarHBondContact O-N 2.78Å; T281-G284 PolarHBondContact O-N 3.25Å; N282-G284 PolarHBondContact O-N 2.67Å
285W96.4Very high95.3Very high65 Ų6548.2 Ų48.225%0.24628%0.275CS..PPolyproline II helixtrans-102.3161.1178-165.5-103.6000111.5L280 A283 R299 H303L280-W285 HydrophobicContact CB-CB 4.38Å; L280-W285 HydrophobicContact CD2-CB 4.4Å; L280-W285 HydrophobicContact CD2-CG 4.45Å; L280-W285 WeakPolarHBondContact O-CA 3.29Å; L280-W285 WeakPolarHBondContact O-CB 3.32Å; L280-W285 PolarHBondContact O-N 3.36Å; A283-W285 VanDerWaalsContact C-N 3.28Å; W285-R299 HydrophobicContact CH2-CB 4.37Å; W285-R299 HydrophobicContact CZ2-CB 3.83Å; W285-H303 HydrophobicContact CB-CB 4.43Å; W285-H303 AromaticContact CD2-CD2 3.44Å; W285-H303 VanDerWaalsContact CD2-CD2 3.44Å; W285-H303 AromaticContact CD2-NE2 3.63Å; W285-H303 AromaticContact CE2-CD2 3.9Å; W285-H303 AromaticContact CE3-CD2 3.59Å; W285-H303 AromaticContact CE3-CE1 3.89Å; W285-H303 AromaticContact CE3-NE2 3.21Å; W285-H303 AromaticContact CG-CD2 3.75Å; W285-H303 AromaticContact CZ3-NE2 3.51Å
286H95.8Very high95.2Very high119 Ų11951.2 Ų51.255%0.55129%0.288SS*.PPolyproline II helixtrans-75150.6177.657.3-94.2000111.7
287T96.6Very high95Very high83 Ų8353.6 Ų53.651%0.50930%0.3SS..PPolyproline II helixtrans-71.5152.6177.155.40000112N277N277-T287 HydrophobicContact CB-CG2 3.98Å; N277-T287 VanDerWaalsContact OD1-CA 3.27Å; N277-T287 WeakPolarHBondContact OD1-CA 3.39Å; N277-T287 WeakPolarHBondContact OD1-CB 3.34Å
288I96.3Very high95Very high8 Ų852.2 Ų52.24%0.04129%0.293CS..PPolyproline II helixtrans-103.3159.6170.263.3164.4000110.9L273 V276 N277 L280 F291 D294 I295 A300L273-I288 HydrophobicContact CD1-CD1 3.98Å; L273-I288 HydrophobicContact CD1-CG1 3.77Å; V276-I288 HydrophobicContact CB-CD1 4.45Å; V276-I288 HydrophobicContact CG1-CD1 3.71Å; V276-I288 HydrophobicContact CG1-CG1 4.09Å; N277-I288 PolarHBondContact ND2-O 3.5Å; N277-I288 WeakPolarHBondContact OD1-CG1 2.99Å; N277-I288 PolarHBondContact OD1-N 3.28Å; N277-I288 PolarHBondContact OD1-O 3.05Å; L280-I288 HydrophobicContact CD1-CG1 4.21Å; L280-I288 HydrophobicContact CD1-CG2 3.96Å; I288-F291 HydrophobicContact CD1-CD1 4.05Å; I288-F291 HydrophobicContact CD1-CE1 3.91Å; I288-D294 HydrophobicContact CB-CB 3.73Å; I288-D294 HydrophobicContact CG2-CB 3.73Å; I288-I295 HydrophobicContact CD1-CG2 3.9Å; I288-A300 HydrophobicContact CG2-CB 4.08Å
289S93.7Very high95Very high82 Ų8252.1 Ų52.157%0.57329%0.292SS*.SBendtrans-116.2-12.5180660000113.5D294S289-D294 WeakPolarHBondContact CB-OD2 3.17Å; S289-D294 PolarHBondContact N-OD2 3.25Å; S289-D294 PolarHBondContact OG-OD2 2.88Å
290N91.6Very high95Very high43 Ų4352 Ų5223%0.2329%0.292CS..  trans-159.9156.6-177.264.786.3000111.6S292 Q293 D294N290-S292 PolarHBondContact O-N 2.96Å; N290-S292 WeakPolarHBondContact OD1-CA 3.48Å; N290-S292 PolarHBondContact OD1-N 2.92Å; N290-S292 PolarHBondContact OD1-OG 2.85Å; N290-Q293 PolarHBondContact OD1-N 3.31Å; N290-D294 PolarHBondContact ND2-OD1 3.45Å; N290-D294 PolarHBondContact ND2-OD2 3.29Å
291F91.8Very high95Very high19 Ų1952.2 Ų52.28%0.08329%0.293CS..SBendtrans-89.632.5174.2-57.5-62.4000113L272 L273 V276 I288 N364 L365 V368L272-F291 HydrophobicContact CB-CE2 4.34Å; L272-F291 HydrophobicContact CB-CZ 4.13Å; L273-F291 HydrophobicContact CB-CE2 4.3Å; L273-F291 HydrophobicContact CB-CZ 4.1Å; L273-F291 HydrophobicContact CD1-CE1 4.32Å; L273-F291 HydrophobicContact CD1-CZ 4.11Å; V276-F291 HydrophobicContact CG2-CE1 3.98Å; V276-F291 HydrophobicContact CG2-CZ 4.38Å; I288-F291 HydrophobicContact CD1-CD1 4.05Å; I288-F291 HydrophobicContact CD1-CE1 3.91Å; F291-N364 HydrophobicContact CB-CB 4.15Å; F291-N364 WeakPolarHBondContact O-CB 3.48Å; F291-L365 HydrophobicContact CD2-CB 4.33Å; F291-L365 HydrophobicContact CD2-CD1 3.71Å; F291-L365 HydrophobicContact CE2-CD1 3.68Å; F291-V368 HydrophobicContact CD1-CG2 3.89Å; F291-V368 HydrophobicContact CE1-CB 4.26Å; F291-V368 HydrophobicContact CE1-CG1 3.85Å; F291-V368 HydrophobicContact CE1-CG2 3.83Å; F291-V368 HydrophobicContact CZ-CG1 3.9Å
292S90.9Very high95.1Very high30 Ų3048.3 Ų48.321%0.2127%0.269CS..SBendtrans-123.9-89.8178.765.80000111.4N290 D294 I295 K296 G359N290-S292 PolarHBondContact O-N 2.96Å; N290-S292 WeakPolarHBondContact OD1-CA 3.48Å; N290-S292 PolarHBondContact OD1-N 2.92Å; N290-S292 PolarHBondContact OD1-OG 2.85Å; S292-D294 PolarHBondContact O-N 3.43Å; S292-I295 VanDerWaalsContact O-CD1 3.28Å; S292-I295 WeakPolarHBondContact O-CD1 3.35Å; S292-I295 WeakPolarHBondContact O-CG1 2.91Å; S292-K296 WeakPolarHBondContact O-CG 3.08Å; S292-G359 WeakPolarHBondContact CA-O 3.35Å; S292-G359 VanDerWaalsContact CB-O 3.26Å; S292-G359 WeakPolarHBondContact CB-O 3.48Å
293Q92.8Very high95.2Very high120 Ų12045.6 Ų45.656%0.56125%0.253SS*.G310 helixtrans-64.4-38.4-177.2-62.6-53-44.300113.1N290 I295 K296N290-Q293 PolarHBondContact OD1-N 3.31Å; Q293-I295 PolarHBondContact O-N 3.07Å; Q293-K296 PolarHBondContact O-N 3.27Å
294D93.8Very high95.3Very high53 Ų5344.1 Ų44.128%0.28324%0.241SC..G310 helixtrans-76.4-8.6-169.4-58.18.2000112.8I288 S289 N290 S292I288-D294 HydrophobicContact CB-CB 3.73Å; I288-D294 HydrophobicContact CG2-CB 3.73Å; S289-D294 WeakPolarHBondContact CB-OD2 3.17Å; S289-D294 PolarHBondContact N-OD2 3.25Å; S289-D294 PolarHBondContact OG-OD2 2.88Å; N290-D294 PolarHBondContact ND2-OD1 3.45Å; N290-D294 PolarHBondContact ND2-OD2 3.29Å; S292-D294 PolarHBondContact O-N 3.43Å
295I93.3Very high95.4Very high1 Ų140.7 Ų40.71%0.00521%0.206CC..G310 helixtrans-113.1-5.8-177.859.468.6000114.1I288 S292 Q293 D297 S298 Y301 V356 N364I288-I295 HydrophobicContact CD1-CG2 3.9Å; S292-I295 VanDerWaalsContact O-CD1 3.28Å; S292-I295 WeakPolarHBondContact O-CD1 3.35Å; S292-I295 WeakPolarHBondContact O-CG1 2.91Å; Q293-I295 PolarHBondContact O-N 3.07Å; I295-D297 VanDerWaalsContact C-N 3.26Å; I295-D297 PolarHBondContact O-N 2.68Å; I295-S298 PolarHBondContact O-N 3.39Å; I295-Y301 HydrophobicContact CB-CD2 4.31Å; I295-Y301 HydrophobicContact CB-CE2 3.73Å; I295-Y301 HydrophobicContact CD1-CE2 4.14Å; I295-Y301 HydrophobicContact CG1-CE2 4.12Å; I295-Y301 HydrophobicContact CG2-CE2 4.32Å; I295-V356 HydrophobicContact CD1-CG1 4.46Å; I295-N364 HydrophobicContact CD1-CB 4.21Å; I295-N364 VanDerWaalsContact CD1-CG 3.45Å; I295-N364 WeakPolarHBondContact CD1-OD1 3.4Å; I295-N364 HydrophobicContact CG1-CB 4.46Å
296K94.3Very high95.4Very high64 Ų6439.5 Ų39.528%0.27820%0.204SC..THydrogen-bonded Turntrans-62.6-31.8-167.6-61.6179.565.1-173.20113.9S292 Q293 S298 V356 V357S292-K296 WeakPolarHBondContact O-CG 3.08Å; Q293-K296 PolarHBondContact O-N 3.27Å; K296-S298 PolarHBondContact O-N 3.17Å; K296-V356 WeakPolarHBondContact CA-O 3.15Å; K296-V357 WeakPolarHBondContact CE-O 3.47Å
297D94.9Very high95.4Very high53 Ų5336.2 Ų36.228%0.28319%0.189SC..THydrogen-bonded Turntrans-83.30.9-179.475.2-3.6000113.1I295 R299 R334I295-D297 VanDerWaalsContact C-N 3.26Å; I295-D297 PolarHBondContact O-N 2.68Å; D297-R299 HydrophobicContact CB-CG 4.43Å; D297-R299 PolarHBondContact O-N 3.25Å; D297-R299 WeakPolarHBondContact OD1-CB 3.43Å; D297-R299 PolarHBondContact OD1-N 3.19Å; D297-R299 WeakPolarHBondContact OD2-CD 3.22Å; D297-R299 WeakPolarHBondContact OD2-CG 3.41Å; D297-R299 IonicContact OD2-NE 2.67Å; D297-R334 WeakPolarHBondContact O-CD 3.2Å; D297-R334 PolarHBondContact O-NE 2.83Å
298S97.6Very high95.3Very high0 Ų032.4 Ų32.40%017%0.166CC..SBendtrans59.74-178.2-52.40000115.8I295 K296 Y301 F302 A335 V356I295-S298 PolarHBondContact O-N 3.39Å; K296-S298 PolarHBondContact O-N 3.17Å; S298-Y301 PolarHBondContact O-N 3.09Å; S298-F302 VanDerWaalsContact O-CD2 3.3Å; S298-F302 WeakPolarHBondContact O-CD2 3.41Å; S298-F302 PolarHBondContact O-N 2.71Å; S298-F302 VanDerWaalsContact O-N 3.08Å; S298-A335 VanDerWaalsContact OG-CA 3.27Å; S298-A335 WeakPolarHBondContact OG-CA 3.23Å; S298-A335 WeakPolarHBondContact OG-CB 3.41Å; S298-V356 WeakPolarHBondContact OG-CG1 3.29Å
299R97.1Very high95.2Very high80 Ų8032.1 Ų32.130%0.30217%0.165SC..Hα-helixtrans-68.1-46.4-176.5-66.4-176.6-176.9-104.5-1.8111.4W285 D297 Y301 F302 H303 I326W285-R299 HydrophobicContact CH2-CB 4.37Å; W285-R299 HydrophobicContact CZ2-CB 3.83Å; D297-R299 HydrophobicContact CB-CG 4.43Å; D297-R299 PolarHBondContact O-N 3.25Å; D297-R299 WeakPolarHBondContact OD1-CB 3.43Å; D297-R299 PolarHBondContact OD1-N 3.19Å; D297-R299 WeakPolarHBondContact OD2-CD 3.22Å; D297-R299 WeakPolarHBondContact OD2-CG 3.41Å; D297-R299 IonicContact OD2-NE 2.67Å; R299-Y301 PolarHBondContact O-N 3.15Å; R299-F302 PolarHBondContact O-N 3.02Å; R299-H303 PolarHBondContact O-CD2 2.75Å; R299-H303 PolarHBondContact O-N 2.94Å; R299-I326 HydrophobicContact CG-CG2 4.48Å
300A97.4Very high95.1Very high2 Ų228.7 Ų28.72%0.01714%0.14CC..Hα-helixtrans-55.6-41.217400000111L280 I288 H303 L304L280-A300 HydrophobicContact CD1-CB 4.23Å; L280-A300 HydrophobicContact CD2-CB 4.31Å; L280-A300 WeakPolarHBondContact CD2-O 3.04Å; I288-A300 HydrophobicContact CG2-CB 4.08Å; A300-H303 PolarHBondContact O-N 2.59Å; A300-L304 WeakPolarHBondContact O-CB 3.3Å; A300-L304 PolarHBondContact O-N 2.68Å
301Y97.9Very high94.8Very high3 Ų332.3 Ų32.31%0.01215%0.154CC..Hα-helixtrans-64.8-40.5177.5-75.8-45.7000113.9I295 S298 R299 H303 L304 L305 M338 V356 N364 F367 V368I295-Y301 HydrophobicContact CB-CD2 4.31Å; I295-Y301 HydrophobicContact CB-CE2 3.73Å; I295-Y301 HydrophobicContact CD1-CE2 4.14Å; I295-Y301 HydrophobicContact CG1-CE2 4.12Å; I295-Y301 HydrophobicContact CG2-CE2 4.32Å; S298-Y301 PolarHBondContact O-N 3.09Å; R299-Y301 PolarHBondContact O-N 3.15Å; Y301-H303 VanDerWaalsContact C-N 3.33Å; Y301-H303 PolarHBondContact O-N 3.27Å; Y301-L304 HydrophobicContact CD1-CD2 4.29Å; Y301-L304 PolarHBondContact O-N 3.37Å; Y301-L305 WeakPolarHBondContact O-CB 3.42Å; Y301-L305 WeakPolarHBondContact O-CG 3.41Å; Y301-L305 PolarHBondContact O-N 3.28Å; Y301-M338 HydrophobicContact CD2-CE 3.69Å; Y301-M338 HydrophobicContact CD2-SD 4.32Å; Y301-M338 HydrophobicContact CE2-CE 4.42Å; Y301-M338 HydrophobicContact CG-CE 4.16Å; Y301-M338 HydrophobicContact CG-SD 4.17Å; Y301-V356 HydrophobicContact CD2-CG1 4.18Å; Y301-V356 HydrophobicContact CE2-CG1 4.12Å; Y301-N364 WeakPolarHBondContact CE2-OD1 3.22Å; Y301-N364 WeakPolarHBondContact OH-CB 3.43Å; Y301-N364 PolarHBondContact OH-OD1 3.18Å; Y301-N364 VanDerWaalsContact OH-OD1 3.11Å; Y301-F367 HydrophobicContact CD1-CD1 4.39Å; Y301-F367 AromaticContact CD1-CE1 3.91Å; Y301-F367 HydrophobicContact CD1-CE1 3.91Å; Y301-F367 HydrophobicContact CD2-CE1 4.46Å; Y301-F367 AromaticContact CE1-CD1 3.87Å; Y301-F367 HydrophobicContact CE1-CD1 3.87Å; Y301-F367 AromaticContact CE1-CE1 3.87Å; Y301-F367 HydrophobicContact CE1-CE1 3.87Å; Y301-F367 HydrophobicContact CE2-CD1 4.36Å; Y301-F367 HydrophobicContact CE2-CE1 4.38Å; Y301-F367 HydrophobicContact CG-CE1 4.24Å; Y301-F367 AromaticContact CZ-CD1 3.86Å; Y301-V368 HydrophobicContact CE1-CG2 3.63Å
302F98Very high94.2Very high0 Ų032.9 Ų32.90%017%0.165CC..Hα-helixtrans-60.1-43.8174.4-85.8-75.5000112.4S298 R299 N306 D322 L323 I326 R334 L337 M338 E341S298-F302 VanDerWaalsContact O-CD2 3.3Å; S298-F302 WeakPolarHBondContact O-CD2 3.41Å; S298-F302 PolarHBondContact O-N 2.71Å; S298-F302 VanDerWaalsContact O-N 3.08Å; R299-F302 PolarHBondContact O-N 3.02Å; F302-N306 WeakPolarHBondContact O-CB 3.47Å; F302-N306 PolarHBondContact O-N 3.46Å; F302-D322 WeakPolarHBondContact CE1-O 3.42Å; F302-L323 HydrophobicContact CB-CD2 4.14Å; F302-L323 HydrophobicContact CD1-CD2 4.35Å; F302-I326 HydrophobicContact CB-CD1 3.7Å; F302-I326 HydrophobicContact CB-CG1 3.53Å; F302-I326 HydrophobicContact CD1-CG1 4.2Å; F302-I326 HydrophobicContact CD2-CG1 3.71Å; F302-I326 HydrophobicContact CE2-CG1 4.45Å; F302-I326 HydrophobicContact CG-CD1 4.26Å; F302-I326 HydrophobicContact CG-CG1 3.56Å; F302-R334 HydrophobicContact CE2-CG 3.76Å; F302-L337 HydrophobicContact CZ-CB 4Å; F302-M338 HydrophobicContact CD2-CB 4.12Å; F302-M338 HydrophobicContact CD2-CG 4.34Å; F302-M338 HydrophobicContact CE1-CB 4.34Å; F302-M338 HydrophobicContact CE2-CB 3.62Å; F302-M338 HydrophobicContact CE2-CG 4.33Å; F302-M338 HydrophobicContact CZ-CB 3.76Å; F302-E341 HydrophobicContact CE1-CG 3.96Å
303H97.8Very high93.7Very high30 Ų3034.8 Ų34.814%0.13919%0.19CC..Hα-helixtrans-64.1-44.4177.1-74-69.5000111.6L280 A283 W285 R299 A300 Y301 N306 Q307L280-H303 HydrophobicContact CD2-CB 3.8Å; A283-H303 HydrophobicContact CB-CB 4.19Å; W285-H303 HydrophobicContact CB-CB 4.43Å; W285-H303 AromaticContact CD2-CD2 3.44Å; W285-H303 VanDerWaalsContact CD2-CD2 3.44Å; W285-H303 AromaticContact CD2-NE2 3.63Å; W285-H303 AromaticContact CE2-CD2 3.9Å; W285-H303 AromaticContact CE3-CD2 3.59Å; W285-H303 AromaticContact CE3-CE1 3.89Å; W285-H303 AromaticContact CE3-NE2 3.21Å; W285-H303 AromaticContact CG-CD2 3.75Å; W285-H303 AromaticContact CZ3-NE2 3.51Å; R299-H303 PolarHBondContact O-CD2 2.75Å; R299-H303 PolarHBondContact O-N 2.94Å; A300-H303 PolarHBondContact O-N 2.59Å; Y301-H303 VanDerWaalsContact C-N 3.33Å; Y301-H303 PolarHBondContact O-N 3.27Å; H303-N306 PolarHBondContact O-N 3.18Å; H303-Q307 WeakPolarHBondContact O-CG 3.39Å; H303-Q307 PolarHBondContact O-N 3.45Å
304L97.9Very high92.5Very high0 Ų038.8 Ų38.80%021%0.208CC..Hα-helixtrans-60.2-53176.3179.563.8000111.6W275 V276 H279 L280 A300 Y301 N306 Q307 I308 L371W275-L304 HydrophobicContact CH2-CD1 4.01Å; W275-L304 HydrophobicContact CH2-CD2 4.28Å; W275-L304 HydrophobicContact CH2-CG 4.45Å; W275-L304 HydrophobicContact CZ2-CD1 4.44Å; W275-L304 HydrophobicContact CZ3-CD1 4.15Å; W275-L304 HydrophobicContact CZ3-CD2 4.04Å; V276-L304 HydrophobicContact CG1-CD2 4.24Å; V276-L304 HydrophobicContact CG2-CD1 4.47Å; V276-L304 HydrophobicContact CG2-CD2 3.86Å; H279-L304 HydrophobicContact CB-CD1 3.74Å; L280-L304 HydrophobicContact CD2-CB 4.48Å; A300-L304 WeakPolarHBondContact O-CB 3.3Å; A300-L304 PolarHBondContact O-N 2.68Å; Y301-L304 HydrophobicContact CD1-CD2 4.29Å; Y301-L304 PolarHBondContact O-N 3.37Å; L304-N306 VanDerWaalsContact C-N 3.26Å; L304-N306 PolarHBondContact O-N 2.97Å; L304-Q307 PolarHBondContact O-N 2.89Å; L304-I308 HydrophobicContact CD1-CG2 3.93Å; L304-I308 HydrophobicContact CG-CD1 4.48Å; L304-I308 WeakPolarHBondContact O-CG1 3.34Å; L304-I308 PolarHBondContact O-N 3.28Å; L304-L371 HydrophobicContact CD2-CD1 4.11Å
305L97.6Very high91.2Very high0 Ų040.9 Ų40.90%022%0.219CC..Hα-helixtrans-55.2-43.6179.3-72.7171.4000111.3Y301 Q307 I308 A309 I321 M338 E341 A342 L345 L371Y301-L305 WeakPolarHBondContact O-CB 3.42Å; Y301-L305 WeakPolarHBondContact O-CG 3.41Å; Y301-L305 PolarHBondContact O-N 3.28Å; L305-Q307 VanDerWaalsContact C-N 3.33Å; L305-Q307 PolarHBondContact O-N 2.93Å; L305-I308 HydrophobicContact CD2-CD1 4.5Å; L305-A309 WeakPolarHBondContact O-CB 3.13Å; L305-A309 PolarHBondContact O-N 2.94Å; L305-I321 HydrophobicContact CB-CG2 4.36Å; L305-M338 HydrophobicContact CD1-CG 3.83Å; L305-M338 WeakPolarHBondContact CD1-O 3.46Å; L305-M338 HydrophobicContact CD1-SD 3.89Å; L305-E341 HydrophobicContact CD1-CB 4.09Å; L305-A342 HydrophobicContact CD1-CB 4.21Å; L305-A342 HydrophobicContact CD2-CB 3.98Å; L305-L345 HydrophobicContact CD2-CD1 3.82Å; L305-L371 HydrophobicContact CD2-CD1 4.28Å; L305-L371 HydrophobicContact CD2-CD2 3.75Å
306N96.3Very high90.3Very high39 Ų3942.2 Ų42.221%0.20923%0.234CC..Hα-helixtrans-67.1-32177.4179.456000113F302 H303 L304 K311 I321 L323F302-N306 WeakPolarHBondContact O-CB 3.47Å; F302-N306 PolarHBondContact O-N 3.46Å; H303-N306 PolarHBondContact O-N 3.18Å; L304-N306 VanDerWaalsContact C-N 3.26Å; L304-N306 PolarHBondContact O-N 2.97Å; N306-K311 VanDerWaalsContact O-CE 3.27Å; N306-K311 WeakPolarHBondContact O-CE 3.48Å; N306-K311 PolarHBondContact O-NZ 2.87Å; N306-K311 PolarHBondContact OD1-NZ 3.15Å; N306-I321 HydrophobicContact CB-CB 4.16Å; N306-I321 HydrophobicContact CB-CG2 4.24Å; N306-L323 HydrophobicContact CB-CD2 3.9Å
307Q95.4Very high89.7Confident51 Ų5144.4 Ų44.424%0.23825%0.254CS..Hα-helixtrans-72.2-42.3176.5-74.3-66.2-35.700112.5H279 A283 H303 L304 L305H279-Q307 HydrophobicContact CB-CB 4.05Å; H279-Q307 HydrophobicContact CB-CG 4.45Å; H279-Q307 WeakPolarHBondContact O-CG 3.46Å; A283-Q307 HydrophobicContact CB-CG 3.73Å; H303-Q307 WeakPolarHBondContact O-CG 3.39Å; H303-Q307 PolarHBondContact O-N 3.45Å; L304-Q307 PolarHBondContact O-N 2.89Å; L305-Q307 VanDerWaalsContact C-N 3.33Å; L305-Q307 PolarHBondContact O-N 2.93Å
308I95.3Very high89.5Confident3 Ų345.2 Ų45.22%0.01527%0.269CS..Hα-helixtrans-84.2-16.9-174.470.9-179.7000113.1W275 L304 L305 L345 L371 C377W275-I308 HydrophobicContact CH2-CD1 4.21Å; W275-I308 HydrophobicContact CH2-CG2 4.15Å; W275-I308 HydrophobicContact CZ2-CG2 3.68Å; L304-I308 HydrophobicContact CD1-CG2 3.93Å; L304-I308 HydrophobicContact CG-CD1 4.48Å; L304-I308 WeakPolarHBondContact O-CG1 3.34Å; L304-I308 PolarHBondContact O-N 3.28Å; L305-I308 HydrophobicContact CD2-CD1 4.5Å; I308-L345 HydrophobicContact CG1-CD1 4.34Å; I308-L371 HydrophobicContact CD1-CB 4.01Å; I308-L371 HydrophobicContact CD1-CD1 4.43Å; I308-L371 HydrophobicContact CD1-CD2 4.05Å; I308-L371 HydrophobicContact CD1-CG 4.4Å; I308-C377 HydrophobicContact CB-CB 4.37Å; I308-C377 HydrophobicContact CG2-CB 4.42Å
309A94.2Very high89.3Confident2 Ų247.1 Ų47.12%0.01728%0.278CS..SBendtrans-64.4131.1179.400000111.4L305 K311 I321 L345L305-A309 WeakPolarHBondContact O-CB 3.13Å; L305-A309 PolarHBondContact O-N 2.94Å; A309-K311 WeakPolarHBondContact O-CD 3.37Å; A309-K311 WeakPolarHBondContact O-CE 3.27Å; A309-K311 PolarHBondContact O-N 3.46Å; A309-I321 HydrophobicContact CB-CD1 4.01Å; A309-I321 HydrophobicContact CB-CG1 3.55Å; A309-L345 HydrophobicContact CB-CD1 4.48Å; A309-L345 HydrophobicContact CB-CD2 3.96Å
310P90.4Very high89.1Confident9 Ų947.3 Ų47.36%0.05830%0.297CS..  trans-52128.6179.1-28.734.4000112.7D315 A318 I319 Y375P310-D315 HydrophobicContact CB-CB 4.3Å; P310-A318 WeakPolarHBondContact O-CA 3.29Å; P310-I319 HydrophobicContact CG-CD1 4.35Å; P310-I319 PolarHBondContact O-N 2.87Å; P310-Y375 HydrophobicContact CG-CD1 3.85Å; P310-Y375 HydrophobicContact CG-CE1 3.45Å; P310-Y375 VanDerWaalsContact CG-CE1 3.45Å
311K86.8Confident89Confident120 Ų12048 Ų4852%0.52230%0.3SS..  trans-90.51.1-178.9-58-56179.1-169.90114N306 A309N306-K311 VanDerWaalsContact O-CE 3.27Å; N306-K311 WeakPolarHBondContact O-CE 3.48Å; N306-K311 PolarHBondContact O-NZ 2.87Å; N306-K311 PolarHBondContact OD1-NZ 3.15Å; A309-K311 WeakPolarHBondContact O-CD 3.37Å; A309-K311 WeakPolarHBondContact O-CE 3.27Å; A309-K311 PolarHBondContact O-N 3.46Å
312G79.7Confident88.8Confident31 Ų3151.6 Ų51.632%0.3232%0.319SS..SBendtrans93.8154.8-172.700000111.9G316G312-G316 VanDerWaalsContact CA-O 3.28Å; G312-G316 WeakPolarHBondContact CA-O 3.46Å
313G79.2Confident88.7Confident70 Ų7054.4 Ų54.472%0.72233%0.334SS*.BIsolated β-bridgetrans105.4-127.5179.600000111.9D315 G316G313-D315 VanDerWaalsContact C-N 3.28Å; G313-D315 PolarHBondContact O-N 3.05Å; G313-G316 PolarHBondContact N-O 2.73Å; G313-G316 PolarHBondContact O-N 3.46Å
314E68.8Low88.5Confident203 Ų20356.4 Ų56.495%0.94935%0.352SS*.THydrogen-bonded Turntrans-67.4-28.1-179.7-65.7-171.3168.600112.6G316E314-G316 PolarHBondContact O-N 3.41Å
315D66.2Low88.2Confident97 Ų9756.6 Ų56.652%0.51935%0.354SS..THydrogen-bonded Turntrans-81.99.9-179.7-54.7-48.7000114.1P310 G313P310-D315 HydrophobicContact CB-CB 4.3Å; G313-D315 VanDerWaalsContact C-N 3.28Å; G313-D315 PolarHBondContact O-N 3.05Å
316G73.7Confident88.1Confident30 Ų3057.5 Ų57.531%0.30936%0.358SS..BIsolated β-bridgetrans92.7-163.1179.800000114.2G312 G313 E314G312-G316 VanDerWaalsContact CA-O 3.28Å; G312-G316 WeakPolarHBondContact CA-O 3.46Å; G313-G316 PolarHBondContact N-O 2.73Å; G313-G316 PolarHBondContact O-N 3.46Å; E314-G316 PolarHBondContact O-N 3.41Å
317P82.4Confident88Confident110 Ų11061.9 Ų61.971%0.71438%0.381SS*.SBendtrans-66138.4-178.427.8-33000110.7I319P317-I319 PolarHBondContact O-N 3.31Å
318A89.8Confident88.1Confident70 Ų7062 Ų6258%0.57938%0.382SS*.  trans-62.8128.4179.100000111P310P310-A318 WeakPolarHBondContact O-CA 3.29Å
319I92.9Very high88.1Confident39 Ų3968 Ų6820%0.242%0.419CS..  trans-113.3112174.3-56.6175.2000107.9P310 P317 K344 L345P310-I319 HydrophobicContact CG-CD1 4.35Å; P310-I319 PolarHBondContact O-N 2.87Å; P317-I319 PolarHBondContact O-N 3.31Å; I319-K344 HydrophobicContact CG2-CB 3.96Å; I319-L345 HydrophobicContact CB-CD2 4.12Å; I319-L345 HydrophobicContact CD1-CD2 3.87Å; I319-L345 HydrophobicContact CG2-CD2 3.85Å
320A93.2Very high88.2Confident84 Ų8471.3 Ų71.369%0.69444%0.437SS*.  trans-85.4128.1179.300000111.1
321I95.3Very high88.5Confident16 Ų1674 Ų748%0.08245%0.45CS..  trans-93.8127.6173.7-58.3-57000109.2L305 N306 A309 L323 E341 L345L305-I321 HydrophobicContact CB-CG2 4.36Å; N306-I321 HydrophobicContact CB-CB 4.16Å; N306-I321 HydrophobicContact CB-CG2 4.24Å; A309-I321 HydrophobicContact CB-CD1 4.01Å; A309-I321 HydrophobicContact CB-CG1 3.55Å; I321-L323 HydrophobicContact CG2-CD2 4.25Å; I321-L323 PolarHBondContact O-N 3.12Å; I321-E341 WeakPolarHBondContact CA-OE2 3.21Å; I321-E341 HydrophobicContact CD1-CB 4.26Å; I321-E341 HydrophobicContact CG2-CB 4.05Å; I321-E341 HydrophobicContact CG2-CG 4.07Å; I321-L345 HydrophobicContact CD1-CD1 4.43Å; I321-L345 HydrophobicContact CD1-CG 4.36Å
322D94.3Very high88.9Confident79 Ų7972.4 Ų72.442%0.42245%0.447SS..  trans-82.9111.1174.5-176.812.4000110.7F302 S324 E341F302-D322 WeakPolarHBondContact CE1-O 3.42Å; D322-S324 VanDerWaalsContact C-N 3.32Å; D322-S324 WeakPolarHBondContact OD1-CB 3.38Å; D322-S324 PolarHBondContact OD1-N 2.88Å; D322-S324 PolarHBondContact OD1-OG 3.39Å; D322-S324 PolarHBondContact OD2-OG 3.45Å; D322-E341 PolarHBondContact N-OE2 3.06Å
323L95.1Very high89.8Confident60 Ų6077 Ų7731%0.31446%0.459SS..G310 helixtrans-84-4.5178.1-63-179.6000113.3F302 N306 I321 G325 I326F302-L323 HydrophobicContact CB-CD2 4.14Å; F302-L323 HydrophobicContact CD1-CD2 4.35Å; N306-L323 HydrophobicContact CB-CD2 3.9Å; I321-L323 HydrophobicContact CG2-CD2 4.25Å; I321-L323 PolarHBondContact O-N 3.12Å; L323-G325 PolarHBondContact O-N 3.46Å; L323-G325 VanDerWaalsContact O-N 3.16Å; L323-I326 HydrophobicContact CB-CD1 4.2Å; L323-I326 HydrophobicContact CD2-CD1 4.01Å; L323-I326 WeakPolarHBondContact O-CB 3.36Å; L323-I326 WeakPolarHBondContact O-CG1 3.4Å; L323-I326 PolarHBondContact O-N 3.08Å
324S93.8Very high90.7Very high72 Ų7274.2 Ų74.250%0.50343%0.426SS..G310 helixtrans-57.4-31.7-179.876.20000112.2D322 I326 N327D322-S324 VanDerWaalsContact C-N 3.32Å; D322-S324 WeakPolarHBondContact OD1-CB 3.38Å; D322-S324 PolarHBondContact OD1-N 2.88Å; D322-S324 PolarHBondContact OD1-OG 3.39Å; D322-S324 PolarHBondContact OD2-OG 3.45Å; S324-I326 PolarHBondContact O-N 3.14Å; S324-N327 PolarHBondContact O-N 3.16Å
325G92.5Very high92Very high4 Ų464.5 Ų64.54%0.04138%0.381CS..G310 helixtrans-61.3-20.4176.900000115L323 N327 E328 R334L323-G325 PolarHBondContact O-N 3.46Å; L323-G325 VanDerWaalsContact O-N 3.16Å; G325-N327 PolarHBondContact O-N 3.23Å; G325-E328 VanDerWaalsContact O-CB 3.31Å; G325-E328 WeakPolarHBondContact O-CB 3.48Å; G325-E328 PolarHBondContact O-N 3.04Å; G325-E328 VanDerWaalsContact O-N 3.14Å; G325-R334 WeakPolarHBondContact O-CD 3.48Å; G325-R334 WeakPolarHBondContact O-CG 3.44Å
326I94.9Very high93.5Very high19 Ų1960.8 Ų60.810%0.09737%0.365CS..G310 helixtrans-58.4-34.7175.1-68.6178.4000111.5R299 F302 L323 S324 E328 R334R299-I326 HydrophobicContact CG-CG2 4.48Å; F302-I326 HydrophobicContact CB-CD1 3.7Å; F302-I326 HydrophobicContact CB-CG1 3.53Å; F302-I326 HydrophobicContact CD1-CG1 4.2Å; F302-I326 HydrophobicContact CD2-CG1 3.71Å; F302-I326 HydrophobicContact CE2-CG1 4.45Å; F302-I326 HydrophobicContact CG-CD1 4.26Å; F302-I326 HydrophobicContact CG-CG1 3.56Å; L323-I326 HydrophobicContact CB-CD1 4.2Å; L323-I326 HydrophobicContact CD2-CD1 4.01Å; L323-I326 WeakPolarHBondContact O-CB 3.36Å; L323-I326 WeakPolarHBondContact O-CG1 3.4Å; L323-I326 PolarHBondContact O-N 3.08Å; S324-I326 PolarHBondContact O-N 3.14Å; I326-E328 VanDerWaalsContact C-N 3.27Å; I326-E328 PolarHBondContact O-N 3.45Å; I326-R334 WeakPolarHBondContact O-CD 3.37Å; I326-R334 PolarHBondContact O-NH1 3.03Å; I326-R334 VanDerWaalsContact O-NH1 3.08Å
327N94.3Very high94.7Very high130 Ų13062 Ų6270%0.69536%0.364SS*.G310 helixtrans-80.2-5.8-176.2-63.1-45.4000113.4S324 G325 T329S324-N327 PolarHBondContact O-N 3.16Å; G325-N327 PolarHBondContact O-N 3.23Å; N327-T329 PolarHBondContact O-N 2.87Å
328E97.2Very high95.4Very high54 Ų5456.8 Ų56.825%0.25233%0.33SS..  trans-62131.2172.5176.455.7-113.800109.9G325 I326 N330 K333 R334 L337G325-E328 VanDerWaalsContact O-CB 3.31Å; G325-E328 WeakPolarHBondContact O-CB 3.48Å; G325-E328 PolarHBondContact O-N 3.04Å; G325-E328 VanDerWaalsContact O-N 3.14Å; I326-E328 VanDerWaalsContact C-N 3.27Å; I326-E328 PolarHBondContact O-N 3.45Å; E328-N330 PolarHBondContact OE1-N 3.45Å; E328-K333 HydrophobicContact CG-CB 3.72Å; E328-R334 HydrophobicContact CB-CB 3.98Å; E328-R334 HydrophobicContact CB-CG 4.44Å; E328-R334 HydrophobicContact CG-CB 3.98Å; E328-R334 VanDerWaalsContact O-CZ 3.26Å; E328-R334 PolarHBondContact O-NE 2.95Å; E328-R334 PolarHBondContact O-NH1 3.38Å; E328-L337 HydrophobicContact CB-CD1 4.25Å
329T94.9Very high95.8Very high129 Ų12953.6 Ų53.679%0.79130%0.303SS*.SBendtrans-86.2-24.8-173.555.80000112.2N327N327-T329 PolarHBondContact O-N 2.87Å
330N97.1Very high96Very high72 Ų7256.9 Ų56.939%0.38532%0.318SS..SBendtrans-89115.4176-176.5-73.4000110.9E328 L332 K333 R334E328-N330 PolarHBondContact OE1-N 3.45Å; N330-L332 VanDerWaalsContact C-N 3.27Å; N330-L332 PolarHBondContact O-N 3.41Å; N330-L332 WeakPolarHBondContact OD1-CB 3.49Å; N330-L332 PolarHBondContact OD1-N 2.85Å; N330-K333 HydrophobicContact CB-CB 4.14Å; N330-K333 HydrophobicContact CB-CD 4.09Å; N330-K333 HydrophobicContact CB-CG 4.11Å; N330-K333 PolarHBondContact O-N 3.46Å; N330-K333 VanDerWaalsContact O-N 3.15Å; N330-K333 PolarHBondContact OD1-N 3.23Å; N330-R334 WeakPolarHBondContact O-CB 3.4Å; N330-R334 PolarHBondContact O-N 2.91Å
331D96.3Very high96.1Very high64 Ų6453.5 Ų53.534%0.34229%0.288SS..Hα-helixtrans-54.4-40.1-178.1-66-17000113.4R334 A335 V357D331-R334 PolarHBondContact O-N 2.92Å; D331-R334 IonicContact OD1-CZ 3.95Å; D331-R334 IonicContact OD1-NE 2.87Å; D331-R334 IonicContact OD1-NH2 3.86Å; D331-R334 PolarHBondContact OD1-NH2 3.34Å; D331-A335 WeakPolarHBondContact O-CB 3.43Å; D331-A335 PolarHBondContact O-N 2.88Å; D331-V357 HydrophobicContact CB-CG1 4.07Å; D331-V357 HydrophobicContact CB-CG2 3.86Å; D331-V357 WeakPolarHBondContact O-CG2 3.38Å
332L96.7Very high96.2Very high88 Ų8852.7 Ų52.746%0.46128%0.284SS..Hα-helixtrans-68.1-43-179.1-169.971.9000111.8N330 R334 G336 P353 A354 V357N330-L332 VanDerWaalsContact C-N 3.27Å; N330-L332 PolarHBondContact O-N 3.41Å; N330-L332 WeakPolarHBondContact OD1-CB 3.49Å; N330-L332 PolarHBondContact OD1-N 2.85Å; L332-R334 VanDerWaalsContact C-N 3.34Å; L332-G336 PolarHBondContact O-N 3.38Å; L332-P353 HydrophobicContact CD1-CB 3.78Å; L332-P353 HydrophobicContact CG-CB 4.35Å; L332-A354 HydrophobicContact CD1-CB 4.28Å; L332-V357 HydrophobicContact CD1-CG2 4.41Å
333K97.3Very high96.3Very high128 Ų12853.1 Ų53.156%0.55729%0.286SS*.Hα-helixtrans-64.7-42.3174.2-68.7-175.8-177.4177.60111E328 N330 G336 L337E328-K333 HydrophobicContact CG-CB 3.72Å; N330-K333 HydrophobicContact CB-CB 4.14Å; N330-K333 HydrophobicContact CB-CD 4.09Å; N330-K333 HydrophobicContact CB-CG 4.11Å; N330-K333 PolarHBondContact O-N 3.46Å; N330-K333 VanDerWaalsContact O-N 3.15Å; N330-K333 PolarHBondContact OD1-N 3.23Å; K333-G336 CarbonylContact O-C 3.59Å; K333-G336 WeakPolarHBondContact O-CA 3.4Å; K333-G336 PolarHBondContact O-N 2.91Å; K333-G336 VanDerWaalsContact O-N 3.11Å; K333-L337 WeakPolarHBondContact O-CG 3.34Å; K333-L337 PolarHBondContact O-N 3.02Å
334R98Very high96.3Very high10 Ų1055 Ų554%0.03829%0.291CS..Hα-helixtrans-62.6-43.6178.3-177.4160.743.2178.7-2.6112.4D297 F302 G325 I326 E328 N330 D331 L332 G336 L337 M338D297-R334 WeakPolarHBondContact O-CD 3.2Å; D297-R334 PolarHBondContact O-NE 2.83Å; F302-R334 HydrophobicContact CE2-CG 3.76Å; G325-R334 WeakPolarHBondContact O-CD 3.48Å; G325-R334 WeakPolarHBondContact O-CG 3.44Å; I326-R334 WeakPolarHBondContact O-CD 3.37Å; I326-R334 PolarHBondContact O-NH1 3.03Å; I326-R334 VanDerWaalsContact O-NH1 3.08Å; E328-R334 HydrophobicContact CB-CB 3.98Å; E328-R334 HydrophobicContact CB-CG 4.44Å; E328-R334 HydrophobicContact CG-CB 3.98Å; E328-R334 VanDerWaalsContact O-CZ 3.26Å; E328-R334 PolarHBondContact O-NE 2.95Å; E328-R334 PolarHBondContact O-NH1 3.38Å; N330-R334 WeakPolarHBondContact O-CB 3.4Å; N330-R334 PolarHBondContact O-N 2.91Å; D331-R334 PolarHBondContact O-N 2.92Å; D331-R334 IonicContact OD1-CZ 3.95Å; D331-R334 IonicContact OD1-NE 2.87Å; D331-R334 IonicContact OD1-NH2 3.86Å; D331-R334 PolarHBondContact OD1-NH2 3.34Å; L332-R334 VanDerWaalsContact C-N 3.34Å; R334-G336 VanDerWaalsContact C-N 3.29Å; R334-G336 PolarHBondContact O-N 3.22Å; R334-L337 PolarHBondContact O-N 3.37Å; R334-M338 WeakPolarHBondContact O-CB 3.49Å; R334-M338 PolarHBondContact O-N 2.97Å
335A97.4Very high96.2Very high0 Ų051.9 Ų51.90%027%0.269CS..Hα-helixtrans-61.2-39.2171.600000111.4S298 D331 M338 L339 P353 V356 V357S298-A335 VanDerWaalsContact OG-CA 3.27Å; S298-A335 WeakPolarHBondContact OG-CA 3.23Å; S298-A335 WeakPolarHBondContact OG-CB 3.41Å; D331-A335 WeakPolarHBondContact O-CB 3.43Å; D331-A335 PolarHBondContact O-N 2.88Å; A335-M338 PolarHBondContact O-N 2.89Å; A335-L339 WeakPolarHBondContact O-CG 3.06Å; A335-L339 PolarHBondContact O-N 3.04Å; A335-P353 HydrophobicContact CB-CB 3.96Å; A335-V356 HydrophobicContact CB-CB 4.11Å; A335-V356 HydrophobicContact CB-CG1 4.21Å; A335-V357 HydrophobicContact CB-CG2 3.96Å
336G97.3Very high96.2Very high18 Ų1853.3 Ų53.319%0.18628%0.284CS..Hα-helixtrans-57.8-46.6172.100000113.5L332 K333 R334 L339 Q340L332-G336 PolarHBondContact O-N 3.38Å; K333-G336 CarbonylContact O-C 3.59Å; K333-G336 WeakPolarHBondContact O-CA 3.4Å; K333-G336 PolarHBondContact O-N 2.91Å; K333-G336 VanDerWaalsContact O-N 3.11Å; R334-G336 VanDerWaalsContact C-N 3.29Å; R334-G336 PolarHBondContact O-N 3.22Å; G336-L339 PolarHBondContact O-N 2.98Å; G336-Q340 WeakPolarHBondContact O-CG 3.22Å; G336-Q340 PolarHBondContact O-N 3.25Å; G336-Q340 VanDerWaalsContact O-N 3.14Å
337L97.9Very high96.1Very high56 Ų5652.4 Ų52.429%0.29328%0.279SS..Hα-helixtrans-64.9-44.3175.6-65.6172.7000111.3F302 E328 K333 R334 L339 Q340 E341F302-L337 HydrophobicContact CZ-CB 4Å; E328-L337 HydrophobicContact CB-CD1 4.25Å; K333-L337 WeakPolarHBondContact O-CG 3.34Å; K333-L337 PolarHBondContact O-N 3.02Å; R334-L337 PolarHBondContact O-N 3.37Å; L337-L339 VanDerWaalsContact C-N 3.29Å; L337-L339 PolarHBondContact O-N 3.02Å; L337-Q340 WeakPolarHBondContact O-CB 3.45Å; L337-Q340 PolarHBondContact O-N 3.09Å; L337-E341 PolarHBondContact O-N 3.31Å; L337-E341 VanDerWaalsContact O-N 3.08Å
338M97.8Very high95.9Very high0 Ų050.9 Ų50.90%027%0.267CS..Hα-helixtrans-56.3-43.4176.1-179.2-81.6-67.100111.7Y301 F302 L305 R334 A335 Q340 E341 A342 V356 F367Y301-M338 HydrophobicContact CD2-CE 3.69Å; Y301-M338 HydrophobicContact CD2-SD 4.32Å; Y301-M338 HydrophobicContact CE2-CE 4.42Å; Y301-M338 HydrophobicContact CG-CE 4.16Å; Y301-M338 HydrophobicContact CG-SD 4.17Å; F302-M338 HydrophobicContact CD2-CB 4.12Å; F302-M338 HydrophobicContact CD2-CG 4.34Å; F302-M338 HydrophobicContact CE1-CB 4.34Å; F302-M338 HydrophobicContact CE2-CB 3.62Å; F302-M338 HydrophobicContact CE2-CG 4.33Å; F302-M338 HydrophobicContact CZ-CB 3.76Å; L305-M338 HydrophobicContact CD1-CG 3.83Å; L305-M338 WeakPolarHBondContact CD1-O 3.46Å; L305-M338 HydrophobicContact CD1-SD 3.89Å; R334-M338 WeakPolarHBondContact O-CB 3.49Å; R334-M338 PolarHBondContact O-N 2.97Å; A335-M338 PolarHBondContact O-N 2.89Å; M338-Q340 VanDerWaalsContact C-N 3.32Å; M338-Q340 PolarHBondContact O-N 3.37Å; M338-E341 WeakPolarHBondContact O-CB 3.47Å; M338-E341 PolarHBondContact O-N 2.87Å; M338-E341 VanDerWaalsContact O-N 3.16Å; M338-A342 PolarHBondContact O-N 2.7Å; M338-V356 HydrophobicContact CE-CG1 4.15Å; M338-V356 HydrophobicContact CE-CG2 3.83Å; M338-F367 HydrophobicContact CE-CE1 4.38Å; M338-F367 HydrophobicContact SD-CE1 4.09Å; M338-F367 HydrophobicContact SD-CZ 3.98Å
339L97.1Very high95.5Very high3 Ų349.8 Ų49.82%0.01626%0.261CS..Hα-helixtrans-71.2-25.2177.8-68.1178.3000113.4A335 G336 L337 E341 D343 K348 V351 P353 F367A335-L339 WeakPolarHBondContact O-CG 3.06Å; A335-L339 PolarHBondContact O-N 3.04Å; G336-L339 PolarHBondContact O-N 2.98Å; L337-L339 VanDerWaalsContact C-N 3.29Å; L337-L339 PolarHBondContact O-N 3.02Å; L339-E341 VanDerWaalsContact C-N 3.35Å; L339-D343 WeakPolarHBondContact O-CB 3.42Å; L339-D343 PolarHBondContact O-N 2.95Å; L339-K348 HydrophobicContact CB-CG 4.39Å; L339-V351 HydrophobicContact CD1-CG2 4.45Å; L339-V351 HydrophobicContact CD2-CG2 3.61Å; L339-P353 HydrophobicContact CD1-CG 4.01Å; L339-F367 HydrophobicContact CD2-CE2 4.07Å; L339-F367 HydrophobicContact CD2-CZ 4.03Å
340Q96.8Very high95.2Very high108 Ų10844 Ų4451%0.50523%0.225SC..Hα-helixtrans-67.6-38.9169.2-69.3170.38.400110.9G336 L337 M338 D343 K344G336-Q340 WeakPolarHBondContact O-CG 3.22Å; G336-Q340 PolarHBondContact O-N 3.25Å; G336-Q340 VanDerWaalsContact O-N 3.14Å; L337-Q340 WeakPolarHBondContact O-CB 3.45Å; L337-Q340 PolarHBondContact O-N 3.09Å; M338-Q340 VanDerWaalsContact C-N 3.32Å; M338-Q340 PolarHBondContact O-N 3.37Å; Q340-D343 WeakPolarHBondContact O-CB 3.49Å; Q340-D343 PolarHBondContact O-N 3.35Å; Q340-K344 PolarHBondContact O-N 2.67Å
341E97.3Very high94.9Very high13 Ų1341.1 Ų41.16%0.06121%0.21CC..Hα-helixtrans-65.9-40.7174.1-61.5-51.1121.100112F302 L305 I321 D322 L337 M338 L339 D343 K344F302-E341 HydrophobicContact CE1-CG 3.96Å; L305-E341 HydrophobicContact CD1-CB 4.09Å; I321-E341 WeakPolarHBondContact CA-OE2 3.21Å; I321-E341 HydrophobicContact CD1-CB 4.26Å; I321-E341 HydrophobicContact CG2-CB 4.05Å; I321-E341 HydrophobicContact CG2-CG 4.07Å; D322-E341 PolarHBondContact N-OE2 3.06Å; L337-E341 PolarHBondContact O-N 3.31Å; L337-E341 VanDerWaalsContact O-N 3.08Å; M338-E341 WeakPolarHBondContact O-CB 3.47Å; M338-E341 PolarHBondContact O-N 2.87Å; M338-E341 VanDerWaalsContact O-N 3.16Å; L339-E341 VanDerWaalsContact C-N 3.35Å; E341-D343 VanDerWaalsContact C-N 3.26Å; E341-D343 PolarHBondContact O-N 3.22Å; E341-K344 WeakPolarHBondContact O-CB 3.46Å; E341-K344 PolarHBondContact O-N 2.76Å; E341-K344 WeakPolarHBondContact OE1-CE 3.27Å; E341-K344 IonicContact OE1-NZ 2.78Å; E341-K344 PolarHBondContact OE1-NZ 3.4Å; E341-K344 WeakPolarHBondContact OE2-CE 3.27Å; E341-K344 IonicContact OE2-NZ 2.78Å; E341-K344 PolarHBondContact OE2-NZ 3.42Å
342A96.6Very high94.7Very high0 Ų040.4 Ų40.40%021%0.208CC..Hα-helixtrans-63.7-30.1172.600000113L305 M338 K344 L345 G346 C347 F367L305-A342 HydrophobicContact CD1-CB 4.21Å; L305-A342 HydrophobicContact CD2-CB 3.98Å; M338-A342 PolarHBondContact O-N 2.7Å; A342-K344 VanDerWaalsContact C-N 3.34Å; A342-L345 WeakPolarHBondContact O-CB 3.48Å; A342-L345 PolarHBondContact O-N 3.39Å; A342-G346 PolarHBondContact O-N 3.2Å; A342-C347 PolarHBondContact O-N 2.9Å; A342-F367 HydrophobicContact CB-CE2 3.95Å; A342-F367 HydrophobicContact CB-CZ 3.84Å
343D95.3Very high94.6Very high87 Ų8738.2 Ų38.247%0.46520%0.199SC..Hα-helixtrans-68.1-33.1177.1-154.729.4000112.2L339 Q340 E341 L345 G346 K348L339-D343 WeakPolarHBondContact O-CB 3.42Å; L339-D343 PolarHBondContact O-N 2.95Å; Q340-D343 WeakPolarHBondContact O-CB 3.49Å; Q340-D343 PolarHBondContact O-N 3.35Å; E341-D343 VanDerWaalsContact C-N 3.26Å; E341-D343 PolarHBondContact O-N 3.22Å; D343-L345 PolarHBondContact O-N 3.5Å; D343-G346 WeakPolarHBondContact O-CA 3.38Å; D343-G346 PolarHBondContact O-N 2.71Å; D343-K348 HydrophobicContact CB-CB 3.87Å; D343-K348 HydrophobicContact CB-CD 3.89Å
344K95.1Very high94.3Very high99 Ų9934.6 Ų34.643%0.4319%0.194SC..Hα-helixtrans-59.8-29172.8-61.5177.4-172.9168.50112.1I319 Q340 E341 A342I319-K344 HydrophobicContact CG2-CB 3.96Å; Q340-K344 PolarHBondContact O-N 2.67Å; E341-K344 WeakPolarHBondContact O-CB 3.46Å; E341-K344 PolarHBondContact O-N 2.76Å; E341-K344 WeakPolarHBondContact OE1-CE 3.27Å; E341-K344 IonicContact OE1-NZ 2.78Å; E341-K344 PolarHBondContact OE1-NZ 3.4Å; E341-K344 WeakPolarHBondContact OE2-CE 3.27Å; E341-K344 IonicContact OE2-NZ 2.78Å; E341-K344 PolarHBondContact OE2-NZ 3.42Å; A342-K344 VanDerWaalsContact C-N 3.34Å
345L92.7Very high93.9Very high7 Ų734.3 Ų34.34%0.03719%0.193CC..THydrogen-bonded Turntrans-86.4-6.7175.1-60-179.6000112.8L305 I308 A309 I319 I321 A342 D343 C347 Y375L305-L345 HydrophobicContact CD2-CD1 3.82Å; I308-L345 HydrophobicContact CG1-CD1 4.34Å; A309-L345 HydrophobicContact CB-CD1 4.48Å; A309-L345 HydrophobicContact CB-CD2 3.96Å; I319-L345 HydrophobicContact CB-CD2 4.12Å; I319-L345 HydrophobicContact CD1-CD2 3.87Å; I319-L345 HydrophobicContact CG2-CD2 3.85Å; I321-L345 HydrophobicContact CD1-CD1 4.43Å; I321-L345 HydrophobicContact CD1-CG 4.36Å; A342-L345 WeakPolarHBondContact O-CB 3.48Å; A342-L345 PolarHBondContact O-N 3.39Å; D343-L345 PolarHBondContact O-N 3.5Å; L345-C347 VanDerWaalsContact C-N 3.27Å; L345-C347 HydrophobicContact CB-CB 4.36Å; L345-Y375 HydrophobicContact CB-CD2 4.3Å; L345-Y375 HydrophobicContact CB-CE2 3.69Å; L345-Y375 HydrophobicContact CD2-CE2 4.18Å; L345-Y375 HydrophobicContact CG-CE2 4.38Å; L345-Y375 WeakPolarHBondContact O-CE2 3.47Å; L345-Y375 PolarHBondContact O-OH 3.13Å
346G91.4Very high93.7Very high34 Ų3434.3 Ų34.335%0.35119%0.193SC..THydrogen-bonded Turntrans77.510.2-172.500000114.1K134 A342 D343 Q349K134-G346 PolarHBondContact NZ-O 3.25Å; A342-G346 PolarHBondContact O-N 3.2Å; D343-G346 WeakPolarHBondContact O-CA 3.38Å; D343-G346 PolarHBondContact O-N 2.71Å; G346-Q349 PolarHBondContact O-NE2 3.18Å
347C92.9Very high93.6Very high0 Ų035 Ų350%019%0.193CC..  trans-102.36.3-169.2-60.90000114.6A342 L345 Q349 F367 N370 L371A342-C347 PolarHBondContact O-N 2.9Å; L345-C347 VanDerWaalsContact C-N 3.27Å; L345-C347 HydrophobicContact CB-CB 4.36Å; C347-Q349 VanDerWaalsContact C-N 3.28Å; C347-Q349 PolarHBondContact O-N 3.41Å; C347-F367 WeakPolarHBondContact O-CE2 3.15Å; C347-N370 WeakPolarHBondContact CA-ND2 3.22Å; C347-N370 PolarHBondContact O-ND2 3.42Å; C347-L371 HydrophobicContact CB-CD2 3.43Å; C347-L371 VanDerWaalsContact CB-CD2 3.43Å; C347-L371 HydrophobicContact CB-CG 4.49Å
348K91.3Very high93.2Very high99 Ų9935.6 Ų35.643%0.4320%0.202SC..  trans-70.881.1175.7-175.5-176.2173.6-176.40111.2L339 D343L339-K348 HydrophobicContact CB-CG 4.39Å; D343-K348 HydrophobicContact CB-CB 3.87Å; D343-K348 HydrophobicContact CB-CD 3.89Å
349Q87.8Confident92.7Very high30 Ų3035.9 Ų35.914%0.1421%0.205CC..  trans-139.9159.4-178.3-56.4-17245.900109.9G346 C347 V351 F367G346-Q349 PolarHBondContact O-NE2 3.18Å; C347-Q349 VanDerWaalsContact C-N 3.28Å; C347-Q349 PolarHBondContact O-N 3.41Å; Q349-V351 PolarHBondContact O-N 3.13Å; Q349-F367 WeakPolarHBondContact O-CD2 3.37Å
350F89.3Confident92.2Very high7 Ų737 Ų373%0.03121%0.211CC..SBendtrans66.3-31.6177.4-55.9-76000118.4A127 W131 I234 L238 A366 N370A127-F350 WeakPolarHBondContact CB-O 3.24Å; W131-F350 HydrophobicContact CB-CD1 4.41Å; W131-F350 HydrophobicContact CB-CE1 3.98Å; W131-F350 HydrophobicContact CB-CZ 4.38Å; W131-F350 AromaticContact CD1-CE1 3.63Å; W131-F350 AromaticContact CD1-CE2 3.63Å; W131-F350 AromaticContact CD1-CZ 3.14Å; W131-F350 AromaticContact CD2-CE1 3.97Å; W131-F350 HydrophobicContact CD2-CE1 3.97Å; W131-F350 AromaticContact CD2-CZ 3.92Å; W131-F350 HydrophobicContact CD2-CZ 3.92Å; W131-F350 AromaticContact CE2-CZ 3.79Å; W131-F350 HydrophobicContact CG-CD1 4.41Å; W131-F350 AromaticContact CG-CE1 3.57Å; W131-F350 HydrophobicContact CG-CE1 3.57Å; W131-F350 HydrophobicContact CG-CE2 4.39Å; W131-F350 AromaticContact CG-CZ 3.58Å; W131-F350 HydrophobicContact CG-CZ 3.58Å; W131-F350 AromaticContact NE1-CE2 3.9Å; W131-F350 AromaticContact NE1-CZ 3.3Å; W131-F350 VanDerWaalsContact NE1-CZ 3.3Å; I234-F350 HydrophobicContact CG2-CE1 3.84Å; I234-F350 HydrophobicContact CG2-CZ 4.19Å; L238-F350 HydrophobicContact CD1-CE1 4.31Å; L238-F350 HydrophobicContact CD1-CE2 4.22Å; L238-F350 HydrophobicContact CD1-CZ 3.84Å; L238-F350 HydrophobicContact CD2-CE2 4.07Å; L238-F350 HydrophobicContact CD2-CZ 3.99Å; L238-F350 HydrophobicContact CG-CZ 4.35Å; F350-A366 HydrophobicContact CB-CB 3.89Å; F350-A366 HydrophobicContact CD1-CB 3.76Å; F350-A366 HydrophobicContact CD2-CB 3.97Å; F350-A366 HydrophobicContact CE1-CB 4.25Å; F350-A366 HydrophobicContact CE2-CB 4.44Å; F350-A366 HydrophobicContact CG-CB 3.59Å; F350-N370 HydrophobicContact CD2-CB 4.18Å; F350-N370 HydrophobicContact CE2-CB 3.96Å
351V91.6Very high91.8Very high12 Ų1235.6 Ų35.67%0.07321%0.211CC..  trans-119.4141.5-175.9-69.80000112.5L339 Q349 D355 V356 L363 F367L339-V351 HydrophobicContact CD1-CG2 4.45Å; L339-V351 HydrophobicContact CD2-CG2 3.61Å; Q349-V351 PolarHBondContact O-N 3.13Å; V351-D355 HydrophobicContact CB-CB 4.29Å; V351-D355 HydrophobicContact CG1-CB 4.33Å; V351-V356 HydrophobicContact CB-CG2 4.06Å; V351-V356 HydrophobicContact CG2-CG2 4.14Å; V351-L363 VanDerWaalsContact CG1-C 3.45Å; V351-L363 HydrophobicContact CG1-CB 3.69Å; V351-L363 WeakPolarHBondContact CG1-O 3.02Å; V351-F367 HydrophobicContact CG1-CB 3.92Å; V351-F367 HydrophobicContact CG2-CB 3.82Å; V351-F367 HydrophobicContact CG2-CD1 4.1Å; V351-F367 HydrophobicContact CG2-CD2 3.65Å; V351-F367 HydrophobicContact CG2-CE2 4.22Å; V351-F367 HydrophobicContact CG2-CG 3.58Å
352T91.7Very high91.3Very high49 Ų4936.7 Ų36.730%0.30122%0.216SC..  trans-98.3167.7161.373.70000110.2A354 D355 V356T352-A354 PolarHBondContact O-N 3.14Å; T352-A354 PolarHBondContact OG1-N 3.38Å; T352-D355 WeakPolarHBondContact CA-OD2 3.48Å; T352-D355 VanDerWaalsContact CB-OD2 3.27Å; T352-D355 WeakPolarHBondContact CB-OD2 3.31Å; T352-D355 WeakPolarHBondContact CG2-OD2 3.16Å; T352-D355 PolarHBondContact N-OD2 3.22Å; T352-D355 PolarHBondContact O-N 3.4Å; T352-D355 PolarHBondContact OG1-N 3.39Å; T352-D355 PolarHBondContact OG1-OD2 3.04Å; T352-V356 PolarHBondContact O-N 2.68Å
353P94.3Very high91Very high42 Ų4236.7 Ų36.727%0.27322%0.216SC..Hα-helixtrans-55.8-35.2174.4-26.735.9000113.3L332 A335 L339 D355 V357L332-P353 HydrophobicContact CD1-CB 3.78Å; L332-P353 HydrophobicContact CG-CB 4.35Å; A335-P353 HydrophobicContact CB-CB 3.96Å; L339-P353 HydrophobicContact CD1-CG 4.01Å; P353-D355 VanDerWaalsContact C-N 3.34Å; P353-V357 WeakPolarHBondContact O-CG2 3.43Å; P353-V357 PolarHBondContact O-N 3.16Å; P353-V357 VanDerWaalsContact O-N 3.12Å
354A91.1Very high90.9Very high53 Ų5332.5 Ų32.544%0.43819%0.194SC..Hα-helixtrans-67.6-3517800000112L332 T352 V357 S358L332-A354 HydrophobicContact CD1-CB 4.28Å; T352-A354 PolarHBondContact O-N 3.14Å; T352-A354 PolarHBondContact OG1-N 3.38Å; A354-V357 PolarHBondContact O-N 3.36Å; A354-S358 VanDerWaalsContact O-CB 3.23Å; A354-S358 WeakPolarHBondContact O-CB 3.43Å; A354-S358 PolarHBondContact O-N 3.4Å; A354-S358 PolarHBondContact O-OG 2.67Å; A354-S358 VanDerWaalsContact O-OG 3.11Å
355D89.8Confident90.8Very high3 Ų328.7 Ų28.72%0.01618%0.178CC..Hα-helixtrans-71.1-35.3-179.9-55-38.7000112.6E123 V351 T352 P353 S358 G359 N360 L363 N364E123-D355 VanDerWaalsContact CB-OD1 3.24Å; E123-D355 WeakPolarHBondContact CB-OD1 3.27Å; E123-D355 WeakPolarHBondContact CG-OD1 3.37Å; V351-D355 HydrophobicContact CB-CB 4.29Å; V351-D355 HydrophobicContact CG1-CB 4.33Å; T352-D355 WeakPolarHBondContact CA-OD2 3.48Å; T352-D355 VanDerWaalsContact CB-OD2 3.27Å; T352-D355 WeakPolarHBondContact CB-OD2 3.31Å; T352-D355 WeakPolarHBondContact CG2-OD2 3.16Å; T352-D355 PolarHBondContact N-OD2 3.22Å; T352-D355 PolarHBondContact O-N 3.4Å; T352-D355 PolarHBondContact OG1-N 3.39Å; T352-D355 PolarHBondContact OG1-OD2 3.04Å; P353-D355 VanDerWaalsContact C-N 3.34Å; D355-S358 WeakPolarHBondContact CA-OG 3.34Å; D355-S358 PolarHBondContact O-OG 2.83Å; D355-S358 VanDerWaalsContact O-OG 3.09Å; D355-G359 PolarHBondContact O-N 3.02Å; D355-N360 PolarHBondContact O-N 3.09Å; D355-N360 VanDerWaalsContact O-N 3.1Å; D355-L363 HydrophobicContact CB-CD1 3.98Å; D355-N364 PolarHBondContact O-ND2 2.66Å
356V93.6Very high90.9Very high0 Ų028.4 Ų28.40%018%0.176CC..Hα-helixtrans-66.2-51.7173179.60000109.5I295 K296 S298 Y301 A335 M338 V351 T352 S358 G359I295-V356 HydrophobicContact CD1-CG1 4.46Å; K296-V356 WeakPolarHBondContact CA-O 3.15Å; S298-V356 WeakPolarHBondContact OG-CG1 3.29Å; Y301-V356 HydrophobicContact CD2-CG1 4.18Å; Y301-V356 HydrophobicContact CE2-CG1 4.12Å; A335-V356 HydrophobicContact CB-CB 4.11Å; A335-V356 HydrophobicContact CB-CG1 4.21Å; M338-V356 HydrophobicContact CE-CG1 4.15Å; M338-V356 HydrophobicContact CE-CG2 3.83Å; V351-V356 HydrophobicContact CB-CG2 4.06Å; V351-V356 HydrophobicContact CG2-CG2 4.14Å; T352-V356 PolarHBondContact O-N 2.68Å; V356-S358 VanDerWaalsContact C-N 3.33Å; V356-S358 PolarHBondContact O-N 3.17Å; V356-G359 WeakPolarHBondContact O-CA 3.28Å; V356-G359 PolarHBondContact O-N 3.25Å
357V93.6Very high91.1Very high33 Ų3326.8 Ų26.820%0.216%0.159CC..Hα-helixtrans-70.1-28.4-177177.20000112.6K296 D331 L332 A335 P353 A354K296-V357 WeakPolarHBondContact CE-O 3.47Å; D331-V357 HydrophobicContact CB-CG1 4.07Å; D331-V357 HydrophobicContact CB-CG2 3.86Å; D331-V357 WeakPolarHBondContact O-CG2 3.38Å; L332-V357 HydrophobicContact CD1-CG2 4.41Å; A335-V357 HydrophobicContact CB-CG2 3.96Å; P353-V357 WeakPolarHBondContact O-CG2 3.43Å; P353-V357 PolarHBondContact O-N 3.16Å; P353-V357 VanDerWaalsContact O-N 3.12Å; A354-V357 PolarHBondContact O-N 3.36Å
358S89.3Confident91.3Very high69 Ų6926.8 Ų26.848%0.48316%0.159SC..Hα-helixtrans-72.7-23171.369.80000111.8A354 D355 V356A354-S358 VanDerWaalsContact O-CB 3.23Å; A354-S358 WeakPolarHBondContact O-CB 3.43Å; A354-S358 PolarHBondContact O-N 3.4Å; A354-S358 PolarHBondContact O-OG 2.67Å; A354-S358 VanDerWaalsContact O-OG 3.11Å; D355-S358 WeakPolarHBondContact CA-OG 3.34Å; D355-S358 PolarHBondContact O-OG 2.83Å; D355-S358 VanDerWaalsContact O-OG 3.09Å; V356-S358 VanDerWaalsContact C-N 3.33Å; V356-S358 PolarHBondContact O-N 3.17Å
359G87.5Confident91.5Very high6 Ų622 Ų226%0.06214%0.139CC..THydrogen-bonded Turntrans7439-177.600000112S292 D355 V356 P361S292-G359 WeakPolarHBondContact CA-O 3.35Å; S292-G359 VanDerWaalsContact CB-O 3.26Å; S292-G359 WeakPolarHBondContact CB-O 3.48Å; D355-G359 PolarHBondContact O-N 3.02Å; V356-G359 WeakPolarHBondContact O-CA 3.28Å; V356-G359 PolarHBondContact O-N 3.25Å; G359-P361 WeakPolarHBondContact O-CD 3.27Å; G359-P361 VanDerWaalsContact O-N 3.13Å
360N87.8Confident91.9Very high25 Ų2521.4 Ų21.413%0.13414%0.136CC..  trans-63.6109.2178.3-177-46.1000109.7D355 K362 L363 N364D355-N360 PolarHBondContact O-N 3.09Å; D355-N360 VanDerWaalsContact O-N 3.1Å; N360-K362 VanDerWaalsContact C-N 3.28Å; N360-K362 PolarHBondContact O-N 3.2Å; N360-K362 WeakPolarHBondContact OD1-CB 3.41Å; N360-K362 PolarHBondContact OD1-N 3.34Å; N360-K362 VanDerWaalsContact OD1-N 3.12Å; N360-L363 HydrophobicContact CB-CB 4.38Å; N360-L363 HydrophobicContact CB-CD1 4.48Å; N360-L363 HydrophobicContact CB-CG 4.49Å; N360-L363 PolarHBondContact OD1-N 3.02Å; N360-L363 VanDerWaalsContact OD1-N 3.16Å; N360-N364 PolarHBondContact N-ND2 3.26Å; N360-N364 WeakPolarHBondContact O-CB 3.32Å; N360-N364 PolarHBondContact O-N 3.22Å; N360-N364 VanDerWaalsContact O-N 3.08Å; N360-N364 PolarHBondContact O-ND2 3.21Å
361P87.4Confident92.2Very high79 Ų7921 Ų2151%0.51314%0.135SC..Hα-helixtrans-65-33.1-169.924.9-33.6000112.7G359 L365G359-P361 WeakPolarHBondContact O-CD 3.27Å; G359-P361 VanDerWaalsContact O-N 3.13Å; P361-L365 WeakPolarHBondContact O-CB 3.34Å; P361-L365 PolarHBondContact O-N 3.35Å
362K86.8Confident92.4Very high36 Ų3620.5 Ų20.516%0.15713%0.132CC..Hα-helixtrans-71.9-48.9-175.5-170.3-170.7-167.4174.60111.4E124 W231 N360 L365 A366E124-K362 HydrophobicContact CG-CD 4.19Å; E124-K362 WeakPolarHBondContact OE1-CD 3.49Å; E124-K362 IonicContact OE1-NZ 2.76Å; E124-K362 PolarHBondContact OE1-NZ 3.38Å; E124-K362 IonicContact OE2-NZ 2.68Å; E124-K362 PolarHBondContact OE2-NZ 3.4Å; W231-K362 VanDerWaalsContact CB-CE 3.42Å; W231-K362 HydrophobicContact CD2-CD 3.93Å; W231-K362 HydrophobicContact CD2-CG 3.75Å; W231-K362 VanDerWaalsContact CE2-CE 3.4Å; W231-K362 VanDerWaalsContact CE2-CG 3.49Å; W231-K362 HydrophobicContact CE3-CD 4.22Å; W231-K362 HydrophobicContact CE3-CG 3.88Å; W231-K362 HydrophobicContact CG-CD 4.22Å; W231-K362 HydrophobicContact CG-CG 4.49Å; W231-K362 HydrophobicContact CH2-CG 3.56Å; W231-K362 WeakPolarHBondContact CH2-O 3.28Å; W231-K362 HydrophobicContact CZ2-CD 4.42Å; W231-K362 HydrophobicContact CZ2-CG 3.4Å; W231-K362 VanDerWaalsContact CZ2-CG 3.4Å; W231-K362 HydrophobicContact CZ3-CG 3.79Å; N360-K362 VanDerWaalsContact C-N 3.28Å; N360-K362 PolarHBondContact O-N 3.2Å; N360-K362 WeakPolarHBondContact OD1-CB 3.41Å; N360-K362 PolarHBondContact OD1-N 3.34Å; N360-K362 VanDerWaalsContact OD1-N 3.12Å; K362-L365 PolarHBondContact O-N 2.78Å; K362-A366 WeakPolarHBondContact O-CB 3.19Å; K362-A366 PolarHBondContact O-N 3.16Å
363L91Very high92.5Very high0 Ų021 Ų210%013%0.132CC..Hα-helixtrans-69.6-40.1179.8-60.7-176.6000111.4E123 E124 A127 F128 V351 D355 N360 A366 F367E123-L363 HydrophobicContact CB-CD1 4.05Å; E124-L363 HydrophobicContact CG-CD2 4.27Å; E124-L363 HydrophobicContact CG-CG 4.49Å; A127-L363 HydrophobicContact CB-CD1 4.23Å; A127-L363 HydrophobicContact CB-CD2 3.62Å; F128-L363 HydrophobicContact CE1-CD2 4.36Å; V351-L363 VanDerWaalsContact CG1-C 3.45Å; V351-L363 HydrophobicContact CG1-CB 3.69Å; V351-L363 WeakPolarHBondContact CG1-O 3.02Å; D355-L363 HydrophobicContact CB-CD1 3.98Å; N360-L363 HydrophobicContact CB-CB 4.38Å; N360-L363 HydrophobicContact CB-CD1 4.48Å; N360-L363 HydrophobicContact CB-CG 4.49Å; N360-L363 PolarHBondContact OD1-N 3.02Å; N360-L363 VanDerWaalsContact OD1-N 3.16Å; L363-A366 PolarHBondContact O-N 3.05Å; L363-F367 WeakPolarHBondContact O-CB 3.43Å; L363-F367 PolarHBondContact O-N 3.15Å
364N93.8Very high92.4Very high0 Ų021.9 Ų21.90%014%0.137CC..Hα-helixtrans-66.5-38.5176-77.5-74.2000112.2F291 I295 Y301 D355 N360 F367 V368F291-N364 HydrophobicContact CB-CB 4.15Å; F291-N364 WeakPolarHBondContact O-CB 3.48Å; I295-N364 HydrophobicContact CD1-CB 4.21Å; I295-N364 VanDerWaalsContact CD1-CG 3.45Å; I295-N364 WeakPolarHBondContact CD1-OD1 3.4Å; I295-N364 HydrophobicContact CG1-CB 4.46Å; Y301-N364 WeakPolarHBondContact CE2-OD1 3.22Å; Y301-N364 WeakPolarHBondContact OH-CB 3.43Å; Y301-N364 PolarHBondContact OH-OD1 3.18Å; Y301-N364 VanDerWaalsContact OH-OD1 3.11Å; D355-N364 PolarHBondContact O-ND2 2.66Å; N360-N364 PolarHBondContact N-ND2 3.26Å; N360-N364 WeakPolarHBondContact O-CB 3.32Å; N360-N364 PolarHBondContact O-N 3.22Å; N360-N364 VanDerWaalsContact O-N 3.08Å; N360-N364 PolarHBondContact O-ND2 3.21Å; N364-F367 PolarHBondContact O-N 3.33Å; N364-V368 WeakPolarHBondContact O-CB 3.5Å; N364-V368 VanDerWaalsContact O-CG2 3.23Å; N364-V368 WeakPolarHBondContact O-CG2 3.4Å; N364-V368 PolarHBondContact O-N 3.28Å
365L93.2Very high92.5Very high19 Ų1922.1 Ų22.110%0.09913%0.127CC..Hα-helixtrans-62.2-43.2172.1177.563.4000111.8F239 E269 L272 F291 P361 K362 V368 A369F239-L365 HydrophobicContact CE1-CG 4.39Å; F239-L365 HydrophobicContact CZ-CD1 4Å; F239-L365 HydrophobicContact CZ-CD2 3.86Å; F239-L365 HydrophobicContact CZ-CG 3.86Å; E269-L365 HydrophobicContact CB-CD1 4.47Å; E269-L365 HydrophobicContact CG-CD1 4.06Å; E269-L365 HydrophobicContact CG-CD2 3.73Å; L272-L365 HydrophobicContact CD1-CD1 3.78Å; F291-L365 HydrophobicContact CD2-CB 4.33Å; F291-L365 HydrophobicContact CD2-CD1 3.71Å; F291-L365 HydrophobicContact CE2-CD1 3.68Å; P361-L365 WeakPolarHBondContact O-CB 3.34Å; P361-L365 PolarHBondContact O-N 3.35Å; K362-L365 PolarHBondContact O-N 2.78Å; L365-V368 PolarHBondContact O-N 3.43Å; L365-A369 WeakPolarHBondContact O-CB 3.49Å; L365-A369 PolarHBondContact O-N 3.26Å
366A93.2Very high92.6Very high0 Ų023.7 Ų23.70%014%0.138CC..Hα-helixtrans-64.3-40.5176.300000112.5W231 L238 F350 K362 L363 A369 N370W231-A366 HydrophobicContact CH2-CB 4.09Å; W231-A366 HydrophobicContact CZ3-CB 3.9Å; L238-A366 HydrophobicContact CD1-CB 3.8Å; F350-A366 HydrophobicContact CB-CB 3.89Å; F350-A366 HydrophobicContact CD1-CB 3.76Å; F350-A366 HydrophobicContact CD2-CB 3.97Å; F350-A366 HydrophobicContact CE1-CB 4.25Å; F350-A366 HydrophobicContact CE2-CB 4.44Å; F350-A366 HydrophobicContact CG-CB 3.59Å; K362-A366 WeakPolarHBondContact O-CB 3.19Å; K362-A366 PolarHBondContact O-N 3.16Å; L363-A366 PolarHBondContact O-N 3.05Å; A366-A369 PolarHBondContact O-N 3.06Å; A366-N370 WeakPolarHBondContact O-CB 3.2Å; A366-N370 PolarHBondContact O-N 2.99Å
367F96.1Very high92.5Very high0 Ų026.3 Ų26.30%016%0.155CC..Hα-helixtrans-60.8-46.5173.6175.2-116000111.7Y301 M338 L339 A342 C347 Q349 V351 L363 N364 N370 L371Y301-F367 HydrophobicContact CD1-CD1 4.39Å; Y301-F367 AromaticContact CD1-CE1 3.91Å; Y301-F367 HydrophobicContact CD1-CE1 3.91Å; Y301-F367 HydrophobicContact CD2-CE1 4.46Å; Y301-F367 AromaticContact CE1-CD1 3.87Å; Y301-F367 HydrophobicContact CE1-CD1 3.87Å; Y301-F367 AromaticContact CE1-CE1 3.87Å; Y301-F367 HydrophobicContact CE1-CE1 3.87Å; Y301-F367 HydrophobicContact CE2-CD1 4.36Å; Y301-F367 HydrophobicContact CE2-CE1 4.38Å; Y301-F367 HydrophobicContact CG-CE1 4.24Å; Y301-F367 AromaticContact CZ-CD1 3.86Å; M338-F367 HydrophobicContact CE-CE1 4.38Å; M338-F367 HydrophobicContact SD-CE1 4.09Å; M338-F367 HydrophobicContact SD-CZ 3.98Å; L339-F367 HydrophobicContact CD2-CE2 4.07Å; L339-F367 HydrophobicContact CD2-CZ 4.03Å; A342-F367 HydrophobicContact CB-CE2 3.95Å; A342-F367 HydrophobicContact CB-CZ 3.84Å; C347-F367 WeakPolarHBondContact O-CE2 3.15Å; Q349-F367 WeakPolarHBondContact O-CD2 3.37Å; V351-F367 HydrophobicContact CG1-CB 3.92Å; V351-F367 HydrophobicContact CG2-CB 3.82Å; V351-F367 HydrophobicContact CG2-CD1 4.1Å; V351-F367 HydrophobicContact CG2-CD2 3.65Å; V351-F367 HydrophobicContact CG2-CE2 4.22Å; V351-F367 HydrophobicContact CG2-CG 3.58Å; L363-F367 WeakPolarHBondContact O-CB 3.43Å; L363-F367 PolarHBondContact O-N 3.15Å; N364-F367 PolarHBondContact O-N 3.33Å; F367-N370 WeakPolarHBondContact O-CB 3.34Å; F367-N370 PolarHBondContact O-N 3Å; F367-L371 HydrophobicContact CD1-CD1 4.17Å; F367-L371 HydrophobicContact CE1-CD1 3.71Å; F367-L371 HydrophobicContact CE1-CG 4.48Å; F367-L371 HydrophobicContact CE2-CD1 4.4Å; F367-L371 HydrophobicContact CE2-CD2 4.37Å; F367-L371 HydrophobicContact CE2-CG 4.35Å; F367-L371 HydrophobicContact CZ-CD1 3.84Å; F367-L371 HydrophobicContact CZ-CD2 4.31Å; F367-L371 HydrophobicContact CZ-CG 4.26Å; F367-L371 WeakPolarHBondContact O-CG 3.44Å; F367-L371 PolarHBondContact O-N 3.05Å
368V97Very high92.4Very high0 Ų025.6 Ų25.60%015%0.15CC..Hα-helixtrans-63.5-43.3177.2169.90000111.8L272 W275 V276 F291 Y301 N364 L365 N370 L371 F372L272-V368 HydrophobicContact CB-CG1 4.27Å; L272-V368 HydrophobicContact CD1-CG1 4.42Å; L272-V368 HydrophobicContact CD2-CG1 4.15Å; W275-V368 HydrophobicContact CE3-CG1 4.27Å; W275-V368 HydrophobicContact CZ3-CG1 3.99Å; V276-V368 HydrophobicContact CG2-CG1 3.68Å; F291-V368 HydrophobicContact CD1-CG2 3.89Å; F291-V368 HydrophobicContact CE1-CB 4.26Å; F291-V368 HydrophobicContact CE1-CG1 3.85Å; F291-V368 HydrophobicContact CE1-CG2 3.83Å; F291-V368 HydrophobicContact CZ-CG1 3.9Å; Y301-V368 HydrophobicContact CE1-CG2 3.63Å; N364-V368 WeakPolarHBondContact O-CB 3.5Å; N364-V368 VanDerWaalsContact O-CG2 3.23Å; N364-V368 WeakPolarHBondContact O-CG2 3.4Å; N364-V368 PolarHBondContact O-N 3.28Å; L365-V368 PolarHBondContact O-N 3.43Å; V368-N370 VanDerWaalsContact C-N 3.32Å; V368-N370 PolarHBondContact O-N 3.28Å; V368-L371 WeakPolarHBondContact O-CB 3.4Å; V368-L371 PolarHBondContact O-N 3.46Å; V368-F372 PolarHBondContact O-N 3.25Å
369A96.1Very high92.1Very high0 Ų028.9 Ų28.90%016%0.157CC..Hα-helixtrans-60.8-42.3175.200000111.8L238 F239 I242 L272 L365 A366 L371 F372 N373L238-A369 HydrophobicContact CB-CB 4.14Å; L238-A369 HydrophobicContact CD1-CB 4.45Å; F239-A369 HydrophobicContact CD1-CB 4.19Å; F239-A369 HydrophobicContact CE1-CB 3.83Å; I242-A369 HydrophobicContact CD1-CB 4.12Å; L272-A369 HydrophobicContact CD1-CB 3.78Å; L365-A369 WeakPolarHBondContact O-CB 3.49Å; L365-A369 PolarHBondContact O-N 3.26Å; A366-A369 PolarHBondContact O-N 3.06Å; A369-L371 VanDerWaalsContact C-N 3.34Å; A369-L371 PolarHBondContact O-N 2.98Å; A369-F372 PolarHBondContact O-N 3.31Å; A369-N373 WeakPolarHBondContact O-CB 3.4Å; A369-N373 VanDerWaalsContact O-CG 3.24Å; A369-N373 PolarHBondContact O-N 3.25Å; A369-N373 PolarHBondContact O-ND2 3.45Å
370N95.1Very high91.8Very high16 Ų1632.9 Ų32.99%0.08617%0.173CC..Hα-helixtrans-63-38.3175-177.769.5000112.4C347 F350 A366 F367 V368 T374C347-N370 WeakPolarHBondContact CA-ND2 3.22Å; C347-N370 PolarHBondContact O-ND2 3.42Å; F350-N370 HydrophobicContact CD2-CB 4.18Å; F350-N370 HydrophobicContact CE2-CB 3.96Å; A366-N370 WeakPolarHBondContact O-CB 3.2Å; A366-N370 PolarHBondContact O-N 2.99Å; F367-N370 WeakPolarHBondContact O-CB 3.34Å; F367-N370 PolarHBondContact O-N 3Å; V368-N370 VanDerWaalsContact C-N 3.32Å; V368-N370 PolarHBondContact O-N 3.28Å; N370-T374 PolarHBondContact O-N 3.44Å; N370-T374 PolarHBondContact O-OG1 3.03Å
371L96.1Very high91.5Very high0 Ų033.9 Ų33.90%018%0.181CC..Hα-helixtrans-62.8-48173-68.2173.2000111.2W275 L304 L305 I308 C347 F367 V368 A369 T374 Y375W275-L371 HydrophobicContact CH2-CB 4.01Å; L304-L371 HydrophobicContact CD2-CD1 4.11Å; L305-L371 HydrophobicContact CD2-CD1 4.28Å; L305-L371 HydrophobicContact CD2-CD2 3.75Å; I308-L371 HydrophobicContact CD1-CB 4.01Å; I308-L371 HydrophobicContact CD1-CD1 4.43Å; I308-L371 HydrophobicContact CD1-CD2 4.05Å; I308-L371 HydrophobicContact CD1-CG 4.4Å; C347-L371 HydrophobicContact CB-CD2 3.43Å; C347-L371 VanDerWaalsContact CB-CD2 3.43Å; C347-L371 HydrophobicContact CB-CG 4.49Å; F367-L371 HydrophobicContact CD1-CD1 4.17Å; F367-L371 HydrophobicContact CE1-CD1 3.71Å; F367-L371 HydrophobicContact CE1-CG 4.48Å; F367-L371 HydrophobicContact CE2-CD1 4.4Å; F367-L371 HydrophobicContact CE2-CD2 4.37Å; F367-L371 HydrophobicContact CE2-CG 4.35Å; F367-L371 HydrophobicContact CZ-CD1 3.84Å; F367-L371 HydrophobicContact CZ-CD2 4.31Å; F367-L371 HydrophobicContact CZ-CG 4.26Å; F367-L371 WeakPolarHBondContact O-CG 3.44Å; F367-L371 PolarHBondContact O-N 3.05Å; V368-L371 WeakPolarHBondContact O-CB 3.4Å; V368-L371 PolarHBondContact O-N 3.46Å; A369-L371 VanDerWaalsContact C-N 3.34Å; A369-L371 PolarHBondContact O-N 2.98Å; L371-T374 PolarHBondContact O-N 3.42Å; L371-Y375 PolarHBondContact O-N 3.3Å
372F96.2Very high90.7Very high1 Ų137.9 Ų37.90%0.00420%0.198CC..Hα-helixtrans-58.8-49.9177.7175.4-93.7000111.5I242 N247 L250 L272 W275 V368 A369 T374 Y375 P376 L378I242-F372 HydrophobicContact CB-CE1 4.37Å; I242-F372 HydrophobicContact CD1-CD1 4.2Å; I242-F372 HydrophobicContact CG1-CD1 3.75Å; I242-F372 HydrophobicContact CG1-CE1 3.86Å; I242-F372 HydrophobicContact CG2-CE1 4.44Å; N247-F372 WeakPolarHBondContact ND2-CZ 3.32Å; L250-F372 HydrophobicContact CD1-CZ 4.27Å; L250-F372 HydrophobicContact CD2-CE2 3.63Å; L250-F372 HydrophobicContact CD2-CZ 3.55Å; L250-F372 HydrophobicContact CG-CZ 4.02Å; L272-F372 HydrophobicContact CD2-CB 3.61Å; L272-F372 HydrophobicContact CD2-CD1 4.41Å; L272-F372 HydrophobicContact CD2-CD2 4.36Å; L272-F372 HydrophobicContact CD2-CG 3.88Å; W275-F372 HydrophobicContact CB-CD2 4.48Å; W275-F372 AromaticContact CD1-CD2 3.71Å; W275-F372 AromaticContact CD1-CE2 3.9Å; W275-F372 HydrophobicContact CD2-CB 4.36Å; W275-F372 AromaticContact CD2-CD2 3.69Å; W275-F372 HydrophobicContact CD2-CD2 3.69Å; W275-F372 HydrophobicContact CD2-CG 4.5Å; W275-F372 AromaticContact CE2-CD2 3.67Å; W275-F372 HydrophobicContact CE3-CB 4.23Å; W275-F372 HydrophobicContact CE3-CD2 4.33Å; W275-F372 AromaticContact CG-CD2 3.71Å; W275-F372 HydrophobicContact CG-CD2 3.71Å; W275-F372 HydrophobicContact CG-CE2 4.16Å; W275-F372 HydrophobicContact CH2-CB 4.18Å; W275-F372 HydrophobicContact CZ2-CB 4.28Å; W275-F372 HydrophobicContact CZ2-CD2 4.29Å; W275-F372 HydrophobicContact CZ3-CB 4.14Å; W275-F372 AromaticContact NE1-CD2 3.63Å; V368-F372 PolarHBondContact O-N 3.25Å; A369-F372 PolarHBondContact O-N 3.31Å; F372-T374 PolarHBondContact O-N 3.39Å; F372-T374 VanDerWaalsContact O-N 3.17Å; F372-Y375 CarbonylContact O-C 3.45Å; F372-Y375 PolarHBondContact O-N 2.92Å; F372-P376 HydrophobicContact CD2-CB 4.35Å; F372-P376 HydrophobicContact CE2-CB 4.04Å; F372-P376 HydrophobicContact CZ-CB 4.4Å; F372-P376 WeakPolarHBondContact O-CD 3.44Å; F372-P376 WeakPolarHBondContact O-CG 3.33Å; F372-P376 VanDerWaalsContact O-N 3.09Å; F372-L378 HydrophobicContact CE2-CD1 4.45Å
373N93.3Very high89.7Confident58 Ų5840.5 Ų40.531%0.3121%0.214SC..Hα-helixtrans-63.1-25.3-178.6-67.8-14.4000112.9L238 A369L238-N373 PolarHBondContact O-ND2 2.95Å; A369-N373 WeakPolarHBondContact O-CB 3.4Å; A369-N373 VanDerWaalsContact O-CG 3.24Å; A369-N373 PolarHBondContact O-N 3.25Å; A369-N373 PolarHBondContact O-ND2 3.45Å
374T92.6Very high88.2Confident61 Ų6148 Ų4837%0.37425%0.254SS..Hα-helixtrans-90.5-42.5178.8-42.90000112N370 L371 F372N370-T374 PolarHBondContact O-N 3.44Å; N370-T374 PolarHBondContact O-OG1 3.03Å; L371-T374 PolarHBondContact O-N 3.42Å; F372-T374 PolarHBondContact O-N 3.39Å; F372-T374 VanDerWaalsContact O-N 3.17Å
375Y93.2Very high86.8Confident58 Ų5854.9 Ų54.923%0.22729%0.291CS..  trans-139.778.5-176.7-59.4-80.1000111.1P310 L345 L371 F372 C377P310-Y375 HydrophobicContact CG-CD1 3.85Å; P310-Y375 HydrophobicContact CG-CE1 3.45Å; P310-Y375 VanDerWaalsContact CG-CE1 3.45Å; L345-Y375 HydrophobicContact CB-CD2 4.3Å; L345-Y375 HydrophobicContact CB-CE2 3.69Å; L345-Y375 HydrophobicContact CD2-CE2 4.18Å; L345-Y375 HydrophobicContact CG-CE2 4.38Å; L345-Y375 WeakPolarHBondContact O-CE2 3.47Å; L345-Y375 PolarHBondContact O-OH 3.13Å; L371-Y375 PolarHBondContact O-N 3.3Å; F372-Y375 CarbonylContact O-C 3.45Å; F372-Y375 PolarHBondContact O-N 2.92Å; Y375-C377 VanDerWaalsContact C-N 3.26Å; Y375-C377 PolarHBondContact O-N 2.87Å
376P92.4Very high85.7Confident37 Ų3755.5 Ų55.524%0.2429%0.294CS..  trans-60.4-37.8175.8-20.328.9000112.1W275 H279 F372 L378W275-P376 PolarHBondContact NE1-O 3.43Å; H279-P376 PolarHBondContact NE2-O 2.76Å; H279-P376 VanDerWaalsContact NE2-O 3.16Å; F372-P376 HydrophobicContact CD2-CB 4.35Å; F372-P376 HydrophobicContact CE2-CB 4.04Å; F372-P376 HydrophobicContact CZ-CB 4.4Å; F372-P376 WeakPolarHBondContact O-CD 3.44Å; F372-P376 WeakPolarHBondContact O-CG 3.33Å; F372-P376 VanDerWaalsContact O-N 3.09Å; P376-L378 PolarHBondContact O-N 2.82Å
377C91.3Very high84.5Confident55 Ų5559.4 Ų59.437%0.37232%0.315SS..  trans50.343.2-178-161.50000112.2H279 I308 Y375H279-C377 PolarHBondContact CE1-O 3.02Å; I308-C377 HydrophobicContact CB-CB 4.37Å; I308-C377 HydrophobicContact CG2-CB 4.42Å; Y375-C377 VanDerWaalsContact C-N 3.26Å; Y375-C377 PolarHBondContact O-N 2.87Å
378L90.2Very high83.2Confident17 Ų1763.1 Ų63.19%0.08933%0.333CS..  trans-119.4142.9175.7-65.6179.7000108.8A249 L250 A252 L253 Y278 F372 P376A249-L378 HydrophobicContact CB-CB 3.67Å; A249-L378 WeakPolarHBondContact O-CD1 3.45Å; L250-L378 HydrophobicContact CD2-CD1 4.09Å; A252-L378 HydrophobicContact CB-CD2 4.31Å; L253-L378 HydrophobicContact CD1-CD1 4.37Å; L253-L378 HydrophobicContact CD2-CD1 4.15Å; L253-L378 HydrophobicContact CD2-CD2 4.03Å; L253-L378 HydrophobicContact CG-CD1 4.11Å; Y278-L378 HydrophobicContact CD1-CD2 3.75Å; Y278-L378 HydrophobicContact CE1-CD2 3.55Å; F372-L378 HydrophobicContact CE2-CD1 4.45Å; P376-L378 PolarHBondContact O-N 2.82Å
379H84.6Confident81.8Confident138 Ų13869.2 Ų69.264%0.63937%0.366SS*.  trans-113.9134.8171.5-60.5-69.4000109.1
380K80.9Confident80.5Confident91 Ų9172.1 Ų72.140%0.39638%0.381SS..  trans-57.4125.8174.3-176.9179.2178.8174.60109E248E248-K380 HydrophobicContact CB-CD 4.31Å; E248-K380 WeakPolarHBondContact OE2-CD 3.39Å; E248-K380 WeakPolarHBondContact OE2-CE 3.23Å; E248-K380 IonicContact OE2-NZ 3.97Å; E248-K380 PolarHBondContact OE2-NZ 2.83Å
381P80.5Confident79.1Confident45 Ų4572.2 Ų72.229%0.29238%0.381SS..  trans-65.7138.217624.9-30.4000109.9I251 N383 I386I251-P381 HydrophobicContact CB-CG 4.25Å; I251-P381 HydrophobicContact CG2-CG 3.65Å; P381-N383 HydrophobicContact CB-CB 4.46Å; P381-N383 PolarHBondContact O-N 2.91Å; P381-I386 HydrophobicContact CG-CD1 4.31Å
382N71.3Confident77.9Confident163 Ų16380.4 Ų80.487%0.87242%0.419SS*.  trans-73.625.3177.2-71.3-27.3000113.1N384N382-N384 PolarHBondContact O-N 3.45Å
383N65Low76.7Confident92 Ų9282.2 Ų82.249%0.49244%0.439SS..  trans-81.7110.7-168.1-152.410000110.3P381 D385 I386P381-N383 HydrophobicContact CB-CB 4.46Å; P381-N383 PolarHBondContact O-N 2.91Å; N383-D385 PolarHBondContact O-N 2.97Å; N383-I386 HydrophobicContact CB-CD1 4.12Å; N383-I386 HydrophobicContact CB-CG1 4.21Å
384N60.3Low76.2Confident158 Ų15881.4 Ų81.485%0.84543%0.433SS*.THydrogen-bonded Turntrans-70.1-10.3-178.5-71.1-23.6000113.4N382 I386N382-N384 PolarHBondContact O-N 3.45Å; N384-I386 VanDerWaalsContact C-N 3.3Å
385D65.1Low76Confident144 Ų14480.6 Ų80.677%0.7743%0.43SS*.THydrogen-bonded Turntrans-83.9-3.8-177.8-63.2-29.9000113.4N383N383-D385 PolarHBondContact O-N 2.97Å
386I69Low75.6Confident31 Ų3182 Ų8216%0.15944%0.437CS..SBendtrans-86.5118179-55.8-177.6000109I251 L260 P381 N383 N384 M388I251-I386 HydrophobicContact CG2-CD1 3.36Å; L260-I386 HydrophobicContact CD2-CG2 3.72Å; P381-I386 HydrophobicContact CG-CD1 4.31Å; N383-I386 HydrophobicContact CB-CD1 4.12Å; N383-I386 HydrophobicContact CB-CG1 4.21Å; N384-I386 VanDerWaalsContact C-N 3.3Å; I386-M388 PolarHBondContact O-N 2.9Å
387D68.6Low75.3Confident83 Ų8383.4 Ų83.444%0.44444%0.441SS..  trans-69.695.7174.9-173.33.4000110.3N389 L390D387-N389 PolarHBondContact O-N 3.48Å; D387-N389 VanDerWaalsContact O-N 3.09Å; D387-N389 VanDerWaalsContact OD1-CB 3.27Å; D387-N389 WeakPolarHBondContact OD1-CB 3.12Å; D387-N389 PolarHBondContact OD1-N 3.33Å; D387-N389 PolarHBondContact OD1-ND2 2.87Å; D387-L390 HydrophobicContact CB-CD1 3.9Å; D387-L390 HydrophobicContact CB-CG 4.08Å; D387-L390 VanDerWaalsContact O-CB 3.31Å; D387-L390 WeakPolarHBondContact O-CB 3.45Å; D387-L390 PolarHBondContact O-N 3.24Å
388M69.4Low75.3Confident78 Ų7882.4 Ų82.438%0.38443%0.43SS..G310 helixtrans-60.7-17.7178.7-67.5-65.8-58.200113.1I386 L390 L391I386-M388 PolarHBondContact O-N 2.9Å; M388-L390 PolarHBondContact O-N 2.94Å; M388-L391 HydrophobicContact CE-CD1 3.34Å; M388-L391 WeakPolarHBondContact O-CB 3.5Å; M388-L391 PolarHBondContact O-N 3.13Å; M388-L391 HydrophobicContact SD-CD1 3.53Å; M388-L391 VanDerWaalsContact SD-CD1 3.53Å
389N67.1Low75.3Confident128 Ų12884.2 Ų84.268%0.68444%0.436SS*.G310 helixtrans-69.2-18.6175.1-56.2-58.1000112.3D387 L391D387-N389 PolarHBondContact O-N 3.48Å; D387-N389 VanDerWaalsContact O-N 3.09Å; D387-N389 VanDerWaalsContact OD1-CB 3.27Å; D387-N389 WeakPolarHBondContact OD1-CB 3.12Å; D387-N389 PolarHBondContact OD1-N 3.33Å; D387-N389 PolarHBondContact OD1-ND2 2.87Å; N389-L391 PolarHBondContact O-N 2.87Å
390L67.5Low75.6Confident60 Ų6078 Ų7831%0.31441%0.407SS..G310 helixtrans-72-15174-63.9169.7000112.8L260 E261 M264 D387 M388 E392L260-L390 HydrophobicContact CD2-CB 4.37Å; L260-L390 HydrophobicContact CD2-CD1 4.48Å; E261-L390 WeakPolarHBondContact OE1-CD1 3.46Å; M264-L390 VanDerWaalsContact CE-O 3.28Å; M264-L390 WeakPolarHBondContact CE-O 3.42Å; D387-L390 HydrophobicContact CB-CD1 3.9Å; D387-L390 HydrophobicContact CB-CG 4.08Å; D387-L390 VanDerWaalsContact O-CB 3.31Å; D387-L390 WeakPolarHBondContact O-CB 3.45Å; D387-L390 PolarHBondContact O-N 3.24Å; M388-L390 PolarHBondContact O-N 2.94Å; L390-E392 VanDerWaalsContact C-N 3.25Å; L390-E392 PolarHBondContact O-N 3.32Å
391L67.1Low76.3Confident18 Ų1873.7 Ų73.79%0.09439%0.389CS..G310 helixtrans-87.312.6-177.6-62.5169.1000113.3I244 I251 L260 M388 N389 G393I244-L391 HydrophobicContact CG2-CD2 3.65Å; I251-L391 HydrophobicContact CD1-CD1 3.95Å; I251-L391 HydrophobicContact CD1-CD2 4.31Å; L260-L391 HydrophobicContact CD2-CD2 4.07Å; L260-L391 HydrophobicContact CD2-CG 4.43Å; M388-L391 HydrophobicContact CE-CD1 3.34Å; M388-L391 WeakPolarHBondContact O-CB 3.5Å; M388-L391 PolarHBondContact O-N 3.13Å; M388-L391 HydrophobicContact SD-CD1 3.53Å; M388-L391 VanDerWaalsContact SD-CD1 3.53Å; N389-L391 PolarHBondContact O-N 2.87Å; L391-G393 PolarHBondContact O-N 3.34Å
392E70.1Confident77Confident172 Ų17273.2 Ų73.280%0.80438%0.381SS*.  trans-55.6111.8167.7-77.7-169169.800108.8L390L390-E392 VanDerWaalsContact C-N 3.25Å; L390-E392 PolarHBondContact O-N 3.32Å
393G70.9Confident78Confident40 Ų4066.3 Ų66.341%0.41234%0.344SS..PPolyproline II helixtrans-64.2164.8-179.900000112.3L391 S395L391-G393 PolarHBondContact O-N 3.34Å; G393-S395 PolarHBondContact O-N 2.94Å
394E84Confident79.4Confident41 Ų4162 Ų6219%0.19232%0.321CS..PPolyproline II helixtrans-49.9128.2-179.8-174.2-175.1-140.900111.9E398 R399 R402E394-E398 HydrophobicContact CG-CB 3.52Å; E394-R399 HydrophobicContact CG-CB 4.21Å; E394-R399 VanDerWaalsContact OE1-CA 3.27Å; E394-R399 WeakPolarHBondContact OE1-CA 3.49Å; E394-R399 PolarHBondContact OE1-N 3.43Å; E394-R399 WeakPolarHBondContact OE2-CA 3.47Å; E394-R399 WeakPolarHBondContact OE2-CB 3.39Å; E394-R399 WeakPolarHBondContact OE2-CG 3.33Å; E394-R402 IonicContact OE1-CZ 2.77Å; E394-R402 IonicContact OE1-NE 3.68Å; E394-R402 PolarHBondContact OE1-NE 3.08Å; E394-R402 IonicContact OE1-NH2 3.61Å; E394-R402 PolarHBondContact OE1-NH2 3.16Å; E394-R402 IonicContact OE2-CZ 3.17Å; E394-R402 IonicContact OE2-NE 3.43Å; E394-R402 IonicContact OE2-NH2 3.51Å; E394-R402 PolarHBondContact OE2-NH2 3.11Å
395S86.9Confident81.1Confident44 Ų4454.5 Ų54.531%0.30828%0.281SS..PPolyproline II helixtrans-69155.6177.577.60000111.5G393 E397 E398 R399G393-S395 PolarHBondContact O-N 2.94Å; S395-E397 PolarHBondContact O-N 2.83Å; S395-E398 PolarHBondContact N-OE2 3.11Å; S395-E398 WeakPolarHBondContact O-CB 3.35Å; S395-E398 PolarHBondContact O-N 2.87Å; S395-E398 VanDerWaalsContact O-N 3.16Å; S395-E398 VanDerWaalsContact OG-CG 3.22Å; S395-E398 WeakPolarHBondContact OG-CG 3.34Å; S395-E398 PolarHBondContact OG-N 3.25Å; S395-E398 PolarHBondContact OG-OE1 2.92Å; S395-R399 PolarHBondContact O-N 3.34Å
396K85.4Confident82.4Confident86 Ų8647.7 Ų47.737%0.37424%0.244SC..Hα-helixtrans-57-36.2177.6-68.4-175-173.6-176.30112.6T400 L601 D603K396-T400 WeakPolarHBondContact O-CB 3.27Å; K396-T400 PolarHBondContact O-N 2.92Å; K396-T400 VanDerWaalsContact O-N 3.17Å; K396-T400 PolarHBondContact O-OG1 2.63Å; K396-L601 HydrophobicContact CB-CD1 3.86Å; K396-L601 HydrophobicContact CD-CD1 4.04Å; K396-L601 HydrophobicContact CG-CD1 4.02Å; K396-D603 IonicContact NZ-OD1 3.49Å; K396-D603 IonicContact NZ-OD2 2.86Å; K396-D603 PolarHBondContact NZ-OD2 2.92Å
397E86.8Confident83.4Confident68 Ų6846.3 Ų46.332%0.31824%0.238SC..Hα-helixtrans-70.4-42.5178.4-173.8172.2-15900110.9S395 T400 F401 K611S395-E397 PolarHBondContact O-N 2.83Å; E397-T400 WeakPolarHBondContact O-CB 3.43Å; E397-T400 PolarHBondContact O-N 3Å; E397-F401 HydrophobicContact CG-CD2 3.92Å; E397-F401 HydrophobicContact CG-CE2 3.35Å; E397-F401 HydrophobicContact CG-CZ 3.94Å; E397-F401 VanDerWaalsContact O-CD2 3.29Å; E397-F401 WeakPolarHBondContact O-CD2 3.37Å; E397-F401 PolarHBondContact O-N 2.97Å; E397-K611 IonicContact OE1-NZ 2.78Å; E397-K611 PolarHBondContact OE1-NZ 2.94Å
398E90.4Very high84.3Confident34 Ų3443.4 Ų43.416%0.15922%0.222CC..Hα-helixtrans-57.6-52.1174-76.5155.8-145.700112E394 S395 T400 F401 R402 L417 Y418 L493E394-E398 HydrophobicContact CG-CB 3.52Å; S395-E398 PolarHBondContact N-OE2 3.11Å; S395-E398 WeakPolarHBondContact O-CB 3.35Å; S395-E398 PolarHBondContact O-N 2.87Å; S395-E398 VanDerWaalsContact O-N 3.16Å; S395-E398 VanDerWaalsContact OG-CG 3.22Å; S395-E398 WeakPolarHBondContact OG-CG 3.34Å; S395-E398 PolarHBondContact OG-N 3.25Å; S395-E398 PolarHBondContact OG-OE1 2.92Å; E398-T400 VanDerWaalsContact C-N 3.27Å; E398-T400 PolarHBondContact O-N 3.48Å; E398-F401 PolarHBondContact O-N 3.46Å; E398-F401 VanDerWaalsContact O-N 3.12Å; E398-R402 WeakPolarHBondContact O-CB 3.39Å; E398-R402 PolarHBondContact O-N 2.78Å; E398-L417 HydrophobicContact CG-CD2 4.32Å; E398-Y418 VanDerWaalsContact CD-CE2 3.44Å; E398-Y418 VanDerWaalsContact CD-CZ 3.49Å; E398-Y418 HydrophobicContact CG-CE1 4.43Å; E398-Y418 HydrophobicContact CG-CE2 3.99Å; E398-Y418 WeakPolarHBondContact CG-OH 3.32Å; E398-Y418 WeakPolarHBondContact OE1-CE2 3.37Å; E398-Y418 PolarHBondContact OE1-OH 3.46Å; E398-L493 HydrophobicContact CG-CD2 3.97Å
399R90.1Very high85.2Confident55 Ų5541.3 Ų41.321%0.20822%0.221CC..Hα-helixtrans-56.4-44.2178.9-171.7164.566.6-132.98.3112.2E394 S395 F401 R402 N403E394-R399 HydrophobicContact CG-CB 4.21Å; E394-R399 VanDerWaalsContact OE1-CA 3.27Å; E394-R399 WeakPolarHBondContact OE1-CA 3.49Å; E394-R399 PolarHBondContact OE1-N 3.43Å; E394-R399 WeakPolarHBondContact OE2-CA 3.47Å; E394-R399 WeakPolarHBondContact OE2-CB 3.39Å; E394-R399 WeakPolarHBondContact OE2-CG 3.33Å; S395-R399 PolarHBondContact O-N 3.34Å; R399-F401 PolarHBondContact O-N 3Å; R399-R402 PolarHBondContact O-N 2.82Å; R399-N403 VanDerWaalsContact O-CB 3.31Å; R399-N403 WeakPolarHBondContact O-CB 3.08Å; R399-N403 VanDerWaalsContact O-CG 3.23Å; R399-N403 PolarHBondContact O-N 3.28Å
400T91.9Very high86.2Confident6 Ų635.8 Ų35.84%0.03719%0.191CC..Hα-helixtrans-60-46.6178.8-63.70000111.2K396 E397 E398 W404 M612K396-T400 WeakPolarHBondContact O-CB 3.27Å; K396-T400 PolarHBondContact O-N 2.92Å; K396-T400 VanDerWaalsContact O-N 3.17Å; K396-T400 PolarHBondContact O-OG1 2.63Å; E397-T400 WeakPolarHBondContact O-CB 3.43Å; E397-T400 PolarHBondContact O-N 3Å; E398-T400 VanDerWaalsContact C-N 3.27Å; E398-T400 PolarHBondContact O-N 3.48Å; T400-W404 WeakPolarHBondContact O-CB 3.23Å; T400-W404 PolarHBondContact O-N 2.96Å; T400-M612 HydrophobicContact CG2-CE 3.44Å; T400-M612 VanDerWaalsContact CG2-CE 3.44Å; T400-M612 HydrophobicContact CG2-SD 4.25Å
401F94.9Very high87Confident1 Ų138.7 Ų38.70%0.00421%0.208CC..Hα-helixtrans-69.2-42.1179.4-71.8-39.9000112.6E397 E398 R399 W404 M405 L417 L493 V496 W497 M500E397-F401 HydrophobicContact CG-CD2 3.92Å; E397-F401 HydrophobicContact CG-CE2 3.35Å; E397-F401 HydrophobicContact CG-CZ 3.94Å; E397-F401 VanDerWaalsContact O-CD2 3.29Å; E397-F401 WeakPolarHBondContact O-CD2 3.37Å; E397-F401 PolarHBondContact O-N 2.97Å; E398-F401 PolarHBondContact O-N 3.46Å; E398-F401 VanDerWaalsContact O-N 3.12Å; R399-F401 PolarHBondContact O-N 3Å; F401-W404 WeakPolarHBondContact O-CB 3.46Å; F401-W404 PolarHBondContact O-N 3.17Å; F401-M405 WeakPolarHBondContact O-CG 3.47Å; F401-M405 PolarHBondContact O-N 3.23Å; F401-L417 HydrophobicContact CB-CD2 4.42Å; F401-L493 HydrophobicContact CD2-CD2 3.47Å; F401-L493 VanDerWaalsContact CD2-CD2 3.47Å; F401-L493 HydrophobicContact CE2-CB 4.42Å; F401-L493 HydrophobicContact CE2-CD2 3.79Å; F401-V496 HydrophobicContact CB-CG1 3.7Å; F401-V496 HydrophobicContact CD1-CG1 3.87Å; F401-V496 HydrophobicContact CD2-CG1 4.15Å; F401-V496 HydrophobicContact CG-CB 4.48Å; F401-V496 HydrophobicContact CG-CG1 3.65Å; F401-W497 HydrophobicContact CE1-CB 4.39Å; F401-W497 HydrophobicContact CE1-CE3 4.23Å; F401-W497 HydrophobicContact CE2-CB 4.48Å; F401-W497 HydrophobicContact CZ-CB 3.78Å; F401-W497 HydrophobicContact CZ-CE3 4.2Å; F401-M500 HydrophobicContact CD1-SD 3.89Å; F401-M500 HydrophobicContact CE1-CB 4.41Å; F401-M500 HydrophobicContact CE1-SD 3.66Å
402R94.7Very high88.1Confident36 Ų3641.2 Ų41.214%0.13623%0.225CC..Hα-helixtrans-58-49.9174.6179.3173.15984.1-2.5111.2E394 E398 R399 W404 M405 N406 I414 N415E394-R402 IonicContact OE1-CZ 2.77Å; E394-R402 IonicContact OE1-NE 3.68Å; E394-R402 PolarHBondContact OE1-NE 3.08Å; E394-R402 IonicContact OE1-NH2 3.61Å; E394-R402 PolarHBondContact OE1-NH2 3.16Å; E394-R402 IonicContact OE2-CZ 3.17Å; E394-R402 IonicContact OE2-NE 3.43Å; E394-R402 IonicContact OE2-NH2 3.51Å; E394-R402 PolarHBondContact OE2-NH2 3.11Å; E398-R402 WeakPolarHBondContact O-CB 3.39Å; E398-R402 PolarHBondContact O-N 2.78Å; R399-R402 PolarHBondContact O-N 2.82Å; R402-W404 VanDerWaalsContact C-N 3.34Å; R402-W404 PolarHBondContact O-N 3.41Å; R402-M405 PolarHBondContact O-N 3.47Å; R402-N406 WeakPolarHBondContact O-CB 3.22Å; R402-N406 PolarHBondContact O-N 3.21Å; R402-N406 PolarHBondContact O-ND2 3.15Å; R402-I414 WeakPolarHBondContact CD-O 3.28Å; R402-I414 HydrophobicContact CG-CB 4.1Å; R402-I414 HydrophobicContact CG-CG2 3.86Å; R402-I414 WeakPolarHBondContact CG-O 3.48Å; R402-N415 WeakPolarHBondContact CD-O 3.34Å
403N93.8Very high88.9Confident17 Ų1737.2 Ų37.29%0.09120%0.203CC..Hα-helixtrans-62.7-40.7177.8-71.9-5000112A205 R399 S407A205-N403 VanDerWaalsContact O-CB 3.32Å; A205-N403 WeakPolarHBondContact O-CB 3.32Å; A205-N403 PolarHBondContact O-ND2 3.43Å; R399-N403 VanDerWaalsContact O-CB 3.31Å; R399-N403 WeakPolarHBondContact O-CB 3.08Å; R399-N403 VanDerWaalsContact O-CG 3.23Å; R399-N403 PolarHBondContact O-N 3.28Å; N403-S407 VanDerWaalsContact O-CB 3.23Å; N403-S407 WeakPolarHBondContact O-CB 3.44Å; N403-S407 PolarHBondContact O-N 3.3Å; N403-S407 PolarHBondContact O-OG 3.01Å
404W94.3Very high89.9Confident2 Ų235.3 Ų35.31%0.00818%0.183CC..Hα-helixtrans-57.3-52173.4168.562.6000111.2T400 F401 R402 S407 L408 L430 V496 L499 M500 Y503 Y599T400-W404 WeakPolarHBondContact O-CB 3.23Å; T400-W404 PolarHBondContact O-N 2.96Å; F401-W404 WeakPolarHBondContact O-CB 3.46Å; F401-W404 PolarHBondContact O-N 3.17Å; R402-W404 VanDerWaalsContact C-N 3.34Å; R402-W404 PolarHBondContact O-N 3.41Å; W404-S407 PolarHBondContact O-N 3.12Å; W404-S407 PolarHBondContact O-OG 3.2Å; W404-L408 HydrophobicContact CD2-CD1 4.5Å; W404-L408 HydrophobicContact CH2-CD1 4.49Å; W404-L408 HydrophobicContact CZ2-CD1 3.72Å; W404-L408 WeakPolarHBondContact O-CG 3.31Å; W404-L408 PolarHBondContact O-N 3.09Å; W404-L430 HydrophobicContact CH2-CD1 4.45Å; W404-L430 HydrophobicContact CH2-CD2 4.23Å; W404-L430 HydrophobicContact CZ3-CD1 4.31Å; W404-V496 HydrophobicContact CE3-CG1 4.29Å; W404-V496 HydrophobicContact CZ3-CG1 4Å; W404-L499 HydrophobicContact CH2-CB 3.93Å; W404-L499 HydrophobicContact CZ3-CB 4.35Å; W404-M500 HydrophobicContact CD2-CB 4.07Å; W404-M500 HydrophobicContact CD2-CG 3.84Å; W404-M500 HydrophobicContact CD2-SD 4.49Å; W404-M500 HydrophobicContact CE3-CB 3.92Å; W404-M500 HydrophobicContact CE3-CG 4.17Å; W404-M500 HydrophobicContact CG-CE 4.38Å; W404-M500 HydrophobicContact CG-CG 4.26Å; W404-M500 HydrophobicContact CH2-CB 3.89Å; W404-M500 HydrophobicContact CZ2-CB 4Å; W404-M500 HydrophobicContact CZ2-CG 4.24Å; W404-M500 HydrophobicContact CZ3-CB 3.84Å; W404-Y503 HydrophobicContact CZ2-CD1 4.39Å; W404-Y503 HydrophobicContact CZ2-CG 4.1Å; W404-Y503 AromaticContact NE1-CD1 3.84Å; W404-Y599 HydrophobicContact CB-CD1 4Å; W404-Y599 HydrophobicContact CB-CE1 4.11Å; W404-Y599 HydrophobicContact CB-CG 4.24Å; W404-Y599 AromaticContact CD1-CE2 3.68Å; W404-Y599 AromaticContact CD1-CZ 3.77Å
405M94.9Very high90.2Very high0 Ų035.2 Ų35.20%018%0.184CC..Hα-helixtrans-62.6-48.1-179-65.7164.771.300112F401 R402 S407 L408 V410 I414 L417 L421 V426 L430 V496F401-M405 WeakPolarHBondContact O-CG 3.47Å; F401-M405 PolarHBondContact O-N 3.23Å; R402-M405 PolarHBondContact O-N 3.47Å; M405-S407 VanDerWaalsContact C-N 3.28Å; M405-S407 PolarHBondContact O-N 3.23Å; M405-L408 WeakPolarHBondContact O-CB 3.24Å; M405-L408 PolarHBondContact O-N 3.1Å; M405-L408 VanDerWaalsContact O-N 3.09Å; M405-V410 HydrophobicContact CB-CG2 4.4Å; M405-V410 WeakPolarHBondContact O-CG2 3.35Å; M405-I414 HydrophobicContact CB-CD1 3.52Å; M405-I414 HydrophobicContact CE-CD1 3.26Å; M405-I414 HydrophobicContact CG-CD1 4.23Å; M405-I414 HydrophobicContact SD-CD1 3.82Å; M405-L417 HydrophobicContact CE-CD1 4.29Å; M405-L417 HydrophobicContact SD-CD1 3.73Å; M405-L421 HydrophobicContact CE-CD1 3.9Å; M405-L421 HydrophobicContact CE-CD2 3.4Å; M405-L421 VanDerWaalsContact CE-CD2 3.4Å; M405-L421 HydrophobicContact CE-CG 4.15Å; M405-V426 HydrophobicContact CE-CG1 3.52Å; M405-L430 HydrophobicContact CE-CD1 3.48Å; M405-L430 VanDerWaalsContact CE-CD1 3.48Å; M405-L430 HydrophobicContact CG-CD1 3.87Å; M405-L430 HydrophobicContact CG-CD2 4.29Å; M405-L430 HydrophobicContact SD-CD1 4.16Å; M405-V496 HydrophobicContact SD-CG1 3.81Å; M405-V496 HydrophobicContact SD-CG2 4.43Å
406N93Very high90.4Very high1 Ų135.4 Ų35.41%0.00518%0.18CC..Hα-helixtrans-62-35.7178.1-74.3-23.7000112.4T209 R402 L408 G409 Y413 I414T209-N406 PolarHBondContact OG1-O 3.04Å; T209-N406 VanDerWaalsContact OG1-O 3.04Å; R402-N406 WeakPolarHBondContact O-CB 3.22Å; R402-N406 PolarHBondContact O-N 3.21Å; R402-N406 PolarHBondContact O-ND2 3.15Å; N406-L408 PolarHBondContact O-N 2.87Å; N406-G409 PolarHBondContact O-N 3.01Å; N406-Y413 HydrophobicContact CB-CD2 4.23Å; N406-Y413 HydrophobicContact CB-CE2 3.68Å; N406-Y413 VanDerWaalsContact CG-CE2 3.5Å; N406-Y413 WeakPolarHBondContact ND2-CE1 3.45Å; N406-Y413 PolarHBondContact ND2-OH 3.11Å; N406-I414 PolarHBondContact ND2-O 3.21Å; N406-I414 WeakPolarHBondContact OD1-CB 3.21Å; N406-I414 PolarHBondContact OD1-N 3.45Å
407S89.4Confident90.8Very high3 Ų331.6 Ų31.62%0.02116%0.164CC..Hα-helixtrans-66.1-22.617777.30000114S204 C208 V211 N403 W404 M405 G409 Y599S204-S407 VanDerWaalsContact O-CB 3.3Å; S204-S407 WeakPolarHBondContact O-CB 3.28Å; S204-S407 VanDerWaalsContact OG-CB 3.28Å; S204-S407 WeakPolarHBondContact OG-CB 3.48Å; S204-S407 PolarHBondContact OG-OG 3.06Å; C208-S407 WeakPolarHBondContact O-CA 3.16Å; V211-S407 WeakPolarHBondContact CG2-O 3.09Å; N403-S407 VanDerWaalsContact O-CB 3.23Å; N403-S407 WeakPolarHBondContact O-CB 3.44Å; N403-S407 PolarHBondContact O-N 3.3Å; N403-S407 PolarHBondContact O-OG 3.01Å; W404-S407 PolarHBondContact O-N 3.12Å; W404-S407 PolarHBondContact O-OG 3.2Å; M405-S407 VanDerWaalsContact C-N 3.28Å; M405-S407 PolarHBondContact O-N 3.23Å; S407-G409 VanDerWaalsContact C-N 3.26Å; S407-Y599 WeakPolarHBondContact OG-CE1 3.26Å; S407-Y599 PolarHBondContact OG-OH 3.39Å
408L88.1Confident91.1Very high21 Ų2130.8 Ų30.811%0.1116%0.158CC..THydrogen-bonded Turntrans-80.3-5.3173.5-60.7176.7000113.1W404 M405 N406 L430 M433 Y503W404-L408 HydrophobicContact CD2-CD1 4.5Å; W404-L408 HydrophobicContact CH2-CD1 4.49Å; W404-L408 HydrophobicContact CZ2-CD1 3.72Å; W404-L408 WeakPolarHBondContact O-CG 3.31Å; W404-L408 PolarHBondContact O-N 3.09Å; M405-L408 WeakPolarHBondContact O-CB 3.24Å; M405-L408 PolarHBondContact O-N 3.1Å; M405-L408 VanDerWaalsContact O-N 3.09Å; N406-L408 PolarHBondContact O-N 2.87Å; L408-L430 HydrophobicContact CD1-CD2 3.87Å; L408-M433 HydrophobicContact CB-CE 3.94Å; L408-M433 HydrophobicContact CB-SD 3.6Å; L408-M433 VanDerWaalsContact CB-SD 3.6Å; L408-M433 HydrophobicContact CD1-SD 3.77Å; L408-M433 HydrophobicContact CG-SD 4.24Å; L408-M433 VanDerWaalsContact O-CE 3.31Å; L408-M433 WeakPolarHBondContact O-CE 3.25Å; L408-Y503 HydrophobicContact CD1-CE2 4.49Å; L408-Y503 HydrophobicContact CD2-CE1 4.3Å; L408-Y503 HydrophobicContact CD2-CE2 4Å; L408-Y503 WeakPolarHBondContact CD2-OH 3.44Å
409G87.3Confident91.1Very high35 Ų3530.3 Ų30.336%0.36116%0.159SC..THydrogen-bonded Turntrans77.735.4177.200000113.8N406 S407N406-G409 PolarHBondContact O-N 3.01Å; S407-G409 VanDerWaalsContact C-N 3.26Å
410V88Confident91.3Very high11 Ų1129.6 Ų29.67%0.06716%0.159CC..  trans-63.5151.8172.6-620000111.5M405 I414 V426 L430 M433M405-V410 HydrophobicContact CB-CG2 4.4Å; M405-V410 WeakPolarHBondContact O-CG2 3.35Å; V410-I414 HydrophobicContact CG2-CD1 4.01Å; V410-I414 HydrophobicContact CG2-CG1 4.07Å; V410-V426 HydrophobicContact CB-CG1 3.99Å; V410-V426 HydrophobicContact CG1-CG1 4.06Å; V410-V426 HydrophobicContact CG2-CG1 4.09Å; V410-L430 HydrophobicContact CG1-CD2 3.85Å; V410-L430 HydrophobicContact CG1-CG 4.35Å; V410-M433 HydrophobicContact CG1-CE 4.03Å
411N85.6Confident91.6Very high122 Ų12229.5 Ų29.565%0.65216%0.158SC*.SBendtrans-135.5123.6179.7179.636.7000111Q429N411-Q429 PolarHBondContact O-NE2 3.16Å; N411-Q429 PolarHBondContact O-OE1 2.8Å
412P88.6Confident91.6Very high71 Ų7130.5 Ų30.546%0.46117%0.165SC..SBendcis-67.9162.93.630-36.1000113.6
413Y87.5Confident91.7Very high87 Ų8730 Ų3034%0.34117%0.165SC..  trans-63.5137.9170.2-171.5-89.8000109.4N406N406-Y413 HydrophobicContact CB-CD2 4.23Å; N406-Y413 HydrophobicContact CB-CE2 3.68Å; N406-Y413 VanDerWaalsContact CG-CE2 3.5Å; N406-Y413 WeakPolarHBondContact ND2-CE1 3.45Å; N406-Y413 PolarHBondContact ND2-OH 3.11Å
414I93.3Very high91.9Very high0 Ų029.2 Ų29.20%016%0.16CC..  trans-90.5115.5-178.1-52172.4000108.7R402 M405 N406 V410 L417 D420 V426R402-I414 WeakPolarHBondContact CD-O 3.28Å; R402-I414 HydrophobicContact CG-CB 4.1Å; R402-I414 HydrophobicContact CG-CG2 3.86Å; R402-I414 WeakPolarHBondContact CG-O 3.48Å; M405-I414 HydrophobicContact CB-CD1 3.52Å; M405-I414 HydrophobicContact CE-CD1 3.26Å; M405-I414 HydrophobicContact CG-CD1 4.23Å; M405-I414 HydrophobicContact SD-CD1 3.82Å; N406-I414 PolarHBondContact ND2-O 3.21Å; N406-I414 WeakPolarHBondContact OD1-CB 3.21Å; N406-I414 PolarHBondContact OD1-N 3.45Å; V410-I414 HydrophobicContact CG2-CD1 4.01Å; V410-I414 HydrophobicContact CG2-CG1 4.07Å; I414-L417 HydrophobicContact CG2-CD1 4.47Å; I414-D420 WeakPolarHBondContact CA-OD2 3.42Å; I414-D420 HydrophobicContact CG2-CB 4.11Å; I414-V426 HydrophobicContact CD1-CG1 3.86Å; I414-V426 HydrophobicContact CG1-CG1 4.37Å
415N90.3Very high92.1Very high40 Ų4030 Ų3021%0.21417%0.165CC..SBendtrans-92.8-44.1169.2-59.5-64.4000109.8S267 R402 D420S267-N415 WeakPolarHBondContact CB-ND2 3.22Å; R402-N415 WeakPolarHBondContact CD-O 3.34Å; N415-D420 PolarHBondContact N-OD2 3.18Å
416H91Very high92.2Very high48 Ų4830 Ų3022%0.22217%0.165CC..  trans-131.9107.2-172.2-62.8-60.6000109.9M264 L266 Y418 S419 D420M264-H416 PolarHBondContact O-CD2 3.23Å; M264-H416 VanDerWaalsContact O-CD2 3.31Å; M264-H416 PolarHBondContact O-CE1 2.92Å; M264-H416 VanDerWaalsContact O-CE1 3.25Å; M264-H416 PolarHBondContact O-NE2 3.42Å; L266-H416 PolarHBondContact O-NE2 3.24Å; H416-Y418 VanDerWaalsContact C-N 3.26Å; H416-Y418 PolarHBondContact O-N 3.26Å; H416-Y418 VanDerWaalsContact O-N 3.13Å; H416-S419 WeakPolarHBondContact CB-OG 3.48Å; H416-S419 PolarHBondContact O-N 3.06Å; H416-S419 PolarHBondContact O-OG 3.46Å; H416-D420 PolarHBondContact N-OD2 3.12Å; H416-D420 VanDerWaalsContact O-CB 3.29Å; H416-D420 WeakPolarHBondContact O-CB 3.35Å; H416-D420 PolarHBondContact O-N 3.2Å
417L92.8Very high92.4Very high5 Ų530 Ų303%0.02617%0.165CC..Hα-helixtrans-53.7-41.9-169-171.568.5000113E398 F401 M405 I414 L421 L493E398-L417 HydrophobicContact CG-CD2 4.32Å; F401-L417 HydrophobicContact CB-CD2 4.42Å; M405-L417 HydrophobicContact CE-CD1 4.29Å; M405-L417 HydrophobicContact SD-CD1 3.73Å; I414-L417 HydrophobicContact CG2-CD1 4.47Å; L417-L421 HydrophobicContact CD1-CD1 3.51Å; L417-L421 HydrophobicContact CD1-CG 4.33Å; L417-L421 HydrophobicContact CG-CD1 3.94Å; L417-L421 WeakPolarHBondContact O-CB 3.23Å; L417-L421 WeakPolarHBondContact O-CD1 3.4Å; L417-L421 VanDerWaalsContact O-CG 3.28Å; L417-L421 WeakPolarHBondContact O-CG 3.45Å; L417-L421 PolarHBondContact O-N 2.82Å; L417-L493 HydrophobicContact CD2-CD2 3.72Å
418Y92.4Very high92.8Very high52 Ų5229.9 Ų29.920%0.20416%0.164CC..Hα-helixtrans-82.5-21.3-172.7-54.6-44.2000114.5E398 H416 T422 G487 S489 T492 L493E398-Y418 VanDerWaalsContact CD-CE2 3.44Å; E398-Y418 VanDerWaalsContact CD-CZ 3.49Å; E398-Y418 HydrophobicContact CG-CE1 4.43Å; E398-Y418 HydrophobicContact CG-CE2 3.99Å; E398-Y418 WeakPolarHBondContact CG-OH 3.32Å; E398-Y418 WeakPolarHBondContact OE1-CE2 3.37Å; E398-Y418 PolarHBondContact OE1-OH 3.46Å; H416-Y418 VanDerWaalsContact C-N 3.26Å; H416-Y418 PolarHBondContact O-N 3.26Å; H416-Y418 VanDerWaalsContact O-N 3.13Å; Y418-T422 WeakPolarHBondContact O-CG2 3.48Å; Y418-G487 WeakPolarHBondContact O-CA 3.35Å; Y418-S489 VanDerWaalsContact CE1-CA 3.41Å; Y418-S489 WeakPolarHBondContact OH-CB 3.31Å; Y418-T492 HydrophobicContact CD1-CG2 4.11Å; Y418-T492 HydrophobicContact CE1-CG2 4.38Å; Y418-L493 HydrophobicContact CE1-CD2 4.38Å; Y418-L493 HydrophobicContact CE1-CG 4.16Å; Y418-L493 VanDerWaalsContact OH-CD1 3.3Å; Y418-L493 WeakPolarHBondContact OH-CD1 3.49Å; Y418-L493 WeakPolarHBondContact OH-CG 3.4Å
419S91.8Very high93.2Very high24 Ų2430.6 Ų30.617%0.16817%0.167CC..Hα-helixtrans-91.6-38.4173.657.50000112.1H416 L421 T422H416-S419 WeakPolarHBondContact CB-OG 3.48Å; H416-S419 PolarHBondContact O-N 3.06Å; H416-S419 PolarHBondContact O-OG 3.46Å; S419-L421 VanDerWaalsContact C-N 3.3Å; S419-L421 PolarHBondContact O-N 3.1Å; S419-T422 WeakPolarHBondContact O-CB 3.47Å; S419-T422 VanDerWaalsContact O-CG2 3.26Å; S419-T422 WeakPolarHBondContact O-CG2 3.45Å; S419-T422 PolarHBondContact O-N 2.84Å; S419-T422 PolarHBondContact O-OG1 3.35Å
420D94.4Very high93.7Very high39 Ų3929 Ų2921%0.20915%0.15CC..Hα-helixtrans-80.6-14.7-170-61.5-11.6000112.4I414 N415 H416I414-D420 WeakPolarHBondContact CA-OD2 3.42Å; I414-D420 HydrophobicContact CG2-CB 4.11Å; N415-D420 PolarHBondContact N-OD2 3.18Å; H416-D420 PolarHBondContact N-OD2 3.12Å; H416-D420 VanDerWaalsContact O-CB 3.29Å; H416-D420 WeakPolarHBondContact O-CB 3.35Å; H416-D420 PolarHBondContact O-N 3.2Å
421L96.9Very high94.1Very high4 Ų428.5 Ų28.52%0.02115%0.147CC..THydrogen-bonded Turntrans-93.8-2.9174.4-67.3176.7000114.4M405 L417 S419 D423 A424 V426 I427 T492 V496M405-L421 HydrophobicContact CE-CD1 3.9Å; M405-L421 HydrophobicContact CE-CD2 3.4Å; M405-L421 VanDerWaalsContact CE-CD2 3.4Å; M405-L421 HydrophobicContact CE-CG 4.15Å; L417-L421 HydrophobicContact CD1-CD1 3.51Å; L417-L421 HydrophobicContact CD1-CG 4.33Å; L417-L421 HydrophobicContact CG-CD1 3.94Å; L417-L421 WeakPolarHBondContact O-CB 3.23Å; L417-L421 WeakPolarHBondContact O-CD1 3.4Å; L417-L421 VanDerWaalsContact O-CG 3.28Å; L417-L421 WeakPolarHBondContact O-CG 3.45Å; L417-L421 PolarHBondContact O-N 2.82Å; S419-L421 VanDerWaalsContact C-N 3.3Å; S419-L421 PolarHBondContact O-N 3.1Å; L421-D423 PolarHBondContact O-N 3.34Å; L421-D423 VanDerWaalsContact O-N 3.11Å; L421-A424 PolarHBondContact O-N 3.4Å; L421-V426 HydrophobicContact CD2-CB 3.68Å; L421-V426 HydrophobicContact CD2-CG1 3.7Å; L421-I427 HydrophobicContact CB-CD1 4.4Å; L421-I427 HydrophobicContact CD2-CD1 4.45Å; L421-I427 HydrophobicContact CD2-CG1 3.77Å; L421-T492 HydrophobicContact CD1-CG2 3.7Å; L421-V496 HydrophobicContact CD1-CG2 3.96Å
422T96.4Very high94.5Very high23 Ų2327 Ų2714%0.14114%0.136CC..THydrogen-bonded Turntrans-67-14.3-170.258.40000115.1Y418 S419 C461 N485Y418-T422 WeakPolarHBondContact O-CG2 3.48Å; S419-T422 WeakPolarHBondContact O-CB 3.47Å; S419-T422 VanDerWaalsContact O-CG2 3.26Å; S419-T422 WeakPolarHBondContact O-CG2 3.45Å; S419-T422 PolarHBondContact O-N 2.84Å; S419-T422 PolarHBondContact O-OG1 3.35Å; T422-C461 PolarHBondContact O-SG 2.95Å; T422-N485 WeakPolarHBondContact CB-O 3.23Å; T422-N485 VanDerWaalsContact CG2-O 3.28Å; T422-N485 WeakPolarHBondContact CG2-O 3.47Å; T422-N485 PolarHBondContact O-ND2 3.39Å
423D96.3Very high94.6Very high26 Ų2626.8 Ų26.814%0.13913%0.129CC..THydrogen-bonded Turntrans-106.31.8174.672.47.9000113.9L421 L425 Y448 K457 N460L421-D423 PolarHBondContact O-N 3.34Å; L421-D423 VanDerWaalsContact O-N 3.11Å; D423-L425 PolarHBondContact O-N 3Å; D423-L425 VanDerWaalsContact O-N 3.12Å; D423-L425 WeakPolarHBondContact OD1-CB 3.49Å; D423-L425 WeakPolarHBondContact OD1-CG 3.37Å; D423-L425 PolarHBondContact OD1-N 3.28Å; D423-L425 WeakPolarHBondContact OD2-CD1 3.11Å; D423-Y448 HydrophobicContact CB-CE2 4.07Å; D423-K457 HydrophobicContact CB-CB 4.33Å; D423-K457 HydrophobicContact CB-CD 4.11Å; D423-K457 HydrophobicContact CB-CG 3.82Å; D423-N460 WeakPolarHBondContact O-CB 3.35Å; D423-N460 PolarHBondContact O-ND2 3.32Å
424A98Very high94.7Very high0 Ų022.9 Ų22.90%011%0.114CC..  trans57.79.2-178.400000116.9L421 V426 I427 F428 N460 A464L421-A424 PolarHBondContact O-N 3.4Å; A424-V426 VanDerWaalsContact C-N 3.35Å; A424-V426 PolarHBondContact O-N 2.91Å; A424-I427 HydrophobicContact CB-CB 4.28Å; A424-I427 HydrophobicContact CB-CD1 4.1Å; A424-I427 WeakPolarHBondContact O-CB 3.23Å; A424-I427 PolarHBondContact O-N 2.92Å; A424-I427 VanDerWaalsContact O-N 3.1Å; A424-F428 HydrophobicContact CB-CE2 4.14Å; A424-F428 HydrophobicContact CB-CZ 4.4Å; A424-F428 WeakPolarHBondContact O-CD2 3.38Å; A424-F428 PolarHBondContact O-N 3.05Å; A424-N460 HydrophobicContact CB-CB 4.27Å; A424-A464 HydrophobicContact CB-CB 3.86Å
425L97.4Very high94.5Very high18 Ų1830.7 Ų30.79%0.09414%0.144CC..Hα-helixtrans-63.1-40.6-178-68.7-177.7000113.2D423 I427 F428 Q429 V443 P446D423-L425 PolarHBondContact O-N 3Å; D423-L425 VanDerWaalsContact O-N 3.12Å; D423-L425 WeakPolarHBondContact OD1-CB 3.49Å; D423-L425 WeakPolarHBondContact OD1-CG 3.37Å; D423-L425 PolarHBondContact OD1-N 3.28Å; D423-L425 WeakPolarHBondContact OD2-CD1 3.11Å; L425-I427 VanDerWaalsContact C-N 3.35Å; L425-F428 HydrophobicContact CD2-CD2 4.41Å; L425-F428 PolarHBondContact O-N 2.95Å; L425-Q429 PolarHBondContact O-N 3.12Å; L425-Q429 PolarHBondContact O-NE2 3.06Å; L425-V443 HydrophobicContact CD2-CG1 3.43Å; L425-V443 VanDerWaalsContact CD2-CG1 3.43Å; L425-P446 VanDerWaalsContact CD1-CD 3.49Å; L425-P446 HydrophobicContact CD1-CG 4.17Å
426V97.1Very high94.7Very high1 Ų129.2 Ų29.21%0.00614%0.136CC..Hα-helixtrans-67.3-38.8174.1171.60000110.8M405 V410 I414 L421 A424 F428 Q429 L430M405-V426 HydrophobicContact CE-CG1 3.52Å; V410-V426 HydrophobicContact CB-CG1 3.99Å; V410-V426 HydrophobicContact CG1-CG1 4.06Å; V410-V426 HydrophobicContact CG2-CG1 4.09Å; I414-V426 HydrophobicContact CD1-CG1 3.86Å; I414-V426 HydrophobicContact CG1-CG1 4.37Å; L421-V426 HydrophobicContact CD2-CB 3.68Å; L421-V426 HydrophobicContact CD2-CG1 3.7Å; A424-V426 VanDerWaalsContact C-N 3.35Å; A424-V426 PolarHBondContact O-N 2.91Å; V426-F428 VanDerWaalsContact C-N 3.28Å; V426-F428 PolarHBondContact O-N 3.15Å; V426-Q429 WeakPolarHBondContact O-CB 3.21Å; V426-Q429 PolarHBondContact O-N 3.26Å; V426-Q429 VanDerWaalsContact O-N 3.14Å; V426-L430 HydrophobicContact CG1-CD1 4.46Å; V426-L430 WeakPolarHBondContact O-CG 3.41Å; V426-L430 PolarHBondContact O-N 3.45Å
427I98.3Very high94.8Very high1 Ų132 Ų321%0.00516%0.159CC..Hα-helixtrans-60.6-39.6177.4-59.2175.6000110.6L421 A424 L425 L430 Y431 A464 L484 L495 L499L421-I427 HydrophobicContact CB-CD1 4.4Å; L421-I427 HydrophobicContact CD2-CD1 4.45Å; L421-I427 HydrophobicContact CD2-CG1 3.77Å; A424-I427 HydrophobicContact CB-CB 4.28Å; A424-I427 HydrophobicContact CB-CD1 4.1Å; A424-I427 WeakPolarHBondContact O-CB 3.23Å; A424-I427 PolarHBondContact O-N 2.92Å; A424-I427 VanDerWaalsContact O-N 3.1Å; L425-I427 VanDerWaalsContact C-N 3.35Å; I427-L430 PolarHBondContact O-N 3.22Å; I427-Y431 HydrophobicContact CG2-CD2 3.93Å; I427-Y431 HydrophobicContact CG2-CE2 3.55Å; I427-Y431 VanDerWaalsContact O-CD2 3.27Å; I427-Y431 WeakPolarHBondContact O-CD2 3.36Å; I427-Y431 PolarHBondContact O-N 2.82Å; I427-A464 HydrophobicContact CG2-CB 4.03Å; I427-L484 HydrophobicContact CD1-CD1 4.25Å; I427-L495 HydrophobicContact CD1-CD2 4.08Å; I427-L495 HydrophobicContact CG2-CD2 4.31Å; I427-L499 HydrophobicContact CG2-CD1 4.23Å
428F98.3Very high95Very high0 Ų032.6 Ų32.60%016%0.162CC..Hα-helixtrans-62.5-42.4174.6-67.8-49.5000113A424 L425 V426 L430 Y431 E432 V438 W440 V443 N460 Y463 A464 L467A424-F428 HydrophobicContact CB-CE2 4.14Å; A424-F428 HydrophobicContact CB-CZ 4.4Å; A424-F428 WeakPolarHBondContact O-CD2 3.38Å; A424-F428 PolarHBondContact O-N 3.05Å; L425-F428 HydrophobicContact CD2-CD2 4.41Å; L425-F428 PolarHBondContact O-N 2.95Å; V426-F428 VanDerWaalsContact C-N 3.28Å; V426-F428 PolarHBondContact O-N 3.15Å; F428-L430 VanDerWaalsContact C-N 3.3Å; F428-L430 PolarHBondContact O-N 3.22Å; F428-Y431 HydrophobicContact CD1-CD2 4.4Å; F428-Y431 WeakPolarHBondContact O-CB 3.42Å; F428-Y431 PolarHBondContact O-N 3.15Å; F428-Y431 VanDerWaalsContact O-N 3.17Å; F428-E432 PolarHBondContact O-N 3.31Å; F428-V438 HydrophobicContact CB-CG1 4.01Å; F428-V438 HydrophobicContact CB-CG2 4.17Å; F428-V438 HydrophobicContact CD1-CG1 3.67Å; F428-V438 HydrophobicContact CD1-CG2 4.14Å; F428-V438 HydrophobicContact CE1-CG1 4.39Å; F428-V438 HydrophobicContact CG-CG1 3.94Å; F428-V438 WeakPolarHBondContact O-CG2 3.43Å; F428-W440 HydrophobicContact CB-CH2 3.79Å; F428-W440 HydrophobicContact CB-CZ2 4.17Å; F428-W440 HydrophobicContact CB-CZ3 4.3Å; F428-V443 HydrophobicContact CD2-CG1 3.78Å; F428-V443 HydrophobicContact CD2-CG2 3.88Å; F428-V443 HydrophobicContact CE1-CG2 4.48Å; F428-V443 HydrophobicContact CE2-CB 4.35Å; F428-V443 HydrophobicContact CE2-CG1 3.73Å; F428-V443 HydrophobicContact CE2-CG2 3.75Å; F428-V443 HydrophobicContact CG-CG2 4.33Å; F428-V443 HydrophobicContact CZ-CG2 4.07Å; F428-N460 HydrophobicContact CE2-CB 3.91Å; F428-N460 HydrophobicContact CZ-CB 4.24Å; F428-N460 VanDerWaalsContact CZ-O 3.24Å; F428-N460 WeakPolarHBondContact CZ-O 3.29Å; F428-Y463 HydrophobicContact CD1-CD1 4.42Å; F428-Y463 AromaticContact CE1-CD1 3.4Å; F428-Y463 HydrophobicContact CE1-CD1 3.4Å; F428-Y463 VanDerWaalsContact CE1-CD1 3.4Å; F428-Y463 AromaticContact CE1-CE1 3.92Å; F428-Y463 HydrophobicContact CE1-CE1 3.92Å; F428-Y463 HydrophobicContact CE1-CG 4.12Å; F428-Y463 AromaticContact CZ-CD1 3.54Å; F428-Y463 HydrophobicContact CZ-CD1 3.54Å; F428-Y463 HydrophobicContact CZ-CE1 4.37Å; F428-Y463 HydrophobicContact CZ-CG 4.25Å; F428-A464 HydrophobicContact CE1-CB 3.88Å; F428-A464 HydrophobicContact CZ-CB 4.15Å; F428-L467 HydrophobicContact CD1-CD1 3.99Å; F428-L467 HydrophobicContact CE1-CD1 3.96Å
429Q96.4Very high95.2Very high36 Ų3633.5 Ų33.517%0.16817%0.171CC..Hα-helixtrans-60.8-42.5174.8-68.7165.853.200111.3N411 L425 V426 Y431 E432 M433 W440N411-Q429 PolarHBondContact O-NE2 3.16Å; N411-Q429 PolarHBondContact O-OE1 2.8Å; L425-Q429 PolarHBondContact O-N 3.12Å; L425-Q429 PolarHBondContact O-NE2 3.06Å; V426-Q429 WeakPolarHBondContact O-CB 3.21Å; V426-Q429 PolarHBondContact O-N 3.26Å; V426-Q429 VanDerWaalsContact O-N 3.14Å; Q429-Y431 VanDerWaalsContact C-N 3.31Å; Q429-Y431 PolarHBondContact O-N 3.24Å; Q429-E432 PolarHBondContact O-N 3.16Å; Q429-M433 WeakPolarHBondContact O-CG 3.29Å; Q429-M433 PolarHBondContact O-N 2.93Å; Q429-W440 HydrophobicContact CG-CH2 4.17Å; Q429-W440 HydrophobicContact CG-CZ2 4.44Å
430L96.3Very high95.3Very high1 Ų136 Ų361%0.00518%0.177CC..Hα-helixtrans-62.5-37.8175.8-65.3176.2000112.2W404 M405 L408 V410 V426 I427 F428 E432 M433 I434 L499W404-L430 HydrophobicContact CH2-CD1 4.45Å; W404-L430 HydrophobicContact CH2-CD2 4.23Å; W404-L430 HydrophobicContact CZ3-CD1 4.31Å; M405-L430 HydrophobicContact CE-CD1 3.48Å; M405-L430 VanDerWaalsContact CE-CD1 3.48Å; M405-L430 HydrophobicContact CG-CD1 3.87Å; M405-L430 HydrophobicContact CG-CD2 4.29Å; M405-L430 HydrophobicContact SD-CD1 4.16Å; L408-L430 HydrophobicContact CD1-CD2 3.87Å; V410-L430 HydrophobicContact CG1-CD2 3.85Å; V410-L430 HydrophobicContact CG1-CG 4.35Å; V426-L430 HydrophobicContact CG1-CD1 4.46Å; V426-L430 WeakPolarHBondContact O-CG 3.41Å; V426-L430 PolarHBondContact O-N 3.45Å; I427-L430 PolarHBondContact O-N 3.22Å; F428-L430 VanDerWaalsContact C-N 3.3Å; F428-L430 PolarHBondContact O-N 3.22Å; L430-E432 VanDerWaalsContact C-N 3.34Å; L430-E432 PolarHBondContact O-N 3.38Å; L430-M433 HydrophobicContact CD2-SD 3.92Å; L430-M433 WeakPolarHBondContact O-CB 3.36Å; L430-M433 PolarHBondContact O-N 3.46Å; L430-I434 WeakPolarHBondContact O-CG1 3.28Å; L430-I434 PolarHBondContact O-N 3.29Å; L430-L499 HydrophobicContact CB-CD1 4.29Å; L430-L499 HydrophobicContact CD1-CD1 3.99Å
431Y96.9Very high95.4Very high0 Ų038.8 Ų38.80%020%0.199CC..Hα-helixtrans-57.9-45.2173.7-83.9-56.4000111.9I427 F428 Q429 M433 I434 R435 V436 A464 L467 G468 A472 F474 L499I427-Y431 HydrophobicContact CG2-CD2 3.93Å; I427-Y431 HydrophobicContact CG2-CE2 3.55Å; I427-Y431 VanDerWaalsContact O-CD2 3.27Å; I427-Y431 WeakPolarHBondContact O-CD2 3.36Å; I427-Y431 PolarHBondContact O-N 2.82Å; F428-Y431 HydrophobicContact CD1-CD2 4.4Å; F428-Y431 WeakPolarHBondContact O-CB 3.42Å; F428-Y431 PolarHBondContact O-N 3.15Å; F428-Y431 VanDerWaalsContact O-N 3.17Å; Q429-Y431 VanDerWaalsContact C-N 3.31Å; Q429-Y431 PolarHBondContact O-N 3.24Å; Y431-M433 VanDerWaalsContact C-N 3.34Å; Y431-M433 PolarHBondContact O-N 2.96Å; Y431-I434 HydrophobicContact CD1-CD1 4.02Å; Y431-I434 HydrophobicContact CD1-CG1 4.4Å; Y431-I434 HydrophobicContact CE1-CD1 4.47Å; Y431-I434 CarbonylContact O-C 3.27Å; Y431-I434 WeakPolarHBondContact O-CG1 3.4Å; Y431-I434 PolarHBondContact O-N 3.48Å; Y431-R435 PolarHBondContact O-N 2.96Å; Y431-V436 CarbonylContact C-O 3.32Å; Y431-V436 VanDerWaalsContact C-O 3.32Å; Y431-V436 HydrophobicContact CD1-CB 3.81Å; Y431-V436 HydrophobicContact CD1-CG1 3.79Å; Y431-V436 HydrophobicContact CD1-CG2 4.16Å; Y431-V436 HydrophobicContact CG-CB 4.33Å; Y431-V436 HydrophobicContact CG-CG1 4.27Å; Y431-V436 WeakPolarHBondContact O-CA 3.43Å; Y431-V436 WeakPolarHBondContact O-CB 3.49Å; Y431-V436 PolarHBondContact O-N 3.24Å; Y431-A464 HydrophobicContact CE2-CB 4.21Å; Y431-A464 WeakPolarHBondContact CE2-O 3.45Å; Y431-A464 PolarHBondContact OH-O 2.92Å; Y431-L467 HydrophobicContact CD2-CB 4.33Å; Y431-L467 HydrophobicContact CD2-CD1 4.06Å; Y431-L467 HydrophobicContact CE1-CB 4.37Å; Y431-L467 HydrophobicContact CE2-CB 4Å; Y431-L467 HydrophobicContact CE2-CD1 4.39Å; Y431-G468 WeakPolarHBondContact OH-CA 3.42Å; Y431-G468 PolarHBondContact OH-N 3.35Å; Y431-G468 VanDerWaalsContact OH-N 3.09Å; Y431-A472 HydrophobicContact CE1-CB 4.15Å; Y431-F474 HydrophobicContact CE1-CD2 4.47Å; Y431-F474 AromaticContact CE1-CE2 3.85Å; Y431-F474 HydrophobicContact CE1-CE2 3.85Å; Y431-L499 HydrophobicContact CD1-CD2 3.91Å; Y431-L499 HydrophobicContact CE1-CD2 3.74Å; Y431-L499 HydrophobicContact CG-CD2 4.48Å
432E93.8Very high95.2Very high91 Ų9144.6 Ų44.643%0.42523%0.226SC..Hα-helixtrans-62.2-42.1176.1-65.6-173136.900111.7F428 Q429 L430 I434 R435 V438 W440F428-E432 PolarHBondContact O-N 3.31Å; Q429-E432 PolarHBondContact O-N 3.16Å; L430-E432 VanDerWaalsContact C-N 3.34Å; L430-E432 PolarHBondContact O-N 3.38Å; E432-I434 PolarHBondContact O-N 2.75Å; E432-R435 WeakPolarHBondContact O-CA 3.17Å; E432-R435 PolarHBondContact O-N 3.2Å; E432-V438 HydrophobicContact CG-CB 4.29Å; E432-V438 HydrophobicContact CG-CG2 3.96Å; E432-W440 PolarHBondContact OE1-NE1 3.21Å
433M90.1Very high95.2Very high66 Ų6644 Ų4433%0.32522%0.222SC..Hα-helixtrans-61.8-28.6176.7-66.1172.2-179.500113L408 V410 Q429 L430 Y431 R435L408-M433 HydrophobicContact CB-CE 3.94Å; L408-M433 HydrophobicContact CB-SD 3.6Å; L408-M433 VanDerWaalsContact CB-SD 3.6Å; L408-M433 HydrophobicContact CD1-SD 3.77Å; L408-M433 HydrophobicContact CG-SD 4.24Å; L408-M433 VanDerWaalsContact O-CE 3.31Å; L408-M433 WeakPolarHBondContact O-CE 3.25Å; V410-M433 HydrophobicContact CG1-CE 4.03Å; Q429-M433 WeakPolarHBondContact O-CG 3.29Å; Q429-M433 PolarHBondContact O-N 2.93Å; L430-M433 HydrophobicContact CD2-SD 3.92Å; L430-M433 WeakPolarHBondContact O-CB 3.36Å; L430-M433 PolarHBondContact O-N 3.46Å; Y431-M433 VanDerWaalsContact C-N 3.34Å; Y431-M433 PolarHBondContact O-N 2.96Å; M433-R435 VanDerWaalsContact C-N 3.35Å
434I90.4Very high95.2Very high5 Ų544.5 Ų44.53%0.02623%0.225CC..THydrogen-bonded Turntrans-95.718.5173.167.1162.7000113.7L430 Y431 E432 V436 F474 L499 R502 Y503 N506L430-I434 WeakPolarHBondContact O-CG1 3.28Å; L430-I434 PolarHBondContact O-N 3.29Å; Y431-I434 HydrophobicContact CD1-CD1 4.02Å; Y431-I434 HydrophobicContact CD1-CG1 4.4Å; Y431-I434 HydrophobicContact CE1-CD1 4.47Å; Y431-I434 CarbonylContact O-C 3.27Å; Y431-I434 WeakPolarHBondContact O-CG1 3.4Å; Y431-I434 PolarHBondContact O-N 3.48Å; E432-I434 PolarHBondContact O-N 2.75Å; I434-V436 VanDerWaalsContact C-N 3.31Å; I434-V436 HydrophobicContact CD1-CG2 4Å; I434-V436 HydrophobicContact CG1-CB 4.44Å; I434-V436 HydrophobicContact CG1-CG2 3.97Å; I434-V436 PolarHBondContact O-N 3.04Å; I434-F474 HydrophobicContact CD1-CE2 4.42Å; I434-F474 HydrophobicContact CD1-CZ 3.75Å; I434-L499 HydrophobicContact CD1-CD2 3.6Å; I434-L499 HydrophobicContact CG1-CD2 4.47Å; I434-R502 HydrophobicContact CB-CG 4.1Å; I434-R502 HydrophobicContact CD1-CB 4.13Å; I434-R502 HydrophobicContact CD1-CG 3.85Å; I434-Y503 HydrophobicContact CG2-CD2 4.09Å; I434-Y503 HydrophobicContact CG2-CG 4.37Å; I434-N506 PolarHBondContact O-ND2 3.05Å
435R90Very high94.9Very high165 Ų16550.8 Ų50.862%0.62325%0.252SS*.THydrogen-bonded Turntrans60.834.2177.3-54.1-179.4179.4156.85.3114Y431 E432 M433 D510Y431-R435 PolarHBondContact O-N 2.96Å; E432-R435 WeakPolarHBondContact O-CA 3.17Å; E432-R435 PolarHBondContact O-N 3.2Å; M433-R435 VanDerWaalsContact C-N 3.35Å; R435-D510 IonicContact CZ-OD1 3.18Å; R435-D510 IonicContact CZ-OD2 2.86Å; R435-D510 IonicContact NH1-OD1 2.57Å; R435-D510 PolarHBondContact NH1-OD1 3.36Å; R435-D510 IonicContact NH1-OD2 3.25Å; R435-D510 PolarHBondContact NH1-OD2 3.49Å; R435-D510 IonicContact NH2-OD1 2.77Å; R435-D510 PolarHBondContact NH2-OD1 3.35Å; R435-D510 IonicContact NH2-OD2 2.88Å; R435-D510 PolarHBondContact NH2-OD2 3.34Å
436V93.6Very high94.5Very high9 Ų953.3 Ų53.36%0.05527%0.27CS..  trans-103.4110.4169.9177.30000107.7Y431 I434 V438 K471 A472Y431-V436 CarbonylContact C-O 3.32Å; Y431-V436 VanDerWaalsContact C-O 3.32Å; Y431-V436 HydrophobicContact CD1-CB 3.81Å; Y431-V436 HydrophobicContact CD1-CG1 3.79Å; Y431-V436 HydrophobicContact CD1-CG2 4.16Å; Y431-V436 HydrophobicContact CG-CB 4.33Å; Y431-V436 HydrophobicContact CG-CG1 4.27Å; Y431-V436 WeakPolarHBondContact O-CA 3.43Å; Y431-V436 WeakPolarHBondContact O-CB 3.49Å; Y431-V436 PolarHBondContact O-N 3.24Å; I434-V436 VanDerWaalsContact C-N 3.31Å; I434-V436 HydrophobicContact CD1-CG2 4Å; I434-V436 HydrophobicContact CG1-CB 4.44Å; I434-V436 HydrophobicContact CG1-CG2 3.97Å; I434-V436 PolarHBondContact O-N 3.04Å; V436-V438 PolarHBondContact O-N 3.05Å; V436-K471 HydrophobicContact CG1-CB 3.85Å; V436-A472 HydrophobicContact CG2-CB 3.95Å
437P93.6Very high94.2Very high107 Ų10759.2 Ų59.270%0.69531%0.308SS*.  trans-62134.7-177.7-23.233.3000112.3
438V96Very high93.8Very high16 Ų1661.3 Ų61.310%0.09732%0.316CS..  trans-109.2132.4174.2-1790000109.6F428 E432 V436 W440 V443 Y463 L467F428-V438 HydrophobicContact CB-CG1 4.01Å; F428-V438 HydrophobicContact CB-CG2 4.17Å; F428-V438 HydrophobicContact CD1-CG1 3.67Å; F428-V438 HydrophobicContact CD1-CG2 4.14Å; F428-V438 HydrophobicContact CE1-CG1 4.39Å; F428-V438 HydrophobicContact CG-CG1 3.94Å; F428-V438 WeakPolarHBondContact O-CG2 3.43Å; E432-V438 HydrophobicContact CG-CB 4.29Å; E432-V438 HydrophobicContact CG-CG2 3.96Å; V436-V438 PolarHBondContact O-N 3.05Å; V438-W440 HydrophobicContact CG1-CD2 4.38Å; V438-W440 PolarHBondContact O-N 2.91Å; V438-V443 HydrophobicContact CG1-CG2 4.04Å; V438-Y463 HydrophobicContact CG1-CE1 4.07Å; V438-L467 HydrophobicContact CG1-CD1 4.46Å; V438-L467 HydrophobicContact CG2-CD1 3.98Å
439N96.4Very high93.3Very high71 Ų7165.2 Ų65.238%0.3834%0.341SS..  trans-88.291.9171.8-171.3-4000110.7S441 H442 Y463N439-S441 VanDerWaalsContact CG-OG 3.27Å; N439-S441 PolarHBondContact ND2-OG 3.33Å; N439-S441 PolarHBondContact O-N 3.44Å; N439-S441 VanDerWaalsContact O-N 3.09Å; N439-S441 WeakPolarHBondContact OD1-CB 3.45Å; N439-S441 PolarHBondContact OD1-N 2.9Å; N439-S441 PolarHBondContact OD1-OG 3.4Å; N439-H442 PolarHBondContact ND2-CE1 3.32Å; N439-H442 PolarHBondContact ND2-ND1 2.92Å; N439-H442 PolarHBondContact O-N 3.3Å; N439-Y463 WeakPolarHBondContact CB-OH 3.34Å; N439-Y463 PolarHBondContact N-OH 3.16Å
440W95.4Very high92.8Very high78 Ų7869 Ų6930%0.29538%0.378SS..G310 helixtrans-62-17-178.5-70100000115.2F428 Q429 E432 V438 H442 V443F428-W440 HydrophobicContact CB-CH2 3.79Å; F428-W440 HydrophobicContact CB-CZ2 4.17Å; F428-W440 HydrophobicContact CB-CZ3 4.3Å; Q429-W440 HydrophobicContact CG-CH2 4.17Å; Q429-W440 HydrophobicContact CG-CZ2 4.44Å; E432-W440 PolarHBondContact OE1-NE1 3.21Å; V438-W440 HydrophobicContact CG1-CD2 4.38Å; V438-W440 PolarHBondContact O-N 2.91Å; W440-H442 PolarHBondContact O-N 3.44Å; W440-V443 HydrophobicContact CE3-CB 4.01Å; W440-V443 HydrophobicContact CE3-CG1 4Å; W440-V443 HydrophobicContact CE3-CG2 4.07Å; W440-V443 HydrophobicContact CZ3-CG1 4.04Å; W440-V443 PolarHBondContact O-N 3.32Å
441S94.9Very high92.4Very high97 Ų9776.8 Ų76.868%0.67842%0.419SS*.G310 helixtrans-67.9-22.5172.867.90000113.1N439N439-S441 VanDerWaalsContact CG-OG 3.27Å; N439-S441 PolarHBondContact ND2-OG 3.33Å; N439-S441 PolarHBondContact O-N 3.44Å; N439-S441 VanDerWaalsContact O-N 3.09Å; N439-S441 WeakPolarHBondContact OD1-CB 3.45Å; N439-S441 PolarHBondContact OD1-N 2.9Å; N439-S441 PolarHBondContact OD1-OG 3.4Å
442H92.6Very high91.9Very high125 Ų12578.8 Ų78.858%0.57944%0.44SS*.G310 helixtrans-94-4.7177.6-68.148.6000112.5N439 W440N439-H442 PolarHBondContact ND2-CE1 3.32Å; N439-H442 PolarHBondContact ND2-ND1 2.92Å; N439-H442 PolarHBondContact O-N 3.3Å; W440-H442 PolarHBondContact O-N 3.44Å
443V96.9Very high91.8Very high12 Ų1274.7 Ų74.77%0.07342%0.422CS..  trans-92.8121.9-175.8177.30000109.9L425 F428 V438 W440 Y463L425-V443 HydrophobicContact CD2-CG1 3.43Å; L425-V443 VanDerWaalsContact CD2-CG1 3.43Å; F428-V443 HydrophobicContact CD2-CG1 3.78Å; F428-V443 HydrophobicContact CD2-CG2 3.88Å; F428-V443 HydrophobicContact CE1-CG2 4.48Å; F428-V443 HydrophobicContact CE2-CB 4.35Å; F428-V443 HydrophobicContact CE2-CG1 3.73Å; F428-V443 HydrophobicContact CE2-CG2 3.75Å; F428-V443 HydrophobicContact CG-CG2 4.33Å; F428-V443 HydrophobicContact CZ-CG2 4.07Å; V438-V443 HydrophobicContact CG1-CG2 4.04Å; W440-V443 HydrophobicContact CE3-CB 4.01Å; W440-V443 HydrophobicContact CE3-CG1 4Å; W440-V443 HydrophobicContact CE3-CG2 4.07Å; W440-V443 HydrophobicContact CZ3-CG1 4.04Å; W440-V443 PolarHBondContact O-N 3.32Å; V443-Y463 HydrophobicContact CG2-CD1 4.26Å; V443-Y463 HydrophobicContact CG2-CE1 4.2Å
444N96.1Very high92Very high35 Ų3575.8 Ų75.819%0.18743%0.429CS..  trans-78.3131.7174.9-59.7-73.4000110.6Y448 K456 E459 N460N444-Y448 HydrophobicContact CB-CE1 4.11Å; N444-Y448 PolarHBondContact O-OH 2.97Å; N444-K456 HydrophobicContact CB-CB 3.88Å; N444-K456 HydrophobicContact CB-CD 4.43Å; N444-K456 HydrophobicContact CB-CG 4.44Å; N444-K456 PolarHBondContact ND2-O 2.9Å; N444-K456 WeakPolarHBondContact OD1-CD 3.48Å; N444-K456 PolarHBondContact OD1-NZ 3.19Å; N444-E459 PolarHBondContact ND2-OE2 3.31Å; N444-N460 WeakPolarHBondContact CB-OD1 3.46Å; N444-N460 PolarHBondContact N-OD1 3.11Å; N444-N460 PolarHBondContact ND2-OD1 3.29Å; N444-N460 PolarHBondContact O-ND2 2.98Å
445K92.3Very high92.3Very high133 Ų13381.2 Ų81.258%0.57846%0.456SS*.  trans-113.6150.7-175.9-61.9-179.4-177.2179.70111.9
446P88.7Confident92.6Very high71 Ų7176.5 Ų76.546%0.46144%0.44SS..SBendtrans-66.5160.9171.827.8-36.1000112.1L425 Y448L425-P446 VanDerWaalsContact CD1-CD 3.49Å; L425-P446 HydrophobicContact CD1-CG 4.17Å; P446-Y448 HydrophobicContact CB-CD2 4.07Å; P446-Y448 HydrophobicContact CB-CE2 3.92Å; P446-Y448 HydrophobicContact CG-CE2 4.41Å
447P91.3Very high92.8Very high124 Ų12478.8 Ų78.881%0.80545%0.449SS*.SBendcis-71.9132.8-0.929.7-34.3000111.9
448Y89.9Confident93Very high45 Ų4575.8 Ų75.818%0.17643%0.427CS..PPolyproline II helixtrans-78.6139.8177.6-63.2-69.4000110.2D423 N444 P446 K456 K457 N460D423-Y448 HydrophobicContact CB-CE2 4.07Å; N444-Y448 HydrophobicContact CB-CE1 4.11Å; N444-Y448 PolarHBondContact O-OH 2.97Å; P446-Y448 HydrophobicContact CB-CD2 4.07Å; P446-Y448 HydrophobicContact CB-CE2 3.92Å; P446-Y448 HydrophobicContact CG-CE2 4.41Å; Y448-K456 HydrophobicContact CD1-CB 3.88Å; Y448-K456 HydrophobicContact CE1-CB 4.07Å; Y448-K457 HydrophobicContact CD2-CG 4.3Å; Y448-K457 HydrophobicContact CE2-CG 4.1Å; Y448-N460 PolarHBondContact OH-ND2 3.44Å
449P87.9Confident93.1Very high83 Ų8378.7 Ų78.754%0.53944%0.439SS..PPolyproline II helixtrans-61.7144174.7-21.732.8000111.6L451 G453P449-L451 WeakPolarHBondContact CB-O 3.02Å; P449-L451 PolarHBondContact O-N 2.94Å; P449-G453 WeakPolarHBondContact O-CA 3.31Å; P449-G453 PolarHBondContact O-N 3.06Å
450A86.5Confident93.2Very high114 Ų11475.3 Ų75.394%0.94242%0.421SS*.THydrogen-bonded Turntrans-56.4-40.5177.200000112
451L86.3Confident93.3Very high166 Ų16671.6 Ų71.687%0.86941%0.407SS*.THydrogen-bonded Turntrans-94.9120172-79.3149.1000110P449 G453P449-L451 WeakPolarHBondContact CB-O 3.02Å; P449-L451 PolarHBondContact O-N 2.94Å; L451-G453 VanDerWaalsContact C-N 3.32Å; L451-G453 PolarHBondContact O-N 3.34Å
452G87.8Confident93.5Very high41 Ų4170.7 Ų70.742%0.42339%0.394SS..THydrogen-bonded Turntrans84.4-3.1177.200000115.3N454 M455 K456G452-N454 VanDerWaalsContact C-N 3.28Å; G452-N454 PolarHBondContact O-N 2.81Å; G452-M455 WeakPolarHBondContact O-CB 3.4Å; G452-M455 PolarHBondContact O-N 3.13Å; G452-M455 VanDerWaalsContact O-N 3.08Å; G452-K456 PolarHBondContact O-N 3.4Å
453G91.6Very high93.8Very high5 Ų566.5 Ų66.55%0.05237%0.374CS..Hα-helixtrans-56.5-40.2174.800000113.2P449 L451 M455 K456 K457P449-G453 WeakPolarHBondContact O-CA 3.31Å; P449-G453 PolarHBondContact O-N 3.06Å; L451-G453 VanDerWaalsContact C-N 3.32Å; L451-G453 PolarHBondContact O-N 3.34Å; G453-M455 VanDerWaalsContact C-N 3.3Å; G453-M455 PolarHBondContact O-N 3.47Å; G453-K456 WeakPolarHBondContact O-CB 3.47Å; G453-K456 PolarHBondContact O-N 3.2Å; G453-K456 VanDerWaalsContact O-N 3.14Å; G453-K457 PolarHBondContact O-N 3.23Å; G453-K457 VanDerWaalsContact O-N 3.14Å
454N93.9Very high93.8Very high90 Ų9065.9 Ų65.948%0.48137%0.37SS..Hα-helixtrans-63.5-37.1176.5-159.252.7000112.6G452 K456 K457 I458 N485G452-N454 VanDerWaalsContact C-N 3.28Å; G452-N454 PolarHBondContact O-N 2.81Å; N454-K456 VanDerWaalsContact C-N 3.27Å; N454-K456 PolarHBondContact O-N 2.72Å; N454-K457 WeakPolarHBondContact O-CB 3.41Å; N454-K457 PolarHBondContact O-N 2.77Å; N454-K457 VanDerWaalsContact O-N 3.17Å; N454-I458 WeakPolarHBondContact O-CG1 3.46Å; N454-I458 PolarHBondContact O-N 3.19Å; N454-N485 PolarHBondContact ND2-OD1 3.2Å; N454-N485 PolarHBondContact OD1-ND2 2.96Å; N454-N485 PolarHBondContact OD1-OD1 3.22Å
455M95.8Very high93.9Very high118 Ų11864.6 Ų64.658%0.58136%0.363SS*.Hα-helixtrans-62.7-37.1175.8-165.8169.374.500111.3G452 G453 I458 E459G452-M455 WeakPolarHBondContact O-CB 3.4Å; G452-M455 PolarHBondContact O-N 3.13Å; G452-M455 VanDerWaalsContact O-N 3.08Å; G453-M455 VanDerWaalsContact C-N 3.3Å; G453-M455 PolarHBondContact O-N 3.47Å; M455-I458 PolarHBondContact O-N 3.08Å; M455-E459 WeakPolarHBondContact O-CG 3.3Å; M455-E459 PolarHBondContact O-N 3.18Å
456K96.9Very high94.1Very high67 Ų6762.7 Ų62.729%0.29136%0.357SS..Hα-helixtrans-64.7-38.3174.2-64.1-45.4-160.8168.70113.3N444 Y448 G452 G453 N454 E459 N460N444-K456 HydrophobicContact CB-CB 3.88Å; N444-K456 HydrophobicContact CB-CD 4.43Å; N444-K456 HydrophobicContact CB-CG 4.44Å; N444-K456 PolarHBondContact ND2-O 2.9Å; N444-K456 WeakPolarHBondContact OD1-CD 3.48Å; N444-K456 PolarHBondContact OD1-NZ 3.19Å; Y448-K456 HydrophobicContact CD1-CB 3.88Å; Y448-K456 HydrophobicContact CE1-CB 4.07Å; G452-K456 PolarHBondContact O-N 3.4Å; G453-K456 WeakPolarHBondContact O-CB 3.47Å; G453-K456 PolarHBondContact O-N 3.2Å; G453-K456 VanDerWaalsContact O-N 3.14Å; N454-K456 VanDerWaalsContact C-N 3.27Å; N454-K456 PolarHBondContact O-N 2.72Å; K456-E459 VanDerWaalsContact CD-OE2 3.26Å; K456-E459 WeakPolarHBondContact CD-OE2 3.47Å; K456-E459 IonicContact NZ-OE1 2.74Å; K456-E459 PolarHBondContact NZ-OE1 3.27Å; K456-E459 IonicContact NZ-OE2 3.39Å; K456-E459 PolarHBondContact NZ-OE2 2.96Å; K456-N460 PolarHBondContact O-N 3.39Å; K456-N460 VanDerWaalsContact O-N 3.14Å
457K97.3Very high94.6Very high57 Ų5759.5 Ų59.525%0.24834%0.336CS..Hα-helixtrans-66.5-41.7173.5-63.6-174.5177.2-171.10111.9D423 Y448 G453 N454 N460 C461 N485D423-K457 HydrophobicContact CB-CB 4.33Å; D423-K457 HydrophobicContact CB-CD 4.11Å; D423-K457 HydrophobicContact CB-CG 3.82Å; Y448-K457 HydrophobicContact CD2-CG 4.3Å; Y448-K457 HydrophobicContact CE2-CG 4.1Å; G453-K457 PolarHBondContact O-N 3.23Å; G453-K457 VanDerWaalsContact O-N 3.14Å; N454-K457 WeakPolarHBondContact O-CB 3.41Å; N454-K457 PolarHBondContact O-N 2.77Å; N454-K457 VanDerWaalsContact O-N 3.17Å; K457-N460 WeakPolarHBondContact O-CB 3.35Å; K457-N460 PolarHBondContact O-N 3.14Å; K457-C461 PolarHBondContact O-N 3.1Å; K457-C461 PolarHBondContact O-SG 2.75Å; K457-N485 WeakPolarHBondContact CB-ND2 3.49Å
458I97.8Very high94.8Very high44 Ų4453.6 Ų53.623%0.22630%0.298CS..Hα-helixtrans-64.4-41.8175.6-67.5169.8000111.3N454 M455 N460 C461 N462 N485N454-I458 WeakPolarHBondContact O-CG1 3.46Å; N454-I458 PolarHBondContact O-N 3.19Å; M455-I458 PolarHBondContact O-N 3.08Å; I458-N460 VanDerWaalsContact C-N 3.31Å; I458-N460 PolarHBondContact O-N 3.03Å; I458-C461 PolarHBondContact O-N 3.09Å; I458-N462 WeakPolarHBondContact CG2-ND2 3.39Å; I458-N462 WeakPolarHBondContact O-CB 3.07Å; I458-N462 VanDerWaalsContact O-CG 3.31Å; I458-N462 PolarHBondContact O-N 2.8Å; I458-N462 PolarHBondContact O-ND2 2.89Å; I458-N485 HydrophobicContact CG1-CB 3.9Å; I458-N485 VanDerWaalsContact CG1-OD1 3.27Å; I458-N485 WeakPolarHBondContact CG1-OD1 3.45Å
459E98.1Very high95Very high76 Ų7655.4 Ų55.436%0.35531%0.306SS..Hα-helixtrans-54.8-47.4172.8-76.8170.3-16500111N444 M455 K456 N462 Y463N444-E459 PolarHBondContact ND2-OE2 3.31Å; M455-E459 WeakPolarHBondContact O-CG 3.3Å; M455-E459 PolarHBondContact O-N 3.18Å; K456-E459 VanDerWaalsContact CD-OE2 3.26Å; K456-E459 WeakPolarHBondContact CD-OE2 3.47Å; K456-E459 IonicContact NZ-OE1 2.74Å; K456-E459 PolarHBondContact NZ-OE1 3.27Å; K456-E459 IonicContact NZ-OE2 3.39Å; K456-E459 PolarHBondContact NZ-OE2 2.96Å; E459-N462 PolarHBondContact O-N 3.27Å; E459-Y463 PolarHBondContact O-N 3.42Å
460N98.5Very high95.2Very high0 Ų055.5 Ų55.50%030%0.302CS..Hα-helixtrans-60.5-49.5175-74.2-1.2000111.9D423 A424 F428 N444 Y448 K456 K457 I458 N462 Y463 A464D423-N460 WeakPolarHBondContact O-CB 3.35Å; D423-N460 PolarHBondContact O-ND2 3.32Å; A424-N460 HydrophobicContact CB-CB 4.27Å; F428-N460 HydrophobicContact CE2-CB 3.91Å; F428-N460 HydrophobicContact CZ-CB 4.24Å; F428-N460 VanDerWaalsContact CZ-O 3.24Å; F428-N460 WeakPolarHBondContact CZ-O 3.29Å; N444-N460 WeakPolarHBondContact CB-OD1 3.46Å; N444-N460 PolarHBondContact N-OD1 3.11Å; N444-N460 PolarHBondContact ND2-OD1 3.29Å; N444-N460 PolarHBondContact O-ND2 2.98Å; Y448-N460 PolarHBondContact OH-ND2 3.44Å; K456-N460 PolarHBondContact O-N 3.39Å; K456-N460 VanDerWaalsContact O-N 3.14Å; K457-N460 WeakPolarHBondContact O-CB 3.35Å; K457-N460 PolarHBondContact O-N 3.14Å; I458-N460 VanDerWaalsContact C-N 3.31Å; I458-N460 PolarHBondContact O-N 3.03Å; N460-N462 VanDerWaalsContact C-N 3.31Å; N460-N462 PolarHBondContact O-N 3.35Å; N460-Y463 PolarHBondContact O-N 2.97Å; N460-Y463 VanDerWaalsContact O-N 3.13Å; N460-A464 PolarHBondContact O-N 3.05Å
461C98.5Very high95.5Very high0 Ų056.8 Ų56.80%029%0.287CS..Hα-helixtrans-62.4-38.5-178.9-67.30000112.1T422 K457 I458 Y463 A464 V465 G481 L484T422-C461 PolarHBondContact O-SG 2.95Å; K457-C461 PolarHBondContact O-N 3.1Å; K457-C461 PolarHBondContact O-SG 2.75Å; I458-C461 PolarHBondContact O-N 3.09Å; C461-Y463 VanDerWaalsContact C-N 3.35Å; C461-A464 PolarHBondContact O-N 3.19Å; C461-V465 WeakPolarHBondContact O-CG2 3.42Å; C461-V465 PolarHBondContact O-N 3.37Å; C461-G481 WeakPolarHBondContact CB-O 3.44Å; C461-L484 HydrophobicContact CB-CB 4.1Å; C461-L484 HydrophobicContact CB-CD1 4.44Å
462N98.4Very high95.7Very high78 Ų7849 Ų4942%0.41725%0.246SC..Hα-helixtrans-61.2-44.5173.8-77.3-33.3000111.3I458 E459 N460 V465 E466 G481I458-N462 WeakPolarHBondContact CG2-ND2 3.39Å; I458-N462 WeakPolarHBondContact O-CB 3.07Å; I458-N462 VanDerWaalsContact O-CG 3.31Å; I458-N462 PolarHBondContact O-N 2.8Å; I458-N462 PolarHBondContact O-ND2 2.89Å; E459-N462 PolarHBondContact O-N 3.27Å; N460-N462 VanDerWaalsContact C-N 3.31Å; N460-N462 PolarHBondContact O-N 3.35Å; N462-V465 PolarHBondContact O-N 3.3Å; N462-E466 PolarHBondContact O-N 3.39Å; N462-G481 WeakPolarHBondContact OD1-CA 3.26Å; N462-G481 PolarHBondContact OD1-N 3.48Å
463Y98.4Very high95.9Very high37 Ų3754.3 Ų54.315%0.14526%0.257CS..Hα-helixtrans-64.3-40176.2-178.8-135.8000112F428 V438 N439 V443 E459 N460 C461 V465 E466 L467F428-Y463 HydrophobicContact CD1-CD1 4.42Å; F428-Y463 AromaticContact CE1-CD1 3.4Å; F428-Y463 HydrophobicContact CE1-CD1 3.4Å; F428-Y463 VanDerWaalsContact CE1-CD1 3.4Å; F428-Y463 AromaticContact CE1-CE1 3.92Å; F428-Y463 HydrophobicContact CE1-CE1 3.92Å; F428-Y463 HydrophobicContact CE1-CG 4.12Å; F428-Y463 AromaticContact CZ-CD1 3.54Å; F428-Y463 HydrophobicContact CZ-CD1 3.54Å; F428-Y463 HydrophobicContact CZ-CE1 4.37Å; F428-Y463 HydrophobicContact CZ-CG 4.25Å; V438-Y463 HydrophobicContact CG1-CE1 4.07Å; N439-Y463 WeakPolarHBondContact CB-OH 3.34Å; N439-Y463 PolarHBondContact N-OH 3.16Å; V443-Y463 HydrophobicContact CG2-CD1 4.26Å; V443-Y463 HydrophobicContact CG2-CE1 4.2Å; E459-Y463 PolarHBondContact O-N 3.42Å; N460-Y463 PolarHBondContact O-N 2.97Å; N460-Y463 VanDerWaalsContact O-N 3.13Å; C461-Y463 VanDerWaalsContact C-N 3.35Å; Y463-V465 PolarHBondContact O-N 2.72Å; Y463-E466 WeakPolarHBondContact O-CB 3.32Å; Y463-E466 PolarHBondContact O-N 3.49Å; Y463-L467 HydrophobicContact CD1-CD1 4.43Å; Y463-L467 HydrophobicContact CD2-CG 4.2Å; Y463-L467 HydrophobicContact CE1-CD1 3.99Å; Y463-L467 HydrophobicContact CE1-CG 4.5Å; Y463-L467 HydrophobicContact CE2-CD1 4.18Å; Y463-L467 HydrophobicContact CE2-CD2 3.83Å; Y463-L467 HydrophobicContact CE2-CG 3.79Å; Y463-L467 WeakPolarHBondContact O-CG 3.41Å; Y463-L467 PolarHBondContact O-N 3.14Å
464A98.3Very high95.9Very high0 Ų054.8 Ų54.80%026%0.258CS..Hα-helixtrans-61.1-41.5174.600000112.4A424 I427 F428 Y431 N460 C461 G468A424-A464 HydrophobicContact CB-CB 3.86Å; I427-A464 HydrophobicContact CG2-CB 4.03Å; F428-A464 HydrophobicContact CE1-CB 3.88Å; F428-A464 HydrophobicContact CZ-CB 4.15Å; Y431-A464 HydrophobicContact CE2-CB 4.21Å; Y431-A464 WeakPolarHBondContact CE2-O 3.45Å; Y431-A464 PolarHBondContact OH-O 2.92Å; N460-A464 PolarHBondContact O-N 3.05Å; C461-A464 PolarHBondContact O-N 3.19Å; A464-G468 PolarHBondContact O-N 3.43Å; A464-G468 VanDerWaalsContact O-N 3.1Å
465V97.9Very high95.8Very high7 Ų754.7 Ų54.74%0.04226%0.264CS..Hα-helixtrans-66.1-39.7174.31720000111.3C461 N462 Y463 G468 K469 L476 I479 L484C461-V465 WeakPolarHBondContact O-CG2 3.42Å; C461-V465 PolarHBondContact O-N 3.37Å; N462-V465 PolarHBondContact O-N 3.3Å; Y463-V465 PolarHBondContact O-N 2.72Å; V465-G468 PolarHBondContact O-N 2.99Å; V465-K469 HydrophobicContact CG1-CD 3.99Å; V465-K469 HydrophobicContact CG1-CG 4.47Å; V465-K469 WeakPolarHBondContact O-CG 3.28Å; V465-K469 PolarHBondContact O-N 3.31Å; V465-L476 HydrophobicContact CG1-CD1 4.39Å; V465-I479 WeakPolarHBondContact CG1-O 3.22Å; V465-I479 HydrophobicContact CG2-CG2 4.09Å; V465-L484 HydrophobicContact CG2-CD1 3.69Å; V465-L484 HydrophobicContact CG2-CG 4.47Å
466E97.3Very high95.6Very high94 Ų9449.2 Ų49.244%0.43924%0.238SC..Hα-helixtrans-61-48.3176.2-168.5-159.2146.800111.6N462 Y463 G468 K469 N470N462-E466 PolarHBondContact O-N 3.39Å; Y463-E466 WeakPolarHBondContact O-CB 3.32Å; Y463-E466 PolarHBondContact O-N 3.49Å; E466-G468 VanDerWaalsContact C-N 3.28Å; E466-G468 PolarHBondContact O-N 3.1Å; E466-K469 PolarHBondContact O-N 2.9Å; E466-N470 WeakPolarHBondContact CG-ND2 3.27Å; E466-N470 VanDerWaalsContact O-CB 3.29Å; E466-N470 WeakPolarHBondContact O-CB 3.46Å; E466-N470 PolarHBondContact O-N 2.81Å
467L97.6Very high95.1Very high4 Ų452.4 Ų52.42%0.02126%0.262CS..Iπ-helixtrans-56.8-44.4175.2-71.9177.5000111.1F428 Y431 V438 Y463 K471 A472F428-L467 HydrophobicContact CD1-CD1 3.99Å; F428-L467 HydrophobicContact CE1-CD1 3.96Å; Y431-L467 HydrophobicContact CD2-CB 4.33Å; Y431-L467 HydrophobicContact CD2-CD1 4.06Å; Y431-L467 HydrophobicContact CE1-CB 4.37Å; Y431-L467 HydrophobicContact CE2-CB 4Å; Y431-L467 HydrophobicContact CE2-CD1 4.39Å; V438-L467 HydrophobicContact CG1-CD1 4.46Å; V438-L467 HydrophobicContact CG2-CD1 3.98Å; Y463-L467 HydrophobicContact CD1-CD1 4.43Å; Y463-L467 HydrophobicContact CD2-CG 4.2Å; Y463-L467 HydrophobicContact CE1-CD1 3.99Å; Y463-L467 HydrophobicContact CE1-CG 4.5Å; Y463-L467 HydrophobicContact CE2-CD1 4.18Å; Y463-L467 HydrophobicContact CE2-CD2 3.83Å; Y463-L467 HydrophobicContact CE2-CG 3.79Å; Y463-L467 WeakPolarHBondContact O-CG 3.41Å; Y463-L467 PolarHBondContact O-N 3.14Å; L467-K471 HydrophobicContact CD2-CG 3.81Å; L467-K471 WeakPolarHBondContact O-CA 3.46Å; L467-K471 WeakPolarHBondContact O-CB 3.13Å; L467-K471 PolarHBondContact O-N 3.32Å; L467-A472 PolarHBondContact O-N 3.06Å
468G95.6Very high94.7Very high0 Ų052.8 Ų52.80%028%0.282CS..Iπ-helixtrans-56.7-52.617600000112.5Y431 A464 V465 E466 A472 K473 F474Y431-G468 WeakPolarHBondContact OH-CA 3.42Å; Y431-G468 PolarHBondContact OH-N 3.35Å; Y431-G468 VanDerWaalsContact OH-N 3.09Å; A464-G468 PolarHBondContact O-N 3.43Å; A464-G468 VanDerWaalsContact O-N 3.1Å; V465-G468 PolarHBondContact O-N 2.99Å; E466-G468 VanDerWaalsContact C-N 3.28Å; E466-G468 PolarHBondContact O-N 3.1Å; G468-A472 CarbonylContact O-C 3.5Å; G468-A472 WeakPolarHBondContact O-CB 3.36Å; G468-K473 PolarHBondContact O-N 2.95Å; G468-F474 WeakPolarHBondContact O-CB 3.46Å; G468-F474 PolarHBondContact O-N 3.21Å
469K93.8Very high94.5Very high83 Ų8351.1 Ų51.136%0.36127%0.274SS..Iπ-helixtrans-67.7-51.2-179.1-70.7175.4-178168.40112.1V465 E466 K473 L476 I479V465-K469 HydrophobicContact CG1-CD 3.99Å; V465-K469 HydrophobicContact CG1-CG 4.47Å; V465-K469 WeakPolarHBondContact O-CG 3.28Å; V465-K469 PolarHBondContact O-N 3.31Å; E466-K469 PolarHBondContact O-N 2.9Å; K469-K473 WeakPolarHBondContact O-CA 3.43Å; K469-L476 HydrophobicContact CD-CB 4.42Å; K469-L476 WeakPolarHBondContact CE-O 2.73Å; K469-L476 HydrophobicContact CG-CB 3.9Å; K469-L476 HydrophobicContact CG-CD1 4.18Å; K469-L476 HydrophobicContact CG-CG 4.44Å; K469-L476 PolarHBondContact NZ-O 3.41Å; K469-I479 PolarHBondContact NZ-O 3.05Å
470N93.2Very high94.4Very high85 Ų8549.6 Ų49.646%0.45527%0.274SS..Iπ-helixtrans-89.8-41.1-164.1-67.1-18.9000113E466 K473E466-N470 WeakPolarHBondContact CG-ND2 3.27Å; E466-N470 VanDerWaalsContact O-CB 3.29Å; E466-N470 WeakPolarHBondContact O-CB 3.46Å; E466-N470 PolarHBondContact O-N 2.81Å; N470-K473 VanDerWaalsContact O-CE 3.28Å; N470-K473 WeakPolarHBondContact O-CE 3.49Å; N470-K473 PolarHBondContact O-NZ 3.04Å
471K92.2Very high94.3Very high141 Ų14149.6 Ų49.661%0.61327%0.274SS*.Iπ-helixtrans-96.3-52-176.1-54.8-62.7-174.6176.20111.1V436 L467V436-K471 HydrophobicContact CG1-CB 3.85Å; L467-K471 HydrophobicContact CD2-CG 3.81Å; L467-K471 WeakPolarHBondContact O-CA 3.46Å; L467-K471 WeakPolarHBondContact O-CB 3.13Å; L467-K471 PolarHBondContact O-N 3.32Å
472A90.5Very high94.2Very high1 Ų154.6 Ų54.61%0.00830%0.298CS..Iπ-helixtrans-78.2-20.6-177.600000113Y431 V436 L467 G468 F474 R502Y431-A472 HydrophobicContact CE1-CB 4.15Å; V436-A472 HydrophobicContact CG2-CB 3.95Å; L467-A472 PolarHBondContact O-N 3.06Å; G468-A472 CarbonylContact O-C 3.5Å; G468-A472 WeakPolarHBondContact O-CB 3.36Å; A472-F474 HydrophobicContact CB-CD1 3.93Å; A472-F474 HydrophobicContact CB-CD2 4.01Å; A472-F474 HydrophobicContact CB-CE1 3.79Å; A472-F474 HydrophobicContact CB-CE2 3.87Å; A472-F474 HydrophobicContact CB-CG 4.05Å; A472-F474 HydrophobicContact CB-CZ 3.76Å; A472-R502 VanDerWaalsContact O-CZ 3.24Å; A472-R502 PolarHBondContact O-NH1 3.3Å; A472-R502 PolarHBondContact O-NH2 3.12Å
473K91.6Very high94.1Very high153 Ų15352.7 Ų52.767%0.66529%0.287SS*.  trans61.940.7-176.5-52.1-55.9-169.9-169.10113.1G468 K469 N470G468-K473 PolarHBondContact O-N 2.95Å; K469-K473 WeakPolarHBondContact O-CA 3.43Å; N470-K473 VanDerWaalsContact O-CE 3.28Å; N470-K473 WeakPolarHBondContact O-CE 3.49Å; N470-K473 PolarHBondContact O-NZ 3.04Å
474F93.2Very high94Very high16 Ų1651 Ų517%0.0728%0.281CS..  trans-76.4149.1172.1-66.7-16.2000111.7Y431 I434 G468 A472 L476 L495 Q498 L499 R502Y431-F474 HydrophobicContact CE1-CD2 4.47Å; Y431-F474 AromaticContact CE1-CE2 3.85Å; Y431-F474 HydrophobicContact CE1-CE2 3.85Å; I434-F474 HydrophobicContact CD1-CE2 4.42Å; I434-F474 HydrophobicContact CD1-CZ 3.75Å; G468-F474 WeakPolarHBondContact O-CB 3.46Å; G468-F474 PolarHBondContact O-N 3.21Å; A472-F474 HydrophobicContact CB-CD1 3.93Å; A472-F474 HydrophobicContact CB-CD2 4.01Å; A472-F474 HydrophobicContact CB-CE1 3.79Å; A472-F474 HydrophobicContact CB-CE2 3.87Å; A472-F474 HydrophobicContact CB-CG 4.05Å; A472-F474 HydrophobicContact CB-CZ 3.76Å; F474-L476 HydrophobicContact CB-CD1 4.08Å; F474-L476 HydrophobicContact CB-CD2 4.16Å; F474-L476 HydrophobicContact CB-CG 3.76Å; F474-L476 PolarHBondContact O-N 2.99Å; F474-L495 HydrophobicContact CD2-CD1 4Å; F474-L495 HydrophobicContact CE2-CD1 4.34Å; F474-Q498 VanDerWaalsContact CA-OE1 3.31Å; F474-Q498 VanDerWaalsContact CB-OE1 3.23Å; F474-Q498 HydrophobicContact CD1-CB 4.02Å; F474-Q498 HydrophobicContact CD2-CB 4.06Å; F474-Q498 HydrophobicContact CE1-CB 4.18Å; F474-Q498 HydrophobicContact CE2-CB 4.21Å; F474-Q498 HydrophobicContact CG-CB 3.96Å; F474-Q498 HydrophobicContact CZ-CB 4.26Å; F474-L499 HydrophobicContact CE2-CD2 3.65Å; F474-L499 HydrophobicContact CE2-CG 4.02Å; F474-L499 HydrophobicContact CZ-CD2 4Å; F474-L499 HydrophobicContact CZ-CG 4.46Å; F474-R502 HydrophobicContact CE1-CB 3.92Å; F474-R502 HydrophobicContact CE1-CG 4.4Å; F474-R502 HydrophobicContact CZ-CB 4.08Å
475S91.9Very high94Very high88 Ų8851.7 Ų51.762%0.61529%0.285SS*.  trans-83.693170.2-172.20000108.5Q498S475-Q498 PolarHBondContact O-NE2 3.43Å
476L91.8Very high93.8Very high3 Ų357.3 Ų57.32%0.01631%0.31CS..  trans-116.338-179.5-58.1178.4000110.8V465 K469 F474 G478 I479 L495V465-L476 HydrophobicContact CG1-CD1 4.39Å; K469-L476 HydrophobicContact CD-CB 4.42Å; K469-L476 WeakPolarHBondContact CE-O 2.73Å; K469-L476 HydrophobicContact CG-CB 3.9Å; K469-L476 HydrophobicContact CG-CD1 4.18Å; K469-L476 HydrophobicContact CG-CG 4.44Å; K469-L476 PolarHBondContact NZ-O 3.41Å; F474-L476 HydrophobicContact CB-CD1 4.08Å; F474-L476 HydrophobicContact CB-CD2 4.16Å; F474-L476 HydrophobicContact CB-CG 3.76Å; F474-L476 PolarHBondContact O-N 2.99Å; L476-G478 PolarHBondContact O-N 3.45Å; L476-I479 HydrophobicContact CB-CB 4.25Å; L476-I479 HydrophobicContact CB-CD1 4.34Å; L476-I479 HydrophobicContact CD2-CD1 3.72Å; L476-I479 PolarHBondContact O-N 3.43Å; L476-L495 HydrophobicContact CD1-CD1 4.01Å; L476-L495 HydrophobicContact CD2-CB 4.43Å; L476-L495 HydrophobicContact CD2-CD1 3.83Å
477V86.4Confident93.6Very high134 Ų13453.5 Ų53.581%0.81230%0.297SS*.THydrogen-bonded Turntrans-64.5125.6177.2-177.90000108.4I479V477-I479 VanDerWaalsContact C-N 3.32Å
478G88Confident93.5Very high65 Ų6556.2 Ų56.267%0.6731%0.311SS*.THydrogen-bonded Turntrans79.66.1-177.600000115.5L476L476-G478 PolarHBondContact O-N 3.45Å
479I93.4Very high93.4Very high8 Ų858.8 Ų58.84%0.04133%0.329CS..  trans-103.8125.2172.7-57.4173.6000109.3V465 K469 L476 V477 L491 A494V465-I479 WeakPolarHBondContact CG1-O 3.22Å; V465-I479 HydrophobicContact CG2-CG2 4.09Å; K469-I479 PolarHBondContact NZ-O 3.05Å; L476-I479 HydrophobicContact CB-CB 4.25Å; L476-I479 HydrophobicContact CB-CD1 4.34Å; L476-I479 HydrophobicContact CD2-CD1 3.72Å; L476-I479 PolarHBondContact O-N 3.43Å; V477-I479 VanDerWaalsContact C-N 3.32Å; I479-L491 HydrophobicContact CD1-CB 4.4Å; I479-L491 HydrophobicContact CD1-CD2 4.4Å; I479-L491 HydrophobicContact CG1-CB 4.17Å; I479-L491 HydrophobicContact CG1-CD1 4.42Å; I479-L491 HydrophobicContact CG1-CD2 3.92Å; I479-L491 HydrophobicContact CG1-CG 4.36Å; I479-A494 HydrophobicContact CD1-CB 4.31Å
480A95.3Very high93.3Very high45 Ų4559.5 Ų59.537%0.37234%0.34SS..  trans-115.6167.2172.100000110.9Q482 D483A480-Q482 VanDerWaalsContact C-N 3.25Å; A480-Q482 PolarHBondContact O-N 3.44Å; A480-D483 WeakPolarHBondContact CA-OD2 3.31Å; A480-D483 WeakPolarHBondContact CB-OD2 3.28Å; A480-D483 PolarHBondContact N-OD2 2.78Å; A480-D483 PolarHBondContact O-N 3.5Å
481G96.4Very high93.4Very high0 Ų057.2 Ų57.20%033%0.328CS..Hα-helixtrans-66.8-28178.400000113.2C461 N462 D483 L484 N485C461-G481 WeakPolarHBondContact CB-O 3.44Å; N462-G481 WeakPolarHBondContact OD1-CA 3.26Å; N462-G481 PolarHBondContact OD1-N 3.48Å; G481-D483 VanDerWaalsContact C-N 3.34Å; G481-D483 PolarHBondContact O-N 2.86Å; G481-L484 PolarHBondContact O-N 2.88Å; G481-N485 PolarHBondContact O-N 3.34Å; G481-N485 VanDerWaalsContact O-N 3.08Å
482Q96.9Very high93.6Very high105 Ų10550.7 Ų50.749%0.49130%0.3SS..Hα-helixtrans-61.5-42.4175.2-177.4172-5.500111.6A480 L484 N485 E486A480-Q482 VanDerWaalsContact C-N 3.25Å; A480-Q482 PolarHBondContact O-N 3.44Å; Q482-L484 VanDerWaalsContact C-N 3.27Å; Q482-L484 PolarHBondContact O-N 2.86Å; Q482-N485 PolarHBondContact O-N 3.17Å; Q482-N485 VanDerWaalsContact O-N 3.12Å; Q482-E486 HydrophobicContact CG-CG 4.24Å; Q482-E486 VanDerWaalsContact CG-OE1 3.29Å; Q482-E486 WeakPolarHBondContact CG-OE1 3.45Å; Q482-E486 PolarHBondContact NE2-OE1 3.38Å; Q482-E486 WeakPolarHBondContact O-CB 3.49Å; Q482-E486 WeakPolarHBondContact O-CG 3.32Å; Q482-E486 PolarHBondContact O-N 2.93Å
483D96.8Very high93.7Very high37 Ų3751.6 Ų51.620%0.19831%0.305CS..Hα-helixtrans-59.9-37.9179.7-56-60.8000112.6A480 G481 G487 N488 L491A480-D483 WeakPolarHBondContact CA-OD2 3.31Å; A480-D483 WeakPolarHBondContact CB-OD2 3.28Å; A480-D483 PolarHBondContact N-OD2 2.78Å; A480-D483 PolarHBondContact O-N 3.5Å; G481-D483 VanDerWaalsContact C-N 3.34Å; G481-D483 PolarHBondContact O-N 2.86Å; D483-G487 PolarHBondContact O-N 3.4Å; D483-N488 HydrophobicContact CB-CB 4.33Å; D483-N488 VanDerWaalsContact O-CB 3.23Å; D483-N488 WeakPolarHBondContact O-CB 2.98Å; D483-N488 PolarHBondContact O-N 2.64Å; D483-L491 HydrophobicContact CB-CB 4.46Å; D483-L491 HydrophobicContact CB-CD1 3.62Å
484L96.5Very high93.8Very high3 Ų345.8 Ų45.82%0.01629%0.285CS..Hα-helixtrans-72.4-40176.7-61.9179.8000111.5I427 C461 V465 G481 Q482 E486 G487 L495I427-L484 HydrophobicContact CD1-CD1 4.25Å; C461-L484 HydrophobicContact CB-CB 4.1Å; C461-L484 HydrophobicContact CB-CD1 4.44Å; V465-L484 HydrophobicContact CG2-CD1 3.69Å; V465-L484 HydrophobicContact CG2-CG 4.47Å; G481-L484 PolarHBondContact O-N 2.88Å; Q482-L484 VanDerWaalsContact C-N 3.27Å; Q482-L484 PolarHBondContact O-N 2.86Å; L484-E486 VanDerWaalsContact C-N 3.34Å; L484-G487 PolarHBondContact O-N 3.46Å; L484-G487 VanDerWaalsContact O-N 3.15Å; L484-L495 HydrophobicContact CD1-CD2 3.72Å; L484-L495 HydrophobicContact CD2-CD2 4.03Å
485N97.2Very high93.9Very high14 Ų1445.1 Ų45.18%0.07528%0.282CS..Hα-helixtrans-69-32.7179.8176.9-119.2000112.7T422 N454 K457 I458 G481 Q482 G487T422-N485 WeakPolarHBondContact CB-O 3.23Å; T422-N485 VanDerWaalsContact CG2-O 3.28Å; T422-N485 WeakPolarHBondContact CG2-O 3.47Å; T422-N485 PolarHBondContact O-ND2 3.39Å; N454-N485 PolarHBondContact ND2-OD1 3.2Å; N454-N485 PolarHBondContact OD1-ND2 2.96Å; N454-N485 PolarHBondContact OD1-OD1 3.22Å; K457-N485 WeakPolarHBondContact CB-ND2 3.49Å; I458-N485 HydrophobicContact CG1-CB 3.9Å; I458-N485 VanDerWaalsContact CG1-OD1 3.27Å; I458-N485 WeakPolarHBondContact CG1-OD1 3.45Å; G481-N485 PolarHBondContact O-N 3.34Å; G481-N485 VanDerWaalsContact O-N 3.08Å; Q482-N485 PolarHBondContact O-N 3.17Å; Q482-N485 VanDerWaalsContact O-N 3.12Å; N485-G487 PolarHBondContact O-N 2.89Å
486E95.2Very high94.1Very high124 Ų12441 Ų4158%0.57925%0.253SS*.THydrogen-bonded Turntrans-77-6.2173-70.5175.1179.100112.9Q482 L484Q482-E486 HydrophobicContact CG-CG 4.24Å; Q482-E486 VanDerWaalsContact CG-OE1 3.29Å; Q482-E486 WeakPolarHBondContact CG-OE1 3.45Å; Q482-E486 PolarHBondContact NE2-OE1 3.38Å; Q482-E486 WeakPolarHBondContact O-CB 3.49Å; Q482-E486 WeakPolarHBondContact O-CG 3.32Å; Q482-E486 PolarHBondContact O-N 2.93Å; L484-E486 VanDerWaalsContact C-N 3.34Å
487G93.2Very high94.2Very high15 Ų1542.5 Ų42.516%0.15526%0.259CS..THydrogen-bonded Turntrans72.732179.200000113.5Y418 D483 L484 N485 S489Y418-G487 WeakPolarHBondContact O-CA 3.35Å; D483-G487 PolarHBondContact O-N 3.4Å; L484-G487 PolarHBondContact O-N 3.46Å; L484-G487 VanDerWaalsContact O-N 3.15Å; N485-G487 PolarHBondContact O-N 2.89Å; G487-S489 PolarHBondContact O-N 3.29Å
488N94.7Very high94.6Very high61 Ų6137.8 Ų37.833%0.32623%0.228SC..  trans-59.6114.3178.8-175.3-57.3000110.6D483 T490 L491 T492D483-N488 HydrophobicContact CB-CB 4.33Å; D483-N488 VanDerWaalsContact O-CB 3.23Å; D483-N488 WeakPolarHBondContact O-CB 2.98Å; D483-N488 PolarHBondContact O-N 2.64Å; N488-T490 PolarHBondContact O-N 3.41Å; N488-T490 PolarHBondContact OD1-N 2.9Å; N488-L491 HydrophobicContact CB-CB 4.32Å; N488-L491 PolarHBondContact O-N 3.32Å; N488-L491 WeakPolarHBondContact OD1-CG 3.21Å; N488-L491 PolarHBondContact OD1-N 2.99Å; N488-L491 VanDerWaalsContact OD1-N 3.16Å; N488-T492 WeakPolarHBondContact O-CB 3.42Å; N488-T492 PolarHBondContact O-N 3.2Å; N488-T492 PolarHBondContact O-OG1 2.85Å
489S92.5Very high94.9Very high53 Ų5334.7 Ų34.737%0.37120%0.196SC..Hα-helixtrans-58.5-51.3-171.556.40000112.7Y418 G487 L491 T492 L493Y418-S489 VanDerWaalsContact CE1-CA 3.41Å; Y418-S489 WeakPolarHBondContact OH-CB 3.31Å; G487-S489 PolarHBondContact O-N 3.29Å; S489-L491 PolarHBondContact O-N 3.33Å; S489-T492 PolarHBondContact O-N 3.44Å; S489-L493 WeakPolarHBondContact O-CB 3.48Å; S489-L493 VanDerWaalsContact O-CG 3.22Å; S489-L493 WeakPolarHBondContact O-CG 3.5Å; S489-L493 PolarHBondContact O-N 2.88Å
490T92.7Very high94.9Very high98 Ų9834.5 Ų34.560%0.60120%0.195SC*.Hα-helixtrans-62.7-45-176.6-62.80000112N488 A494N488-T490 PolarHBondContact O-N 3.41Å; N488-T490 PolarHBondContact OD1-N 2.9Å; T490-A494 WeakPolarHBondContact O-CB 3.49Å; T490-A494 PolarHBondContact O-N 3.06Å
491L95.5Very high94.6Very high38 Ų3836.4 Ų36.420%0.19919%0.193CC..Hα-helixtrans-76.2-34.2-176-58.5-176.4000111.8I479 D483 N488 S489 A494 L495I479-L491 HydrophobicContact CD1-CB 4.4Å; I479-L491 HydrophobicContact CD1-CD2 4.4Å; I479-L491 HydrophobicContact CG1-CB 4.17Å; I479-L491 HydrophobicContact CG1-CD1 4.42Å; I479-L491 HydrophobicContact CG1-CD2 3.92Å; I479-L491 HydrophobicContact CG1-CG 4.36Å; D483-L491 HydrophobicContact CB-CB 4.46Å; D483-L491 HydrophobicContact CB-CD1 3.62Å; N488-L491 HydrophobicContact CB-CB 4.32Å; N488-L491 PolarHBondContact O-N 3.32Å; N488-L491 WeakPolarHBondContact OD1-CG 3.21Å; N488-L491 PolarHBondContact OD1-N 2.99Å; N488-L491 VanDerWaalsContact OD1-N 3.16Å; S489-L491 PolarHBondContact O-N 3.33Å; L491-A494 PolarHBondContact O-N 2.73Å; L491-L495 PolarHBondContact O-N 3.03Å; L491-L495 VanDerWaalsContact O-N 3.13Å
492T95.5Very high94.2Very high4 Ų439.8 Ų39.83%0.02521%0.205CC..Hα-helixtrans-63.3-51172.6-58.70000110.6Y418 L421 N488 S489 A494 L495 V496Y418-T492 HydrophobicContact CD1-CG2 4.11Å; Y418-T492 HydrophobicContact CE1-CG2 4.38Å; L421-T492 HydrophobicContact CD1-CG2 3.7Å; N488-T492 WeakPolarHBondContact O-CB 3.42Å; N488-T492 PolarHBondContact O-N 3.2Å; N488-T492 PolarHBondContact O-OG1 2.85Å; S489-T492 PolarHBondContact O-N 3.44Å; T492-A494 VanDerWaalsContact C-N 3.27Å; T492-A494 PolarHBondContact O-N 2.96Å; T492-L495 PolarHBondContact O-N 3.47Å; T492-L495 VanDerWaalsContact O-N 3.13Å; T492-V496 HydrophobicContact CG2-CG2 4.3Å; T492-V496 WeakPolarHBondContact O-CG2 3.32Å; T492-V496 PolarHBondContact O-N 2.81Å
493L94.1Very high93.8Very high19 Ų1936.9 Ų36.910%0.09919%0.19CC..Hα-helixtrans-58.9-38.1176.2-68.8177000112.2E398 F401 L417 Y418 S489 L495 V496 W497E398-L493 HydrophobicContact CG-CD2 3.97Å; F401-L493 HydrophobicContact CD2-CD2 3.47Å; F401-L493 VanDerWaalsContact CD2-CD2 3.47Å; F401-L493 HydrophobicContact CE2-CB 4.42Å; F401-L493 HydrophobicContact CE2-CD2 3.79Å; L417-L493 HydrophobicContact CD2-CD2 3.72Å; Y418-L493 HydrophobicContact CE1-CD2 4.38Å; Y418-L493 HydrophobicContact CE1-CG 4.16Å; Y418-L493 VanDerWaalsContact OH-CD1 3.3Å; Y418-L493 WeakPolarHBondContact OH-CD1 3.49Å; Y418-L493 WeakPolarHBondContact OH-CG 3.4Å; S489-L493 WeakPolarHBondContact O-CB 3.48Å; S489-L493 VanDerWaalsContact O-CG 3.22Å; S489-L493 WeakPolarHBondContact O-CG 3.5Å; S489-L493 PolarHBondContact O-N 2.88Å; L493-L495 VanDerWaalsContact C-N 3.34Å; L493-L495 PolarHBondContact O-N 2.76Å; L493-V496 PolarHBondContact O-N 2.78Å; L493-W497 WeakPolarHBondContact O-CB 3.44Å; L493-W497 PolarHBondContact O-N 2.9Å
494A93.1Very high93.3Very high32 Ų3235.7 Ų35.726%0.26419%0.185SC..Hα-helixtrans-63.8-37.2177.500000113I479 T490 L491 T492 Q498I479-A494 HydrophobicContact CD1-CB 4.31Å; T490-A494 WeakPolarHBondContact O-CB 3.49Å; T490-A494 PolarHBondContact O-N 3.06Å; L491-A494 PolarHBondContact O-N 2.73Å; T492-A494 VanDerWaalsContact C-N 3.27Å; T492-A494 PolarHBondContact O-N 2.96Å; A494-Q498 WeakPolarHBondContact O-CG 3.23Å; A494-Q498 PolarHBondContact O-N 2.96Å; A494-Q498 PolarHBondContact O-NE2 3.24Å
495L95.7Very high92.6Very high1 Ų136.5 Ų36.51%0.00519%0.189CC..Hα-helixtrans-72.1-48.5174.4175.959.9000111.4I427 F474 L476 L484 L491 T492 L493 W497 Q498 L499I427-L495 HydrophobicContact CD1-CD2 4.08Å; I427-L495 HydrophobicContact CG2-CD2 4.31Å; F474-L495 HydrophobicContact CD2-CD1 4Å; F474-L495 HydrophobicContact CE2-CD1 4.34Å; L476-L495 HydrophobicContact CD1-CD1 4.01Å; L476-L495 HydrophobicContact CD2-CB 4.43Å; L476-L495 HydrophobicContact CD2-CD1 3.83Å; L484-L495 HydrophobicContact CD1-CD2 3.72Å; L484-L495 HydrophobicContact CD2-CD2 4.03Å; L491-L495 PolarHBondContact O-N 3.03Å; L491-L495 VanDerWaalsContact O-N 3.13Å; T492-L495 PolarHBondContact O-N 3.47Å; T492-L495 VanDerWaalsContact O-N 3.13Å; L493-L495 VanDerWaalsContact C-N 3.34Å; L493-L495 PolarHBondContact O-N 2.76Å; L495-W497 VanDerWaalsContact C-N 3.31Å; L495-W497 PolarHBondContact O-N 3.44Å; L495-Q498 PolarHBondContact O-N 3.23Å; L495-L499 HydrophobicContact CG-CD1 4.28Å; L495-L499 PolarHBondContact O-N 3.09Å
496V95.8Very high91.8Very high1 Ų137.4 Ų37.41%0.00619%0.194CC..Hα-helixtrans-61.6-40.2-178.3178.60000111.3F401 W404 M405 L421 T492 L493 Q498 L499 M500F401-V496 HydrophobicContact CB-CG1 3.7Å; F401-V496 HydrophobicContact CD1-CG1 3.87Å; F401-V496 HydrophobicContact CD2-CG1 4.15Å; F401-V496 HydrophobicContact CG-CB 4.48Å; F401-V496 HydrophobicContact CG-CG1 3.65Å; W404-V496 HydrophobicContact CE3-CG1 4.29Å; W404-V496 HydrophobicContact CZ3-CG1 4Å; M405-V496 HydrophobicContact SD-CG1 3.81Å; M405-V496 HydrophobicContact SD-CG2 4.43Å; L421-V496 HydrophobicContact CD1-CG2 3.96Å; T492-V496 HydrophobicContact CG2-CG2 4.3Å; T492-V496 WeakPolarHBondContact O-CG2 3.32Å; T492-V496 PolarHBondContact O-N 2.81Å; L493-V496 PolarHBondContact O-N 2.78Å; V496-Q498 VanDerWaalsContact C-N 3.32Å; V496-Q498 PolarHBondContact O-N 3.46Å; V496-L499 WeakPolarHBondContact O-CB 3.42Å; V496-L499 PolarHBondContact O-N 2.75Å; V496-M500 PolarHBondContact O-N 2.57Å
497W93.8Very high90.8Very high36 Ų3634.6 Ų34.614%0.13619%0.185CC..Hα-helixtrans-55.7-44.4171165.4-116.5000112.7F401 L493 L495 L499 M500 R501 K611 M614 T615F401-W497 HydrophobicContact CE1-CB 4.39Å; F401-W497 HydrophobicContact CE1-CE3 4.23Å; F401-W497 HydrophobicContact CE2-CB 4.48Å; F401-W497 HydrophobicContact CZ-CB 3.78Å; F401-W497 HydrophobicContact CZ-CE3 4.2Å; L493-W497 WeakPolarHBondContact O-CB 3.44Å; L493-W497 PolarHBondContact O-N 2.9Å; L495-W497 VanDerWaalsContact C-N 3.31Å; L495-W497 PolarHBondContact O-N 3.44Å; W497-L499 VanDerWaalsContact C-N 3.35Å; W497-M500 PolarHBondContact O-N 3.17Å; W497-R501 HydrophobicContact CH2-CB 4.43Å; W497-R501 HydrophobicContact CZ2-CB 4.28Å; W497-R501 HydrophobicContact CZ2-CG 4.41Å; W497-R501 VanDerWaalsContact O-CB 3.31Å; W497-R501 WeakPolarHBondContact O-CB 3.22Å; W497-R501 PolarHBondContact O-N 3.24Å; W497-K611 HydrophobicContact CD2-CB 4.24Å; W497-K611 HydrophobicContact CD2-CD 3.64Å; W497-K611 HydrophobicContact CD2-CG 3.99Å; W497-K611 HydrophobicContact CE3-CB 3.97Å; W497-K611 HydrophobicContact CE3-CD 3.97Å; W497-K611 HydrophobicContact CE3-CG 4.24Å; W497-K611 HydrophobicContact CG-CD 3.96Å; W497-K611 VanDerWaalsContact CH2-CA 3.45Å; W497-K611 HydrophobicContact CH2-CB 3.46Å; W497-K611 VanDerWaalsContact CH2-CB 3.46Å; W497-K611 HydrophobicContact CH2-CG 3.94Å; W497-K611 WeakPolarHBondContact CH2-O 3.24Å; W497-K611 HydrophobicContact CZ2-CB 3.72Å; W497-K611 HydrophobicContact CZ2-CD 4.25Å; W497-K611 HydrophobicContact CZ2-CG 3.63Å; W497-K611 HydrophobicContact CZ3-CB 3.59Å; W497-K611 HydrophobicContact CZ3-CD 4.43Å; W497-K611 HydrophobicContact CZ3-CG 4.23Å; W497-M614 HydrophobicContact CH2-SD 4.43Å; W497-T615 HydrophobicContact CH2-CG2 4.09Å; W497-T615 HydrophobicContact CZ3-CG2 3.84Å
498Q93.2Very high89.9Confident35 Ų3534 Ų3416%0.16418%0.178CC..Hα-helixtrans-68.8-35-179.9-72.9-175.681.400112.4F474 S475 A494 L495 V496 R502F474-Q498 VanDerWaalsContact CA-OE1 3.31Å; F474-Q498 VanDerWaalsContact CB-OE1 3.23Å; F474-Q498 HydrophobicContact CD1-CB 4.02Å; F474-Q498 HydrophobicContact CD2-CB 4.06Å; F474-Q498 HydrophobicContact CE1-CB 4.18Å; F474-Q498 HydrophobicContact CE2-CB 4.21Å; F474-Q498 HydrophobicContact CG-CB 3.96Å; F474-Q498 HydrophobicContact CZ-CB 4.26Å; S475-Q498 PolarHBondContact O-NE2 3.43Å; A494-Q498 WeakPolarHBondContact O-CG 3.23Å; A494-Q498 PolarHBondContact O-N 2.96Å; A494-Q498 PolarHBondContact O-NE2 3.24Å; L495-Q498 PolarHBondContact O-N 3.23Å; V496-Q498 VanDerWaalsContact C-N 3.32Å; V496-Q498 PolarHBondContact O-N 3.46Å; Q498-R502 WeakPolarHBondContact O-CB 3.3Å; Q498-R502 PolarHBondContact O-N 3.44Å
499L95.2Very high88.6Confident0 Ų032.9 Ų32.90%018%0.175CC..Hα-helixtrans-61.6-51.7170.9-68.2167.2000110.7W404 I427 L430 Y431 I434 F474 L495 V496 W497 R501 R502 Y503W404-L499 HydrophobicContact CH2-CB 3.93Å; W404-L499 HydrophobicContact CZ3-CB 4.35Å; I427-L499 HydrophobicContact CG2-CD1 4.23Å; L430-L499 HydrophobicContact CB-CD1 4.29Å; L430-L499 HydrophobicContact CD1-CD1 3.99Å; Y431-L499 HydrophobicContact CD1-CD2 3.91Å; Y431-L499 HydrophobicContact CE1-CD2 3.74Å; Y431-L499 HydrophobicContact CG-CD2 4.48Å; I434-L499 HydrophobicContact CD1-CD2 3.6Å; I434-L499 HydrophobicContact CG1-CD2 4.47Å; F474-L499 HydrophobicContact CE2-CD2 3.65Å; F474-L499 HydrophobicContact CE2-CG 4.02Å; F474-L499 HydrophobicContact CZ-CD2 4Å; F474-L499 HydrophobicContact CZ-CG 4.46Å; L495-L499 HydrophobicContact CG-CD1 4.28Å; L495-L499 PolarHBondContact O-N 3.09Å; V496-L499 WeakPolarHBondContact O-CB 3.42Å; V496-L499 PolarHBondContact O-N 2.75Å; W497-L499 VanDerWaalsContact C-N 3.35Å; L499-R501 PolarHBondContact O-N 3.49Å; L499-R502 PolarHBondContact O-N 3.17Å; L499-Y503 WeakPolarHBondContact O-CB 3.28Å; L499-Y503 PolarHBondContact O-N 2.94Å
500M92.9Very high87.2Confident4 Ų434 Ų342%0.0218%0.177CC..Hα-helixtrans-60.5-43.3178.8-172.3-171.7-175.100112.2F401 W404 V496 W497 Y503 T504 Y599 T615F401-M500 HydrophobicContact CD1-SD 3.89Å; F401-M500 HydrophobicContact CE1-CB 4.41Å; F401-M500 HydrophobicContact CE1-SD 3.66Å; W404-M500 HydrophobicContact CD2-CB 4.07Å; W404-M500 HydrophobicContact CD2-CG 3.84Å; W404-M500 HydrophobicContact CD2-SD 4.49Å; W404-M500 HydrophobicContact CE3-CB 3.92Å; W404-M500 HydrophobicContact CE3-CG 4.17Å; W404-M500 HydrophobicContact CG-CE 4.38Å; W404-M500 HydrophobicContact CG-CG 4.26Å; W404-M500 HydrophobicContact CH2-CB 3.89Å; W404-M500 HydrophobicContact CZ2-CB 4Å; W404-M500 HydrophobicContact CZ2-CG 4.24Å; W404-M500 HydrophobicContact CZ3-CB 3.84Å; V496-M500 PolarHBondContact O-N 2.57Å; W497-M500 PolarHBondContact O-N 3.17Å; M500-Y503 WeakPolarHBondContact O-CB 3.26Å; M500-Y503 PolarHBondContact O-N 3.03Å; M500-T504 WeakPolarHBondContact O-CB 3.45Å; M500-T504 PolarHBondContact O-N 3.41Å; M500-T504 PolarHBondContact O-OG1 2.85Å; M500-Y599 HydrophobicContact CE-CD2 4.03Å; M500-Y599 HydrophobicContact CE-CG 4.35Å; M500-T615 HydrophobicContact CE-CG2 4.35Å
501R89.2Confident85.6Confident84 Ų8430.9 Ų30.932%0.31716%0.156SC..Hα-helixtrans-61.4-45.9176.4-176.3176.4-179.7-113.41.5111.1W497 L499 T504 L505 D519 M614W497-R501 HydrophobicContact CH2-CB 4.43Å; W497-R501 HydrophobicContact CZ2-CB 4.28Å; W497-R501 HydrophobicContact CZ2-CG 4.41Å; W497-R501 VanDerWaalsContact O-CB 3.31Å; W497-R501 WeakPolarHBondContact O-CB 3.22Å; W497-R501 PolarHBondContact O-N 3.24Å; L499-R501 PolarHBondContact O-N 3.49Å; R501-T504 PolarHBondContact O-N 2.94Å; R501-L505 HydrophobicContact CG-CD1 4.15Å; R501-L505 WeakPolarHBondContact O-CG 3.3Å; R501-L505 PolarHBondContact O-N 3.42Å; R501-D519 IonicContact CZ-OD1 2.73Å; R501-D519 IonicContact NE-OD1 2.71Å; R501-D519 IonicContact NH2-OD1 3.2Å; R501-D519 PolarHBondContact NH2-OD1 2.98Å; R501-D519 IonicContact NH2-OD2 3.41Å; R501-M614 HydrophobicContact CG-CE 4.25Å
502R88.4Confident83.7Confident71 Ų7130.7 Ų30.727%0.26816%0.163SC..Hα-helixtrans-64.6-42.7177.6179.557.661.880.67.4111.8I434 A472 F474 Q498 L499 T504 L505 N506I434-R502 HydrophobicContact CB-CG 4.1Å; I434-R502 HydrophobicContact CD1-CB 4.13Å; I434-R502 HydrophobicContact CD1-CG 3.85Å; A472-R502 VanDerWaalsContact O-CZ 3.24Å; A472-R502 PolarHBondContact O-NH1 3.3Å; A472-R502 PolarHBondContact O-NH2 3.12Å; F474-R502 HydrophobicContact CE1-CB 3.92Å; F474-R502 HydrophobicContact CE1-CG 4.4Å; F474-R502 HydrophobicContact CZ-CB 4.08Å; Q498-R502 WeakPolarHBondContact O-CB 3.3Å; Q498-R502 PolarHBondContact O-N 3.44Å; L499-R502 PolarHBondContact O-N 3.17Å; R502-T504 VanDerWaalsContact C-N 3.32Å; R502-T504 PolarHBondContact O-N 2.87Å; R502-L505 PolarHBondContact O-N 2.74Å; R502-N506 VanDerWaalsContact CD-OD1 3.27Å; R502-N506 WeakPolarHBondContact CD-OD1 3.48Å; R502-N506 WeakPolarHBondContact O-CB 3.43Å; R502-N506 VanDerWaalsContact O-CG 3.29Å; R502-N506 PolarHBondContact O-N 2.92Å; R502-N506 PolarHBondContact O-OD1 3.29Å
503Y89.1Confident81.7Confident44 Ų4440.2 Ų40.217%0.17321%0.208CC..Hα-helixtrans-54-51.5174.7179.5-97.5000110.9W404 L408 I434 L499 M500 L505 N506 V507W404-Y503 HydrophobicContact CZ2-CD1 4.39Å; W404-Y503 HydrophobicContact CZ2-CG 4.1Å; W404-Y503 AromaticContact NE1-CD1 3.84Å; L408-Y503 HydrophobicContact CD1-CE2 4.49Å; L408-Y503 HydrophobicContact CD2-CE1 4.3Å; L408-Y503 HydrophobicContact CD2-CE2 4Å; L408-Y503 WeakPolarHBondContact CD2-OH 3.44Å; I434-Y503 HydrophobicContact CG2-CD2 4.09Å; I434-Y503 HydrophobicContact CG2-CG 4.37Å; L499-Y503 WeakPolarHBondContact O-CB 3.28Å; L499-Y503 PolarHBondContact O-N 2.94Å; M500-Y503 WeakPolarHBondContact O-CB 3.26Å; M500-Y503 PolarHBondContact O-N 3.03Å; Y503-L505 VanDerWaalsContact C-N 3.34Å; Y503-L505 PolarHBondContact O-N 3.28Å; Y503-N506 PolarHBondContact O-N 3.08Å; Y503-V507 HydrophobicContact CE1-CG2 4.28Å; Y503-V507 WeakPolarHBondContact O-CG2 3.44Å; Y503-V507 PolarHBondContact O-N 3.44Å; Y503-V507 VanDerWaalsContact O-N 3.12Å
504T85.1Confident79.8Confident13 Ų1342.4 Ų42.48%0.0824%0.235CC..Hα-helixtrans-60-42.7179.6-52.90000112.1M500 R501 R502 V507 L508 A618M500-T504 WeakPolarHBondContact O-CB 3.45Å; M500-T504 PolarHBondContact O-N 3.41Å; M500-T504 PolarHBondContact O-OG1 2.85Å; R501-T504 PolarHBondContact O-N 2.94Å; R502-T504 VanDerWaalsContact C-N 3.32Å; R502-T504 PolarHBondContact O-N 2.87Å; T504-V507 PolarHBondContact O-N 2.86Å; T504-L508 PolarHBondContact O-N 3.49Å; T504-A618 HydrophobicContact CG2-CB 3.53Å
505L81.8Confident78.1Confident19 Ų1947.7 Ų47.710%0.09925%0.254CS..Hα-helixtrans-71.6-33.5179-69.4175.8000113.3R501 R502 Y503 V507 L508 S509 V517 I522 M614R501-L505 HydrophobicContact CG-CD1 4.15Å; R501-L505 WeakPolarHBondContact O-CG 3.3Å; R501-L505 PolarHBondContact O-N 3.42Å; R502-L505 PolarHBondContact O-N 2.74Å; Y503-L505 VanDerWaalsContact C-N 3.34Å; Y503-L505 PolarHBondContact O-N 3.28Å; L505-V507 VanDerWaalsContact C-N 3.35Å; L505-L508 HydrophobicContact CD2-CD1 4.44Å; L505-L508 PolarHBondContact O-N 2.96Å; L505-S509 WeakPolarHBondContact O-CB 3.4Å; L505-S509 PolarHBondContact O-N 2.89Å; L505-S509 PolarHBondContact O-OG 3.3Å; L505-V517 HydrophobicContact CD2-CB 4.13Å; L505-V517 HydrophobicContact CD2-CG1 4.04Å; L505-V517 WeakPolarHBondContact CD2-O 3.34Å; L505-I522 HydrophobicContact CD2-CD1 4.3Å; L505-M614 HydrophobicContact CD2-CE 3.9Å; L505-M614 HydrophobicContact CG-CE 4.31Å
506N80.8Confident76.7Confident34 Ų3456.8 Ų56.818%0.18229%0.293CS..Hα-helixtrans-63.6-44.3174.8-75.6-4.3000110.4I434 R502 Y503 L508 S509 D510I434-N506 PolarHBondContact O-ND2 3.05Å; R502-N506 VanDerWaalsContact CD-OD1 3.27Å; R502-N506 WeakPolarHBondContact CD-OD1 3.48Å; R502-N506 WeakPolarHBondContact O-CB 3.43Å; R502-N506 VanDerWaalsContact O-CG 3.29Å; R502-N506 PolarHBondContact O-N 2.92Å; R502-N506 PolarHBondContact O-OD1 3.29Å; Y503-N506 PolarHBondContact O-N 3.08Å; N506-L508 PolarHBondContact O-N 2.72Å; N506-S509 PolarHBondContact O-N 3.28Å; N506-S509 VanDerWaalsContact O-N 3.13Å; N506-D510 PolarHBondContact O-N 3.43Å
507V74.6Confident75.5Confident65 Ų6557.6 Ų57.639%0.39430%0.298SS..Hα-helixtrans-57.2-38.9174.4174.20000111Y503 T504 L505 L511Y503-V507 HydrophobicContact CE1-CG2 4.28Å; Y503-V507 WeakPolarHBondContact O-CG2 3.44Å; Y503-V507 PolarHBondContact O-N 3.44Å; Y503-V507 VanDerWaalsContact O-N 3.12Å; T504-V507 PolarHBondContact O-N 2.86Å; L505-V507 VanDerWaalsContact C-N 3.35Å; V507-L511 VanDerWaalsContact O-CG 3.31Å; V507-L511 WeakPolarHBondContact O-CG 3.27Å
508L73.2Confident74.8Confident3 Ų359 Ų592%0.01631%0.309CS..Hα-helixtrans-71.9-38.1175.5-73.2-179.8000113.9T504 L505 N506 D510 L511 G512 V517 I522 A618 M621 G622T504-L508 PolarHBondContact O-N 3.49Å; L505-L508 HydrophobicContact CD2-CD1 4.44Å; L505-L508 PolarHBondContact O-N 2.96Å; N506-L508 PolarHBondContact O-N 2.72Å; L508-D510 VanDerWaalsContact C-N 3.28Å; L508-D510 PolarHBondContact O-N 3.45Å; L508-L511 WeakPolarHBondContact O-CB 3.45Å; L508-L511 PolarHBondContact O-N 3.42Å; L508-G512 PolarHBondContact O-N 3.15Å; L508-G512 VanDerWaalsContact O-N 3.1Å; L508-V517 HydrophobicContact CB-CB 4.49Å; L508-V517 HydrophobicContact CB-CG2 4.11Å; L508-V517 HydrophobicContact CD1-CG1 4Å; L508-I522 HydrophobicContact CD1-CD1 4.38Å; L508-I522 HydrophobicContact CD1-CG1 4.49Å; L508-A618 HydrophobicContact CD1-CB 3.83Å; L508-A618 WeakPolarHBondContact CD2-O 3.42Å; L508-M621 HydrophobicContact CD1-SD 4.42Å; L508-M621 HydrophobicContact CD2-CB 4.14Å; L508-M621 HydrophobicContact CD2-CG 4.06Å; L508-G622 VanDerWaalsContact CD2-CA 3.4Å; L508-G622 VanDerWaalsContact CD2-N 3.28Å
509S68.8Low74.4Confident37 Ų3760.1 Ų60.126%0.25932%0.315SS..Hα-helixtrans-66.5-33-179.1-56.60000111.7L505 N506 L511 G512L505-S509 WeakPolarHBondContact O-CB 3.4Å; L505-S509 PolarHBondContact O-N 2.89Å; L505-S509 PolarHBondContact O-OG 3.3Å; N506-S509 PolarHBondContact O-N 3.28Å; N506-S509 VanDerWaalsContact O-N 3.13Å; S509-L511 PolarHBondContact O-N 3.12Å; S509-G512 PolarHBondContact O-N 3.22Å
510D63.1Low74.1Confident77 Ų7767.2 Ų67.241%0.41235%0.349SS..THydrogen-bonded Turntrans-65.4-22.3173-68.5-21.3000112.8R435 N506 L508R435-D510 IonicContact CZ-OD1 3.18Å; R435-D510 IonicContact CZ-OD2 2.86Å; R435-D510 IonicContact NH1-OD1 2.57Å; R435-D510 PolarHBondContact NH1-OD1 3.36Å; R435-D510 IonicContact NH1-OD2 3.25Å; R435-D510 PolarHBondContact NH1-OD2 3.49Å; R435-D510 IonicContact NH2-OD1 2.77Å; R435-D510 PolarHBondContact NH2-OD1 3.35Å; R435-D510 IonicContact NH2-OD2 2.88Å; R435-D510 PolarHBondContact NH2-OD2 3.34Å; N506-D510 PolarHBondContact O-N 3.43Å; L508-D510 VanDerWaalsContact C-N 3.28Å; L508-D510 PolarHBondContact O-N 3.45Å
511L58.3Low73.9Confident32 Ų3269.3 Ų69.317%0.16836%0.359CS..THydrogen-bonded Turntrans-93.4-29.4-178.2-60179000112.7V507 L508 S509 G622 L625 N626 K629V507-L511 VanDerWaalsContact O-CG 3.31Å; V507-L511 WeakPolarHBondContact O-CG 3.27Å; L508-L511 WeakPolarHBondContact O-CB 3.45Å; L508-L511 PolarHBondContact O-N 3.42Å; S509-L511 PolarHBondContact O-N 3.12Å; L511-G622 VanDerWaalsContact CD1-O 3.29Å; L511-G622 WeakPolarHBondContact CD1-O 3.2Å; L511-L625 HydrophobicContact CB-CB 4.44Å; L511-N626 WeakPolarHBondContact CD1-ND2 3.27Å; L511-N626 WeakPolarHBondContact CD2-OD1 3.26Å; L511-K629 PolarHBondContact O-NZ 2.75Å
512G55.7Low74Confident33 Ų3365.3 Ų65.334%0.3434%0.344SS..THydrogen-bonded Turntrans-84.8170.7175.300000114.2L508 S509 G514L508-G512 PolarHBondContact O-N 3.15Å; L508-G512 VanDerWaalsContact O-N 3.1Å; S509-G512 PolarHBondContact O-N 3.22Å; G512-G514 PolarHBondContact O-N 2.77Å
513E54.2Low74.3Confident205 Ų20563.2 Ų63.296%0.95834%0.338SS*.THydrogen-bonded Turntrans-76.738.9177.2-62.2-174.3169.300113E515E513-E515 PolarHBondContact O-N 3.3Å
514G53.8Low74.6Confident65 Ų6567.4 Ų67.467%0.6736%0.357SS*.SBendtrans80.87.117700000116.3G512G512-G514 PolarHBondContact O-N 2.77Å
515E57.9Low75Confident142 Ų14268.3 Ų68.366%0.66436%0.359SS*.  trans-72.1136.6171.9-72.3-165.1158.700112E513 V517E513-E515 PolarHBondContact O-N 3.3Å; E515-V517 PolarHBondContact O-N 3.34Å
516K65.6Low75.7Confident192 Ų19267.4 Ų67.484%0.83536%0.355SS*.  trans-67.8104.1173.3-74.4-176.6179.7176.20109.8N518 I521K516-N518 PolarHBondContact O-N 2.82Å; K516-I521 VanDerWaalsContact O-CD1 3.3Å; K516-I521 WeakPolarHBondContact O-CD1 3.46Å
517V71.2Confident76.6Confident19 Ų1967.9 Ų67.912%0.11536%0.357CS..  trans-67125.7176.6-175.20000110.1L505 L508 E515 I521 I522L505-V517 HydrophobicContact CD2-CB 4.13Å; L505-V517 HydrophobicContact CD2-CG1 4.04Å; L505-V517 WeakPolarHBondContact CD2-O 3.34Å; L508-V517 HydrophobicContact CB-CB 4.49Å; L508-V517 HydrophobicContact CB-CG2 4.11Å; L508-V517 HydrophobicContact CD1-CG1 4Å; E515-V517 PolarHBondContact O-N 3.34Å; V517-I521 HydrophobicContact CG1-CB 4.44Å; V517-I521 HydrophobicContact CG1-CG2 4.18Å; V517-I522 HydrophobicContact CG1-CD1 4.07Å; V517-I522 HydrophobicContact CG1-CG1 3.66Å
518N78.9Confident77.6Confident65 Ų6569.6 Ų69.635%0.34836%0.361SS..  trans-122.5174.7172.470.712.9000110.2K516 E520 I521 I522K516-N518 PolarHBondContact O-N 2.82Å; N518-E520 VanDerWaalsContact C-N 3.25Å; N518-E520 PolarHBondContact O-N 2.78Å; N518-E520 PolarHBondContact OD1-N 3.35Å; N518-I521 PolarHBondContact O-N 3.08Å; N518-I521 VanDerWaalsContact O-N 3.16Å; N518-I521 VanDerWaalsContact OD1-CG1 3.28Å; N518-I521 WeakPolarHBondContact OD1-CG1 3.26Å; N518-I521 PolarHBondContact OD1-N 3.29Å; N518-I522 PolarHBondContact O-N 3.24Å
519D85.5Confident78.7Confident58 Ų5870.8 Ų70.831%0.3137%0.368SS..Hα-helixtrans-57.1-38-176.8-63.920000112.4R501 I522 I523 F542R501-D519 IonicContact CZ-OD1 2.73Å; R501-D519 IonicContact NE-OD1 2.71Å; R501-D519 IonicContact NH2-OD1 3.2Å; R501-D519 PolarHBondContact NH2-OD1 2.98Å; R501-D519 IonicContact NH2-OD2 3.41Å; D519-I522 PolarHBondContact O-N 2.89Å; D519-I523 WeakPolarHBondContact O-CD1 3.22Å; D519-I523 WeakPolarHBondContact O-CG1 3.06Å; D519-I523 PolarHBondContact O-N 3.43Å; D519-F542 HydrophobicContact CB-CD2 4.46Å; D519-F542 HydrophobicContact CB-CE2 3.75Å
520E88.3Confident80Confident149 Ų14969.1 Ų69.170%0.69636%0.356SS*.Hα-helixtrans-66.3-40.8178.8-63178.3175.800112.3N518 I522 I523 K524N518-E520 VanDerWaalsContact C-N 3.25Å; N518-E520 PolarHBondContact O-N 2.78Å; N518-E520 PolarHBondContact OD1-N 3.35Å; E520-I522 VanDerWaalsContact C-N 3.33Å; E520-I522 PolarHBondContact O-N 3.39Å; E520-I523 PolarHBondContact O-N 2.72Å; E520-K524 VanDerWaalsContact O-CB 3.28Å; E520-K524 WeakPolarHBondContact O-CB 3.37Å; E520-K524 PolarHBondContact O-N 2.97Å
521I89.1Confident81.7Confident48 Ų4873.5 Ų73.525%0.24637%0.372CS..Hα-helixtrans-62.1-43.4176.7-70.3164.5000110.2K516 V517 N518 K524 W525 M621K516-I521 VanDerWaalsContact O-CD1 3.3Å; K516-I521 WeakPolarHBondContact O-CD1 3.46Å; V517-I521 HydrophobicContact CG1-CB 4.44Å; V517-I521 HydrophobicContact CG1-CG2 4.18Å; N518-I521 PolarHBondContact O-N 3.08Å; N518-I521 VanDerWaalsContact O-N 3.16Å; N518-I521 VanDerWaalsContact OD1-CG1 3.28Å; N518-I521 WeakPolarHBondContact OD1-CG1 3.26Å; N518-I521 PolarHBondContact OD1-N 3.29Å; I521-K524 PolarHBondContact O-N 3.12Å; I521-W525 WeakPolarHBondContact O-CB 3.47Å; I521-W525 PolarHBondContact O-N 2.87Å; I521-M621 HydrophobicContact CG2-CE 4.26Å
522I91.4Very high83.4Confident0 Ų076.8 Ų76.80%040%0.397CS..Hα-helixtrans-63.1-49.1178.3-61.5164.9000110.1L505 L508 V517 N518 D519 E520 K524 W525 V526 F542 M614 F617 A618 M621L505-I522 HydrophobicContact CD2-CD1 4.3Å; L508-I522 HydrophobicContact CD1-CD1 4.38Å; L508-I522 HydrophobicContact CD1-CG1 4.49Å; V517-I522 HydrophobicContact CG1-CD1 4.07Å; V517-I522 HydrophobicContact CG1-CG1 3.66Å; N518-I522 PolarHBondContact O-N 3.24Å; D519-I522 PolarHBondContact O-N 2.89Å; E520-I522 VanDerWaalsContact C-N 3.33Å; E520-I522 PolarHBondContact O-N 3.39Å; I522-K524 VanDerWaalsContact C-N 3.33Å; I522-K524 PolarHBondContact O-N 3.29Å; I522-W525 PolarHBondContact O-N 3.07Å; I522-V526 HydrophobicContact CG2-CG2 4.41Å; I522-V526 VanDerWaalsContact O-CG2 3.31Å; I522-V526 WeakPolarHBondContact O-CG2 3.15Å; I522-V526 PolarHBondContact O-N 3.08Å; I522-F542 HydrophobicContact CB-CZ 3.99Å; I522-F542 HydrophobicContact CG2-CE1 4.13Å; I522-F542 HydrophobicContact CG2-CZ 3.77Å; I522-M614 HydrophobicContact CD1-CE 3.7Å; I522-F617 HydrophobicContact CG2-CB 3.94Å; I522-A618 HydrophobicContact CD1-CB 4.11Å; I522-M621 HydrophobicContact CB-SD 4.42Å; I522-M621 HydrophobicContact CG1-SD 4.02Å
523I94.8Very high85.3Confident28 Ų2877 Ų7714%0.14440%0.397CS..Hα-helixtrans-60.6-43.7179.5-68.4160.9000111D519 E520 V526 N527 I539 F542D519-I523 WeakPolarHBondContact O-CD1 3.22Å; D519-I523 WeakPolarHBondContact O-CG1 3.06Å; D519-I523 PolarHBondContact O-N 3.43Å; E520-I523 PolarHBondContact O-N 2.72Å; I523-V526 PolarHBondContact O-N 2.98Å; I523-N527 PolarHBondContact O-N 3.45Å; I523-N527 PolarHBondContact O-ND2 3.24Å; I523-I539 HydrophobicContact CG2-CG1 4.47Å; I523-F542 HydrophobicContact CD1-CD2 4.44Å; I523-F542 HydrophobicContact CD1-CE2 4.24Å; I523-F542 HydrophobicContact CD1-CZ 4.29Å; I523-F542 HydrophobicContact CG1-CD1 4.36Å; I523-F542 HydrophobicContact CG1-CE1 3.86Å; I523-F542 HydrophobicContact CG1-CE2 4.27Å; I523-F542 HydrophobicContact CG1-CZ 3.82Å
524K94.9Very high87.3Confident131 Ų13174.4 Ų74.457%0.5739%0.389SS*.Hα-helixtrans-60.3-46.8176.8-176.3-179.6176.7-173.90111E520 I521 I522 N527 Q528E520-K524 VanDerWaalsContact O-CB 3.28Å; E520-K524 WeakPolarHBondContact O-CB 3.37Å; E520-K524 PolarHBondContact O-N 2.97Å; I521-K524 PolarHBondContact O-N 3.12Å; I522-K524 VanDerWaalsContact C-N 3.33Å; I522-K524 PolarHBondContact O-N 3.29Å; K524-N527 PolarHBondContact O-N 2.84Å; K524-Q528 HydrophobicContact CG-CG 4.43Å; K524-Q528 WeakPolarHBondContact O-CB 3.41Å; K524-Q528 VanDerWaalsContact O-CG 3.24Å; K524-Q528 WeakPolarHBondContact O-CG 3.43Å; K524-Q528 PolarHBondContact O-N 2.9Å
525W94.1Very high89.3Confident32 Ų3273.9 Ų73.912%0.12137%0.368CS..Hα-helixtrans-61.3-44.1177.8177.687.6000112.2I521 I522 N527 Q528 T529 L556 I560 M621I521-W525 WeakPolarHBondContact O-CB 3.47Å; I521-W525 PolarHBondContact O-N 2.87Å; I522-W525 PolarHBondContact O-N 3.07Å; W525-N527 PolarHBondContact O-N 2.96Å; W525-Q528 PolarHBondContact O-N 2.91Å; W525-T529 HydrophobicContact CH2-CG2 4.45Å; W525-T529 HydrophobicContact CZ2-CG2 4.41Å; W525-T529 WeakPolarHBondContact O-CB 3.4Å; W525-T529 PolarHBondContact O-N 3.2Å; W525-T529 PolarHBondContact O-OG1 3.31Å; W525-L556 HydrophobicContact CH2-CD1 4.19Å; W525-L556 HydrophobicContact CZ3-CD1 3.97Å; W525-L556 HydrophobicContact CZ3-CD2 4.19Å; W525-I560 HydrophobicContact CH2-CD1 3.8Å; W525-I560 HydrophobicContact CH2-CG1 4.02Å; W525-M621 HydrophobicContact CB-CE 3.95Å; W525-M621 HydrophobicContact CB-SD 4.05Å; W525-M621 HydrophobicContact CD2-CB 4.07Å; W525-M621 HydrophobicContact CD2-CE 4.4Å; W525-M621 HydrophobicContact CD2-CG 3.62Å; W525-M621 HydrophobicContact CD2-SD 4.05Å; W525-M621 HydrophobicContact CE3-CB 3.63Å; W525-M621 HydrophobicContact CE3-CG 3.71Å; W525-M621 HydrophobicContact CE3-SD 4.19Å; W525-M621 HydrophobicContact CG-CE 3.84Å; W525-M621 HydrophobicContact CG-CG 4.06Å; W525-M621 HydrophobicContact CG-SD 3.97Å; W525-M621 VanDerWaalsContact CH2-CA 3.44Å; W525-M621 HydrophobicContact CH2-CB 4.08Å; W525-M621 HydrophobicContact CH2-CG 4.43Å; W525-M621 HydrophobicContact CZ2-CB 4.45Å; W525-M621 HydrophobicContact CZ2-CG 4.33Å; W525-M621 VanDerWaalsContact CZ3-CA 3.46Å; W525-M621 HydrophobicContact CZ3-CB 3.63Å; W525-M621 HydrophobicContact CZ3-CG 4.13Å
526V96.4Very high91Very high0 Ų077.1 Ų77.10%038%0.38CS..Hα-helixtrans-57.1-52.7176.9168.10000110.5I522 I523 Q528 T529 L530 I539 L556 F617I522-V526 HydrophobicContact CG2-CG2 4.41Å; I522-V526 VanDerWaalsContact O-CG2 3.31Å; I522-V526 WeakPolarHBondContact O-CG2 3.15Å; I522-V526 PolarHBondContact O-N 3.08Å; I523-V526 PolarHBondContact O-N 2.98Å; V526-Q528 PolarHBondContact O-N 3.13Å; V526-T529 PolarHBondContact O-N 3.07Å; V526-L530 HydrophobicContact CG1-CD1 3.75Å; V526-L530 HydrophobicContact CG1-CG 4.47Å; V526-L530 WeakPolarHBondContact O-CB 3.44Å; V526-L530 VanDerWaalsContact O-CG 3.31Å; V526-L530 WeakPolarHBondContact O-CG 3.42Å; V526-L530 PolarHBondContact O-N 3.37Å; V526-I539 HydrophobicContact CB-CD1 4.38Å; V526-I539 HydrophobicContact CG1-CD1 3.93Å; V526-I539 HydrophobicContact CG1-CG1 4Å; V526-L556 HydrophobicContact CG1-CD2 4.14Å; V526-L556 HydrophobicContact CG2-CD2 3.95Å; V526-F617 HydrophobicContact CG1-CD1 4.13Å; V526-F617 HydrophobicContact CG1-CE1 3.96Å; V526-F617 HydrophobicContact CG2-CB 4.17Å; V526-F617 HydrophobicContact CG2-CD1 3.54Å; V526-F617 HydrophobicContact CG2-CE1 4.23Å; V526-F617 HydrophobicContact CG2-CG 4.08Å
527N97.8Very high92.4Very high44 Ų4469.4 Ų69.424%0.23535%0.349CS..Hα-helixtrans-66.9-36.2-177.9-70.9-36.8000112.7I523 K524 W525 K531 S538 I539I523-N527 PolarHBondContact O-N 3.45Å; I523-N527 PolarHBondContact O-ND2 3.24Å; K524-N527 PolarHBondContact O-N 2.84Å; W525-N527 PolarHBondContact O-N 2.96Å; N527-K531 VanDerWaalsContact O-CB 3.25Å; N527-K531 WeakPolarHBondContact O-CB 3.13Å; N527-K531 PolarHBondContact O-N 3.45Å; N527-S538 WeakPolarHBondContact OD1-CA 3.49Å; N527-S538 WeakPolarHBondContact OD1-CB 3.45Å; N527-I539 PolarHBondContact ND2-O 2.8Å; N527-I539 PolarHBondContact OD1-N 2.99Å; N527-I539 PolarHBondContact OD1-O 3.46Å
528Q96.4Very high93.6Very high102 Ų10272.1 Ų72.148%0.47737%0.369SS..Hα-helixtrans-65.5-42.5174.4-76.2177.3-24.900111.7K524 W525 V526 K531 S532K524-Q528 HydrophobicContact CG-CG 4.43Å; K524-Q528 WeakPolarHBondContact O-CB 3.41Å; K524-Q528 VanDerWaalsContact O-CG 3.24Å; K524-Q528 WeakPolarHBondContact O-CG 3.43Å; K524-Q528 PolarHBondContact O-N 2.9Å; W525-Q528 PolarHBondContact O-N 2.91Å; V526-Q528 PolarHBondContact O-N 3.13Å; Q528-K531 PolarHBondContact O-N 3.42Å; Q528-S532 WeakPolarHBondContact O-CB 3.24Å; Q528-S532 PolarHBondContact O-N 3.32Å; Q528-S532 PolarHBondContact O-OG 3.48Å
529T96.4Very high94.5Very high28 Ų2869.1 Ų69.117%0.17235%0.353CS..Hα-helixtrans-64-48.1178.3-58.80000110.9W525 V526 K531 S532 A533 L556 A559 I560W525-T529 HydrophobicContact CH2-CG2 4.45Å; W525-T529 HydrophobicContact CZ2-CG2 4.41Å; W525-T529 WeakPolarHBondContact O-CB 3.4Å; W525-T529 PolarHBondContact O-N 3.2Å; W525-T529 PolarHBondContact O-OG1 3.31Å; V526-T529 PolarHBondContact O-N 3.07Å; T529-K531 PolarHBondContact O-N 3.38Å; T529-S532 PolarHBondContact O-N 2.63Å; T529-A533 PolarHBondContact O-N 3.2Å; T529-A533 VanDerWaalsContact O-N 3.08Å; T529-L556 HydrophobicContact CG2-CD1 3.75Å; T529-A559 HydrophobicContact CG2-CB 4.02Å; T529-I560 HydrophobicContact CG2-CG1 4.45Å
530L97.1Very high95Very high1 Ų170.7 Ų70.71%0.00537%0.368CS..Hα-helixtrans-59.2-46.3176.3-72.4169.9000111.9V526 A533 N534 K535 T537 D555 L556V526-L530 HydrophobicContact CG1-CD1 3.75Å; V526-L530 HydrophobicContact CG1-CG 4.47Å; V526-L530 WeakPolarHBondContact O-CB 3.44Å; V526-L530 VanDerWaalsContact O-CG 3.31Å; V526-L530 WeakPolarHBondContact O-CG 3.42Å; V526-L530 PolarHBondContact O-N 3.37Å; L530-A533 CarbonylContact O-C 3.47Å; L530-A533 PolarHBondContact O-N 3.45Å; L530-N534 PolarHBondContact O-N 2.67Å; L530-K535 HydrophobicContact CB-CB 4.21Å; L530-K535 HydrophobicContact CD2-CB 3.88Å; L530-K535 HydrophobicContact CD2-CG 4.03Å; L530-K535 WeakPolarHBondContact O-CB 3.43Å; L530-K535 PolarHBondContact O-N 2.76Å; L530-T537 WeakPolarHBondContact CD1-O 3.09Å; L530-D555 HydrophobicContact CD2-CB 3.87Å; L530-L556 HydrophobicContact CD2-CB 4.01Å; L530-L556 HydrophobicContact CG-CD1 4.36Å
531K97.1Very high95.4Very high169 Ų16965.6 Ų65.674%0.73535%0.349SS*.Hα-helixtrans-63.2-42.9178.6-173.4178.3-179.1-179.30112N527 Q528 T529 A533 N534N527-K531 VanDerWaalsContact O-CB 3.25Å; N527-K531 WeakPolarHBondContact O-CB 3.13Å; N527-K531 PolarHBondContact O-N 3.45Å; Q528-K531 PolarHBondContact O-N 3.42Å; T529-K531 PolarHBondContact O-N 3.38Å; K531-A533 PolarHBondContact O-N 2.85Å; K531-N534 PolarHBondContact O-N 2.92Å
532S95.7Very high95.8Very high101 Ų10164 Ų6471%0.70634%0.34SS*.Hα-helixtrans-64.2-31.3179.2-56.70000112.1Q528 T529 N534Q528-S532 WeakPolarHBondContact O-CB 3.24Å; Q528-S532 PolarHBondContact O-N 3.32Å; Q528-S532 PolarHBondContact O-OG 3.48Å; T529-S532 PolarHBondContact O-N 2.63Å; S532-N534 VanDerWaalsContact C-N 3.3Å
533A95.2Very high96Very high39 Ų3971.3 Ų71.332%0.32237%0.372SS..THydrogen-bonded Turntrans-87.310.9174.100000113.9T529 L530 K531 K535 A559T529-A533 PolarHBondContact O-N 3.2Å; T529-A533 VanDerWaalsContact O-N 3.08Å; L530-A533 CarbonylContact O-C 3.47Å; L530-A533 PolarHBondContact O-N 3.45Å; K531-A533 PolarHBondContact O-N 2.85Å; A533-K535 HydrophobicContact CB-CG 4.13Å; A533-K535 PolarHBondContact O-N 3.32Å; A533-A559 HydrophobicContact CB-CB 3.48Å; A533-A559 VanDerWaalsContact CB-CB 3.48Å
534N96Very high96.1Very high149 Ų14971.5 Ų71.580%0.79737%0.374SS*.THydrogen-bonded Turntrans54.633-177.7-62.2-56.5000114.1L530 K531 S532L530-N534 PolarHBondContact O-N 2.67Å; K531-N534 PolarHBondContact O-N 2.92Å; S532-N534 VanDerWaalsContact C-N 3.3Å
535K95.4Very high96.2Very high54 Ų5473.7 Ų73.724%0.23538%0.383CS..  trans-81147.3173.5-58.3-60.2-175.81800110.6L530 A533 D555 D558L530-K535 HydrophobicContact CB-CB 4.21Å; L530-K535 HydrophobicContact CD2-CB 3.88Å; L530-K535 HydrophobicContact CD2-CG 4.03Å; L530-K535 WeakPolarHBondContact O-CB 3.43Å; L530-K535 PolarHBondContact O-N 2.76Å; A533-K535 HydrophobicContact CB-CG 4.13Å; A533-K535 PolarHBondContact O-N 3.32Å; K535-D555 HydrophobicContact CB-CB 4.27Å; K535-D555 HydrophobicContact CD-CB 4.13Å; K535-D555 HydrophobicContact CG-CB 4.1Å; K535-D558 WeakPolarHBondContact CE-OD2 3.24Å; K535-D558 IonicContact NZ-OD2 3.42Å; K535-D558 PolarHBondContact NZ-OD2 2.97Å
536K92.8Very high96.4Very high211 Ų21174.2 Ų74.292%0.91739%0.392SS*.SBendtrans-86-22.5-178.6-65-177.3-179178.10113.1
537T96.2Very high96.4Very high30 Ų3074.2 Ų74.218%0.18439%0.392CS..  trans-73.9149.1179.952.60000111.5L530 L551 P552 D555L530-T537 WeakPolarHBondContact CD1-O 3.09Å; T537-L551 HydrophobicContact CG2-CB 4.24Å; T537-P552 HydrophobicContact CG2-CG 4.37Å; T537-D555 WeakPolarHBondContact CG2-OD2 3.39Å; T537-D555 WeakPolarHBondContact OG1-CB 3.37Å; T537-D555 PolarHBondContact OG1-OD2 3.16Å
538S96.8Very high96.4Very high75 Ų7573.2 Ų73.252%0.52439%0.388SS..  trans-152.5159.3171600000109.1N527N527-S538 WeakPolarHBondContact OD1-CA 3.49Å; N527-S538 WeakPolarHBondContact OD1-CB 3.45Å
539I97.6Very high96.5Very high3 Ų369.6 Ų69.62%0.01537%0.373CS..  trans-122.4138.5174.759.5169000110.7I523 V526 N527 D544 I547 P552 F617I523-I539 HydrophobicContact CG2-CG1 4.47Å; V526-I539 HydrophobicContact CB-CD1 4.38Å; V526-I539 HydrophobicContact CG1-CD1 3.93Å; V526-I539 HydrophobicContact CG1-CG1 4Å; N527-I539 PolarHBondContact ND2-O 2.8Å; N527-I539 PolarHBondContact OD1-N 2.99Å; N527-I539 PolarHBondContact OD1-O 3.46Å; I539-D544 HydrophobicContact CB-CB 4.37Å; I539-I547 HydrophobicContact CG2-CD1 4.01Å; I539-I547 HydrophobicContact CG2-CG1 3.77Å; I539-P552 HydrophobicContact CG2-CB 3.86Å; I539-P552 HydrophobicContact CG2-CG 4.21Å; I539-F617 HydrophobicContact CD1-CD2 4.18Å; I539-F617 HydrophobicContact CD1-CE1 4.26Å; I539-F617 HydrophobicContact CD1-CE2 3.86Å; I539-F617 HydrophobicContact CD1-CZ 3.91Å; I539-F617 HydrophobicContact CG2-CZ 4.45Å
540S96.2Very high96.6Very high91 Ų9168.3 Ų68.364%0.63637%0.365SS*.SBendtrans-87.2-30.2174.857.50000113D544S540-D544 WeakPolarHBondContact CB-OD2 3.45Å; S540-D544 PolarHBondContact N-OD2 3.22Å; S540-D544 PolarHBondContact OG-OD2 3Å
541S96.8Very high96.6Very high42 Ų4269.2 Ų69.229%0.29437%0.37SS..SBendtrans-162.2173.6178.168.50000110.2K543 D544S541-K543 PolarHBondContact O-N 2.97Å; S541-K543 VanDerWaalsContact O-N 3.15Å; S541-K543 PolarHBondContact OG-N 2.81Å; S541-K543 VanDerWaalsContact OG-N 3.16Å; S541-D544 WeakPolarHBondContact O-CB 3.44Å; S541-D544 PolarHBondContact O-N 3.29Å; S541-D544 VanDerWaalsContact O-N 3.13Å
542F95.8Very high96.6Very high13 Ų1361.2 Ų61.26%0.05734%0.335CS..THydrogen-bonded Turntrans-70.7-0.2170.2-56.4-50.6000114.2D519 I522 I523 P610 V613 M614 F617D519-F542 HydrophobicContact CB-CD2 4.46Å; D519-F542 HydrophobicContact CB-CE2 3.75Å; I522-F542 HydrophobicContact CB-CZ 3.99Å; I522-F542 HydrophobicContact CG2-CE1 4.13Å; I522-F542 HydrophobicContact CG2-CZ 3.77Å; I523-F542 HydrophobicContact CD1-CD2 4.44Å; I523-F542 HydrophobicContact CD1-CE2 4.24Å; I523-F542 HydrophobicContact CD1-CZ 4.29Å; I523-F542 HydrophobicContact CG1-CD1 4.36Å; I523-F542 HydrophobicContact CG1-CE1 3.86Å; I523-F542 HydrophobicContact CG1-CE2 4.27Å; I523-F542 HydrophobicContact CG1-CZ 3.82Å; F542-P610 HydrophobicContact CB-CB 4.43Å; F542-V613 HydrophobicContact CB-CB 4.45Å; F542-V613 HydrophobicContact CB-CG1 3.98Å; F542-V613 HydrophobicContact CD1-CG1 4.04Å; F542-V613 HydrophobicContact CG-CG1 4.43Å; F542-M614 HydrophobicContact CD1-CB 4.34Å; F542-M614 HydrophobicContact CD2-CB 3.6Å; F542-M614 HydrophobicContact CD2-CG 3.8Å; F542-M614 HydrophobicContact CE1-CB 4.42Å; F542-M614 HydrophobicContact CE2-CB 3.68Å; F542-M614 HydrophobicContact CE2-CG 3.37Å; F542-M614 HydrophobicContact CG-CB 3.94Å; F542-M614 HydrophobicContact CZ-CB 4.1Å; F542-M614 HydrophobicContact CZ-CG 3.81Å; F542-F617 AromaticContact CD1-CD2 3.95Å; F542-F617 HydrophobicContact CD1-CD2 3.95Å; F542-F617 HydrophobicContact CE1-CB 4.06Å; F542-F617 AromaticContact CE1-CD2 3.93Å; F542-F617 HydrophobicContact CE1-CD2 3.93Å; F542-F617 HydrophobicContact CE1-CG 4.3Å
543K97Very high96.8Very high154 Ų15456.5 Ų56.567%0.6730%0.302SS*.THydrogen-bonded Turntrans-102.14.6172.4-66.9175.8179.8-177.10112.5S541 K545 P610S541-K543 PolarHBondContact O-N 2.97Å; S541-K543 VanDerWaalsContact O-N 3.15Å; S541-K543 PolarHBondContact OG-N 2.81Å; S541-K543 VanDerWaalsContact OG-N 3.16Å; K543-K545 PolarHBondContact O-N 3.04Å; K543-P610 HydrophobicContact CD-CG 4.38Å; K543-P610 HydrophobicContact CG-CB 3.99Å; K543-P610 HydrophobicContact CG-CG 3.52Å
544D97.4Very high96.9Very high32 Ų3254.6 Ų54.617%0.17129%0.287CS..  trans-65.3121.1-176-165.5-49.5000111.1I539 S540 S541 S546 I547I539-D544 HydrophobicContact CB-CB 4.37Å; S540-D544 WeakPolarHBondContact CB-OD2 3.45Å; S540-D544 PolarHBondContact N-OD2 3.22Å; S540-D544 PolarHBondContact OG-OD2 3Å; S541-D544 WeakPolarHBondContact O-CB 3.44Å; S541-D544 PolarHBondContact O-N 3.29Å; S541-D544 VanDerWaalsContact O-N 3.13Å; D544-S546 PolarHBondContact O-N 3.44Å; D544-S546 VanDerWaalsContact O-N 3.12Å; D544-S546 VanDerWaalsContact OD1-CB 3.31Å; D544-S546 WeakPolarHBondContact OD1-CB 3.44Å; D544-S546 PolarHBondContact OD1-N 3.07Å; D544-S546 PolarHBondContact OD1-OG 3.32Å; D544-I547 HydrophobicContact CB-CD1 3.96Å; D544-I547 HydrophobicContact CB-CG1 4.25Å; D544-I547 VanDerWaalsContact O-CB 3.27Å; D544-I547 WeakPolarHBondContact O-CB 3.41Å; D544-I547 VanDerWaalsContact O-CG1 3.28Å; D544-I547 WeakPolarHBondContact O-CG1 3.34Å; D544-I547 PolarHBondContact O-N 3.28Å
545K96.8Very high96.9Very high177 Ų17747.8 Ų47.877%0.7725%0.25SS*.G310 helixtrans-62.1-22.2-176.1-68.8-169.9177.1-1740113.2K543 I547 S548K543-K545 PolarHBondContact O-N 3.04Å; K545-I547 PolarHBondContact O-N 3.49Å; K545-S548 WeakPolarHBondContact O-CB 3.16Å; K545-S548 PolarHBondContact O-N 3.4Å; K545-S548 VanDerWaalsContact O-N 3.13Å; K545-S548 PolarHBondContact O-OG 3.39Å
546S96.6Very high97Very high44 Ų4445.2 Ų45.231%0.30824%0.239SC..G310 helixtrans-60.8-25.1175.563.30000112.8D544 S548 T549D544-S546 PolarHBondContact O-N 3.44Å; D544-S546 VanDerWaalsContact O-N 3.12Å; D544-S546 VanDerWaalsContact OD1-CB 3.31Å; D544-S546 WeakPolarHBondContact OD1-CB 3.44Å; D544-S546 PolarHBondContact OD1-N 3.07Å; D544-S546 PolarHBondContact OD1-OG 3.32Å; S546-S548 PolarHBondContact O-N 3.24Å; S546-T549 PolarHBondContact O-N 3.35Å; S546-T549 PolarHBondContact O-OG1 3.05Å
547I98.1Very high97.2Very high0 Ų035.2 Ų35.20%020%0.195CC..G310 helixtrans-63.7-28177.9-60.1168.7000111.5I539 D544 K545 T549 S550 L605 V608 V613 F617I539-I547 HydrophobicContact CG2-CD1 4.01Å; I539-I547 HydrophobicContact CG2-CG1 3.77Å; D544-I547 HydrophobicContact CB-CD1 3.96Å; D544-I547 HydrophobicContact CB-CG1 4.25Å; D544-I547 VanDerWaalsContact O-CB 3.27Å; D544-I547 WeakPolarHBondContact O-CB 3.41Å; D544-I547 VanDerWaalsContact O-CG1 3.28Å; D544-I547 WeakPolarHBondContact O-CG1 3.34Å; D544-I547 PolarHBondContact O-N 3.28Å; K545-I547 PolarHBondContact O-N 3.49Å; I547-T549 PolarHBondContact O-N 3.03Å; I547-S550 WeakPolarHBondContact O-CA 3.46Å; I547-S550 PolarHBondContact O-N 3.36Å; I547-L605 HydrophobicContact CG2-CD2 4.3Å; I547-V608 HydrophobicContact CB-CG1 4.29Å; I547-V608 HydrophobicContact CB-CG2 4.42Å; I547-V608 HydrophobicContact CD1-CG1 4.49Å; I547-V613 HydrophobicContact CD1-CG1 3.72Å; I547-V613 HydrophobicContact CG2-CG1 4.1Å; I547-V613 HydrophobicContact CG2-CG2 4.08Å; I547-F617 HydrophobicContact CD1-CE2 4.1Å; I547-F617 HydrophobicContact CG1-CE2 4.49Å
548S97.7Very high97.2Very high22 Ų2235 Ų3515%0.15419%0.193CC..G310 helixtrans-57-22.8176.266.10000113.8K545 S546 S550 K580 L605 V606K545-S548 WeakPolarHBondContact O-CB 3.16Å; K545-S548 PolarHBondContact O-N 3.4Å; K545-S548 VanDerWaalsContact O-N 3.13Å; K545-S548 PolarHBondContact O-OG 3.39Å; S546-S548 PolarHBondContact O-N 3.24Å; S548-S550 VanDerWaalsContact C-N 3.32Å; S548-K580 WeakPolarHBondContact O-CB 3.48Å; S548-K580 WeakPolarHBondContact O-CG 3.35Å; S548-L605 WeakPolarHBondContact CA-O 3.47Å; S548-V606 WeakPolarHBondContact CB-O 3.12Å
549T97.6Very high97.2Very high27 Ų2732.6 Ų32.617%0.16618%0.178CC..G310 helixtrans-82.1-11.6176.768.90000113.6S546 I547 L551 L575 N583S546-T549 PolarHBondContact O-N 3.35Å; S546-T549 PolarHBondContact O-OG1 3.05Å; I547-T549 PolarHBondContact O-N 3.03Å; T549-L551 PolarHBondContact O-N 3.14Å; T549-L551 WeakPolarHBondContact OG1-CB 3.45Å; T549-L551 WeakPolarHBondContact OG1-CG 3.26Å; T549-L551 PolarHBondContact OG1-N 3.16Å; T549-L575 HydrophobicContact CG2-CD1 3.71Å; T549-N583 PolarHBondContact O-ND2 3.4Å
550S98.1Very high97Very high0 Ų033 Ų330%018%0.18CC..SBendtrans56.33.1-167-60.20000115.5I547 S548 V553 L554 A584I547-S550 WeakPolarHBondContact O-CA 3.46Å; I547-S550 PolarHBondContact O-N 3.36Å; S548-S550 VanDerWaalsContact C-N 3.32Å; S550-V553 WeakPolarHBondContact O-CB 3.3Å; S550-V553 PolarHBondContact O-N 2.97Å; S550-V553 VanDerWaalsContact O-N 3.17Å; S550-L554 WeakPolarHBondContact O-CG 3.38Å; S550-L554 PolarHBondContact O-N 3.45Å; S550-A584 VanDerWaalsContact OG-CA 3.26Å; S550-A584 WeakPolarHBondContact OG-CA 3.21Å; S550-A584 VanDerWaalsContact OG-CB 3.3Å; S550-A584 WeakPolarHBondContact OG-CB 3.41Å
551L97.8Very high96.8Very high21 Ų2129.6 Ų29.611%0.1116%0.157CC..Hα-helixtrans-62.9-42.8179.3-61.5179.2000113.1T537 T549 V553 L554 D555 I570 R572 L575T537-L551 HydrophobicContact CG2-CB 4.24Å; T549-L551 PolarHBondContact O-N 3.14Å; T549-L551 WeakPolarHBondContact OG1-CB 3.45Å; T549-L551 WeakPolarHBondContact OG1-CG 3.26Å; T549-L551 PolarHBondContact OG1-N 3.16Å; L551-V553 PolarHBondContact O-N 2.87Å; L551-L554 HydrophobicContact CD2-CD1 4.44Å; L551-L554 PolarHBondContact O-N 3.49Å; L551-D555 VanDerWaalsContact O-CB 3.31Å; L551-D555 WeakPolarHBondContact O-CB 3.32Å; L551-D555 PolarHBondContact O-N 2.92Å; L551-I570 HydrophobicContact CD2-CG2 3.72Å; L551-R572 HydrophobicContact CD1-CB 4.41Å; L551-R572 HydrophobicContact CD2-CG 3.87Å; L551-L575 HydrophobicContact CD1-CD1 4.45Å
552P98Very high96.5Very high1 Ų131 Ų311%0.00617%0.165CC..Hα-helixtrans-60.9-33.6174.8-23.334.5000113T537 I539 L556T537-P552 HydrophobicContact CG2-CG 4.37Å; I539-P552 HydrophobicContact CG2-CB 3.86Å; I539-P552 HydrophobicContact CG2-CG 4.21Å; P552-L556 WeakPolarHBondContact O-CB 3.5Å; P552-L556 PolarHBondContact O-N 3.15Å; P552-L556 VanDerWaalsContact O-N 3.09Å
553V98.1Very high96Very high1 Ų137.6 Ų37.61%0.00620%0.201CC..Hα-helixtrans-71.3-48.1177.6-177.80000110.1S550 L551 L556 I557 A587 L605 V616 F617 L620S550-V553 WeakPolarHBondContact O-CB 3.3Å; S550-V553 PolarHBondContact O-N 2.97Å; S550-V553 VanDerWaalsContact O-N 3.17Å; L551-V553 PolarHBondContact O-N 2.87Å; V553-L556 PolarHBondContact O-N 3.31Å; V553-I557 HydrophobicContact CG1-CD1 4.01Å; V553-I557 VanDerWaalsContact O-CG1 3.26Å; V553-I557 WeakPolarHBondContact O-CG1 3.4Å; V553-I557 PolarHBondContact O-N 2.84Å; V553-A587 HydrophobicContact CG1-CB 4.09Å; V553-L605 HydrophobicContact CG2-CD1 4.47Å; V553-L605 HydrophobicContact CG2-CD2 4.3Å; V553-V616 HydrophobicContact CG1-CG1 4.1Å; V553-F617 HydrophobicContact CG2-CE1 4.27Å; V553-F617 HydrophobicContact CG2-CE2 4.43Å; V553-F617 HydrophobicContact CG2-CZ 3.82Å; V553-L620 HydrophobicContact CG1-CD1 4Å
554L97.6Very high95.6Very high0 Ų030.4 Ų30.40%017%0.17CC..Hα-helixtrans-62.7-44178.1-71.7164.4000112.4S550 L551 L556 I557 D558 V565 I570 N583 Y586 A587S550-L554 WeakPolarHBondContact O-CG 3.38Å; S550-L554 PolarHBondContact O-N 3.45Å; L551-L554 HydrophobicContact CD2-CD1 4.44Å; L551-L554 PolarHBondContact O-N 3.49Å; L554-L556 VanDerWaalsContact C-N 3.28Å; L554-L556 PolarHBondContact O-N 2.83Å; L554-I557 PolarHBondContact O-N 2.81Å; L554-D558 PolarHBondContact O-N 2.96Å; L554-V565 HydrophobicContact CD2-CG1 4.46Å; L554-I570 HydrophobicContact CB-CD1 4.17Å; L554-I570 HydrophobicContact CD1-CD1 3.91Å; L554-I570 HydrophobicContact CD1-CG1 3.99Å; L554-I570 HydrophobicContact CD1-CG2 3.9Å; L554-I570 HydrophobicContact CD2-CD1 4.16Å; L554-I570 HydrophobicContact CG-CD1 4.31Å; L554-N583 HydrophobicContact CD1-CB 4.16Å; L554-Y586 HydrophobicContact CD2-CD1 3.79Å; L554-Y586 HydrophobicContact CD2-CE1 4.27Å; L554-A587 HydrophobicContact CD2-CB 3.69Å; L554-A587 HydrophobicContact CG-CB 3.85Å
555D97.4Very high95.4Very high6 Ų629.2 Ų29.23%0.03216%0.164CC..Hα-helixtrans-66.2-33.2177.5-77.4-17.9000111.6L530 K535 T537 L551 A559 R572L530-D555 HydrophobicContact CD2-CB 3.87Å; K535-D555 HydrophobicContact CB-CB 4.27Å; K535-D555 HydrophobicContact CD-CB 4.13Å; K535-D555 HydrophobicContact CG-CB 4.1Å; T537-D555 WeakPolarHBondContact CG2-OD2 3.39Å; T537-D555 WeakPolarHBondContact OG1-CB 3.37Å; T537-D555 PolarHBondContact OG1-OD2 3.16Å; L551-D555 VanDerWaalsContact O-CB 3.31Å; L551-D555 WeakPolarHBondContact O-CB 3.32Å; L551-D555 PolarHBondContact O-N 2.92Å; D555-A559 WeakPolarHBondContact O-CB 3.5Å; D555-A559 PolarHBondContact O-N 3.26Å; D555-R572 IonicContact OD1-CZ 3.48Å; D555-R572 IonicContact OD1-NH1 3.66Å; D555-R572 PolarHBondContact OD1-NH1 2.82Å; D555-R572 IonicContact OD1-NH2 2.89Å; D555-R572 PolarHBondContact OD1-NH2 3.4Å; D555-R572 IonicContact OD2-NH1 2.85Å; D555-R572 PolarHBondContact OD2-NH1 3.29Å; D555-R572 VanDerWaalsContact OD2-NH1 3.14Å
556L97.8Very high95.2Very high0 Ų024.2 Ų24.20%014%0.14CC..Hα-helixtrans-69.8-43173.7179.364.5000111.6W525 V526 T529 L530 P552 V553 L554 D558 A559 I560 F617 L620W525-L556 HydrophobicContact CH2-CD1 4.19Å; W525-L556 HydrophobicContact CZ3-CD1 3.97Å; W525-L556 HydrophobicContact CZ3-CD2 4.19Å; V526-L556 HydrophobicContact CG1-CD2 4.14Å; V526-L556 HydrophobicContact CG2-CD2 3.95Å; T529-L556 HydrophobicContact CG2-CD1 3.75Å; L530-L556 HydrophobicContact CD2-CB 4.01Å; L530-L556 HydrophobicContact CG-CD1 4.36Å; P552-L556 WeakPolarHBondContact O-CB 3.5Å; P552-L556 PolarHBondContact O-N 3.15Å; P552-L556 VanDerWaalsContact O-N 3.09Å; V553-L556 PolarHBondContact O-N 3.31Å; L554-L556 VanDerWaalsContact C-N 3.28Å; L554-L556 PolarHBondContact O-N 2.83Å; L556-D558 VanDerWaalsContact C-N 3.32Å; L556-D558 PolarHBondContact O-N 3.41Å; L556-A559 WeakPolarHBondContact O-CB 3.27Å; L556-A559 PolarHBondContact O-N 2.94Å; L556-I560 HydrophobicContact CD1-CD1 4.04Å; L556-I560 HydrophobicContact CD1-CG1 4.29Å; L556-I560 HydrophobicContact CD2-CD1 4.46Å; L556-I560 HydrophobicContact CG-CD1 3.78Å; L556-I560 HydrophobicContact CG-CG1 4.47Å; L556-I560 WeakPolarHBondContact O-CD1 3.43Å; L556-I560 VanDerWaalsContact O-CG1 3.25Å; L556-I560 WeakPolarHBondContact O-CG1 3.48Å; L556-I560 PolarHBondContact O-N 3.33Å; L556-F617 HydrophobicContact CD2-CD1 3.45Å; L556-F617 VanDerWaalsContact CD2-CD1 3.45Å; L556-F617 HydrophobicContact CD2-CE1 3.66Å; L556-L620 HydrophobicContact CD2-CB 4.22Å; L556-L620 HydrophobicContact CD2-CD1 3.94Å
557I96.8Very high95Very high0 Ų025.8 Ų25.80%014%0.143CC..Hα-helixtrans-60.3-44.9175.8-65.5160.2000110.3V553 L554 A559 I560 A561 V565 A587 V590 A591 I594 L620V553-I557 HydrophobicContact CG1-CD1 4.01Å; V553-I557 VanDerWaalsContact O-CG1 3.26Å; V553-I557 WeakPolarHBondContact O-CG1 3.4Å; V553-I557 PolarHBondContact O-N 2.84Å; L554-I557 PolarHBondContact O-N 2.81Å; I557-A559 VanDerWaalsContact C-N 3.3Å; I557-A559 PolarHBondContact O-N 2.75Å; I557-I560 PolarHBondContact O-N 3.24Å; I557-A561 PolarHBondContact O-N 3Å; I557-V565 HydrophobicContact CB-CG2 4.05Å; I557-V565 HydrophobicContact CG2-CG2 3.75Å; I557-A587 WeakPolarHBondContact CD1-O 3.5Å; I557-V590 HydrophobicContact CG2-CG1 3.72Å; I557-A591 HydrophobicContact CD1-CB 3.89Å; I557-A591 HydrophobicContact CG1-CB 4.41Å; I557-I594 HydrophobicContact CG2-CD1 3.98Å; I557-I594 HydrophobicContact CG2-CG2 4.47Å; I557-L620 HydrophobicContact CG1-CD1 4.11Å; I557-L620 HydrophobicContact CG1-CD2 3.73Å
558D95.5Very high94.6Very high27 Ų2732.5 Ų32.514%0.14417%0.174CC..Hα-helixtrans-64-34.7176.7-170.762.3000112.4K535 L554 L556 A561 P562 V565K535-D558 WeakPolarHBondContact CE-OD2 3.24Å; K535-D558 IonicContact NZ-OD2 3.42Å; K535-D558 PolarHBondContact NZ-OD2 2.97Å; L554-D558 PolarHBondContact O-N 2.96Å; L556-D558 VanDerWaalsContact C-N 3.32Å; L556-D558 PolarHBondContact O-N 3.41Å; D558-A561 CarbonylContact O-C 3.45Å; D558-P562 WeakPolarHBondContact O-CA 3.29Å; D558-V565 HydrophobicContact CB-CB 4.16Å; D558-V565 HydrophobicContact CB-CG2 3.94Å
559A95.7Very high94.3Very high23 Ų2334 Ų3419%0.1918%0.18CC..Hα-helixtrans-66.8-38.8173.400000112.6T529 A533 D555 L556 I557T529-A559 HydrophobicContact CG2-CB 4.02Å; A533-A559 HydrophobicContact CB-CB 3.48Å; A533-A559 VanDerWaalsContact CB-CB 3.48Å; D555-A559 WeakPolarHBondContact O-CB 3.5Å; D555-A559 PolarHBondContact O-N 3.26Å; L556-A559 WeakPolarHBondContact O-CB 3.27Å; L556-A559 PolarHBondContact O-N 2.94Å; I557-A559 VanDerWaalsContact C-N 3.3Å; I557-A559 PolarHBondContact O-N 2.75Å
560I94.1Very high94.1Very high13 Ų1333.6 Ų33.67%0.06718%0.176CC..Hα-helixtrans-75.5-41.1179.5-65.7160.3000111.5W525 T529 L556 I557 I594 L620 R627W525-I560 HydrophobicContact CH2-CD1 3.8Å; W525-I560 HydrophobicContact CH2-CG1 4.02Å; T529-I560 HydrophobicContact CG2-CG1 4.45Å; L556-I560 HydrophobicContact CD1-CD1 4.04Å; L556-I560 HydrophobicContact CD1-CG1 4.29Å; L556-I560 HydrophobicContact CD2-CD1 4.46Å; L556-I560 HydrophobicContact CG-CD1 3.78Å; L556-I560 HydrophobicContact CG-CG1 4.47Å; L556-I560 WeakPolarHBondContact O-CD1 3.43Å; L556-I560 VanDerWaalsContact O-CG1 3.25Å; L556-I560 WeakPolarHBondContact O-CG1 3.48Å; L556-I560 PolarHBondContact O-N 3.33Å; I557-I560 PolarHBondContact O-N 3.24Å; I560-I594 HydrophobicContact CG2-CD1 4.35Å; I560-L620 HydrophobicContact CD1-CB 3.96Å; I560-L620 HydrophobicContact CD1-CD2 4.38Å; I560-R627 PolarHBondContact O-NH1 3.37Å
561A92Very high93.8Very high19 Ų1939.3 Ų39.316%0.15720%0.198CC..SBendtrans-136.182.6-173.900000109.7I557 D558 N563 A564 I594I557-A561 PolarHBondContact O-N 3Å; D558-A561 CarbonylContact O-C 3.45Å; A561-N563 PolarHBondContact O-N 3.17Å; A561-A564 HydrophobicContact CB-CB 3.87Å; A561-A564 WeakPolarHBondContact O-CB 3.25Å; A561-A564 PolarHBondContact O-N 3.23Å; A561-A564 VanDerWaalsContact O-N 3.08Å; A561-I594 HydrophobicContact CB-CB 4.38Å; A561-I594 HydrophobicContact CB-CD1 4.37Å; A561-I594 HydrophobicContact CB-CG2 3.77Å
562P89.8Confident93.6Very high72 Ų7242.7 Ų42.747%0.46821%0.209SC..THydrogen-bonded Turntrans-55.9139.6179.2-25.935.2000111.4D558 A564 R627D558-P562 WeakPolarHBondContact O-CA 3.29Å; P562-A564 PolarHBondContact O-N 2.69Å; P562-R627 VanDerWaalsContact CD-NH1 3.34Å
563N86.4Confident93.3Very high150 Ų15049.8 Ų49.880%0.80224%0.242SC*.THydrogen-bonded Turntrans71.5-3.3-176.3-44.9-58.7000115.9A561 V565A561-N563 PolarHBondContact O-N 3.17Å; N563-V565 PolarHBondContact O-N 3.19Å
564A88.7Confident92.9Very high3 Ų356.6 Ų56.63%0.02528%0.279CS..SBendtrans-67.8-29.4172.800000111.6A561 P562 V590 K593 I594A561-A564 HydrophobicContact CB-CB 3.87Å; A561-A564 WeakPolarHBondContact O-CB 3.25Å; A561-A564 PolarHBondContact O-N 3.23Å; A561-A564 VanDerWaalsContact O-N 3.08Å; P562-A564 PolarHBondContact O-N 2.69Å; A564-V590 HydrophobicContact CB-CG1 4.16Å; A564-V590 WeakPolarHBondContact O-CG1 3.28Å; A564-K593 PolarHBondContact O-NZ 3.39Å; A564-I594 HydrophobicContact CB-CG2 3.62Å
565V92.6Very high92.7Very high7 Ų758.3 Ų58.34%0.04229%0.288CS..SBendtrans-97.4122.2180-177.90000110.2L554 I557 D558 N563 I570 Y586 V590L554-V565 HydrophobicContact CD2-CG1 4.46Å; I557-V565 HydrophobicContact CB-CG2 4.05Å; I557-V565 HydrophobicContact CG2-CG2 3.75Å; D558-V565 HydrophobicContact CB-CB 4.16Å; D558-V565 HydrophobicContact CB-CG2 3.94Å; N563-V565 PolarHBondContact O-N 3.19Å; V565-I570 HydrophobicContact CG1-CD1 3.25Å; V565-I570 HydrophobicContact CG1-CG1 4.36Å; V565-Y586 HydrophobicContact CG1-CE1 4.17Å; V565-V590 HydrophobicContact CG2-CG1 4.05Å
566R92.9Very high92.6Very high72 Ų7260.5 Ų60.527%0.27230%0.303SS..  trans-87.2109.9173.6-66.4-165.9-67-145.617.4109.6R180 E568 M569 Y586R180-R566 PolarHBondContact O-NH2 2.93Å; R566-E568 PolarHBondContact O-N 3.3Å; R566-M569 HydrophobicContact CB-CB 4.32Å; R566-M569 HydrophobicContact CB-CG 3.65Å; R566-M569 WeakPolarHBondContact O-CB 3.49Å; R566-M569 PolarHBondContact O-N 3.14Å; R566-Y586 WeakPolarHBondContact CB-OH 3.4Å; R566-Y586 PolarHBondContact N-OH 3.5Å
567Q91.4Very high92.5Very high78 Ų7865.8 Ų65.836%0.36433%0.331SS..G310 helixtrans-64.7-30.4-171.9-61.8-58.6-43.500112.4M569 I570Q567-M569 PolarHBondContact O-N 3.27Å; Q567-I570 PolarHBondContact O-N 3.14Å
568E91.7Very high92.4Very high141 Ų14172.3 Ų72.366%0.65936%0.362SS*.G310 helixtrans-65.8-16.8175.168.6-83.6-165.200113.9R566R566-E568 PolarHBondContact O-N 3.3Å
569M89.8Confident92.5Very high54 Ų5471.8 Ų71.827%0.26636%0.359SS..G310 helixtrans-89.7-5.9178.8-58-69165.400112.6R180 R566 Q567 Y586R180-M569 HydrophobicContact CB-SD 4.15Å; R180-M569 HydrophobicContact CG-SD 4.2Å; R180-M569 PolarHBondContact NH1-O 3.43Å; R566-M569 HydrophobicContact CB-CB 4.32Å; R566-M569 HydrophobicContact CB-CG 3.65Å; R566-M569 WeakPolarHBondContact O-CB 3.49Å; R566-M569 PolarHBondContact O-N 3.14Å; Q567-M569 PolarHBondContact O-N 3.27Å; M569-Y586 HydrophobicContact CB-CD1 4.49Å; M569-Y586 HydrophobicContact CB-CE1 4.03Å; M569-Y586 HydrophobicContact CB-CE2 4.35Å
570I93.4Very high92.6Very high18 Ų1872.9 Ų72.99%0.09236%0.36CS..  trans-108.5129.5-174.1-57.8169.6000109.8L551 L554 V565 Q567 R572 Y586L551-I570 HydrophobicContact CD2-CG2 3.72Å; L554-I570 HydrophobicContact CB-CD1 4.17Å; L554-I570 HydrophobicContact CD1-CD1 3.91Å; L554-I570 HydrophobicContact CD1-CG1 3.99Å; L554-I570 HydrophobicContact CD1-CG2 3.9Å; L554-I570 HydrophobicContact CD2-CD1 4.16Å; L554-I570 HydrophobicContact CG-CD1 4.31Å; V565-I570 HydrophobicContact CG1-CD1 3.25Å; V565-I570 HydrophobicContact CG1-CG1 4.36Å; Q567-I570 PolarHBondContact O-N 3.14Å; I570-R572 HydrophobicContact CG2-CG 3.92Å; I570-Y586 HydrophobicContact CD1-CE1 4.4Å; I570-Y586 HydrophobicContact CG1-CD1 4.07Å; I570-Y586 HydrophobicContact CG1-CE1 4.03Å
571R93.3Very high92.8Very high119 Ų11974.5 Ų74.545%0.44937%0.368SS..  trans-92132.5165.3-162.3174.7168.1169.6-6.6109.5E573 N574 L575 D579 N583R571-E573 PolarHBondContact NE-O 2.99Å; R571-N574 PolarHBondContact NH2-O 3.25Å; R571-L575 HydrophobicContact CB-CD2 3.84Å; R571-L575 HydrophobicContact CG-CD2 3.78Å; R571-L575 VanDerWaalsContact O-CD2 3.27Å; R571-L575 WeakPolarHBondContact O-CD2 3.48Å; R571-D579 WeakPolarHBondContact CD-OD1 3.39Å; R571-D579 WeakPolarHBondContact CD-OD2 3.46Å; R571-D579 IonicContact CZ-OD1 3.32Å; R571-D579 IonicContact CZ-OD2 2.71Å; R571-D579 IonicContact NE-OD1 3.46Å; R571-D579 IonicContact NE-OD2 2.78Å; R571-D579 PolarHBondContact NE-OD2 3.34Å; R571-D579 IonicContact NH1-OD1 3.44Å; R571-D579 PolarHBondContact NH1-OD1 3.34Å; R571-D579 IonicContact NH1-OD2 2.79Å; R571-D579 PolarHBondContact NH1-OD2 3.32Å; R571-D579 IonicContact NH2-OD2 2.63Å; R571-D579 PolarHBondContact NH2-OD2 3.32Å; R571-N583 PolarHBondContact N-OD1 2.88Å; R571-N583 PolarHBondContact O-ND2 2.84Å
572R92.9Very high93Very high93 Ų9376 Ų7635%0.35137%0.374SS..  trans-115.6-23.8-176.7-64.7-171.7173.4-103.53.9114.4L551 D555 I570L551-R572 HydrophobicContact CD1-CB 4.41Å; L551-R572 HydrophobicContact CD2-CG 3.87Å; D555-R572 IonicContact OD1-CZ 3.48Å; D555-R572 IonicContact OD1-NH1 3.66Å; D555-R572 PolarHBondContact OD1-NH1 2.82Å; D555-R572 IonicContact OD1-NH2 2.89Å; D555-R572 PolarHBondContact OD1-NH2 3.4Å; D555-R572 IonicContact OD2-NH1 2.85Å; D555-R572 PolarHBondContact OD2-NH1 3.29Å; D555-R572 VanDerWaalsContact OD2-NH1 3.14Å; I570-R572 HydrophobicContact CG2-CG 3.92Å
573E90.9Very high93.4Very high150 Ų15072.7 Ų72.770%0.70135%0.352SS*.SBendtrans-119.2149.9-174.6-62.8-17717800111.1R571 L575R571-E573 PolarHBondContact NE-O 2.99Å; E573-L575 VanDerWaalsContact C-N 3.35Å; E573-L575 PolarHBondContact O-N 3.09Å
574N89.6Confident93.9Very high144 Ų14465.6 Ų65.677%0.7731%0.314SS*.SBendtrans46.955.6177.4-59.4-39.7000112.4R571 S576R571-N574 PolarHBondContact NH2-O 3.25Å; N574-S576 PolarHBondContact O-N 3.19Å
575L93.3Very high94.3Very high36 Ų3667.2 Ų67.219%0.18832%0.321CS..  trans-76.5119-174.7-57.7177000110.9T549 L551 R571 E573 D579 K580T549-L575 HydrophobicContact CG2-CD1 3.71Å; L551-L575 HydrophobicContact CD1-CD1 4.45Å; R571-L575 HydrophobicContact CB-CD2 3.84Å; R571-L575 HydrophobicContact CG-CD2 3.78Å; R571-L575 VanDerWaalsContact O-CD2 3.27Å; R571-L575 WeakPolarHBondContact O-CD2 3.48Å; E573-L575 VanDerWaalsContact C-N 3.35Å; E573-L575 PolarHBondContact O-N 3.09Å; L575-D579 HydrophobicContact CB-CB 4.23Å; L575-D579 HydrophobicContact CD2-CB 3.94Å; L575-K580 HydrophobicContact CB-CG 4.22Å
576S96Very high94.6Very high52 Ų5266.9 Ų66.936%0.36432%0.319SS..  trans-71.6170.3160.976.30000110.5N574 E578 D579 K580N574-S576 PolarHBondContact O-N 3.19Å; S576-E578 VanDerWaalsContact C-N 3.25Å; S576-E578 PolarHBondContact O-N 3.2Å; S576-E578 PolarHBondContact OG-N 3.49Å; S576-D579 PolarHBondContact N-OD2 3.19Å; S576-D579 WeakPolarHBondContact O-CB 3.4Å; S576-D579 PolarHBondContact O-N 2.91Å; S576-D579 VanDerWaalsContact OG-CG 3.23Å; S576-D579 PolarHBondContact OG-N 3.45Å; S576-D579 PolarHBondContact OG-OD2 3.09Å; S576-K580 WeakPolarHBondContact O-CG 3.49Å; S576-K580 PolarHBondContact O-N 3.07Å; S576-K580 VanDerWaalsContact O-N 3.09Å
577D95.4Very high94.8Very high110 Ų11063.5 Ų63.559%0.58831%0.306SS*.Hα-helixtrans-66.5-31174.2-64.1-34.3000112.1K580 L581D577-K580 PolarHBondContact O-N 3.36Å; D577-K580 IonicContact OD1-NZ 2.71Å; D577-K580 PolarHBondContact OD1-NZ 2.89Å; D577-L581 PolarHBondContact O-N 2.6Å
578E95.9Very high95.1Very high137 Ų13760 Ų6064%0.6429%0.29SS*.Hα-helixtrans-65.1-40.7171.5-171-175.8173.900111.6S576 K580 L581 N582S576-E578 VanDerWaalsContact C-N 3.25Å; S576-E578 PolarHBondContact O-N 3.2Å; S576-E578 PolarHBondContact OG-N 3.49Å; E578-K580 VanDerWaalsContact C-N 3.33Å; E578-K580 PolarHBondContact O-N 2.98Å; E578-L581 PolarHBondContact O-N 3.44Å; E578-N582 WeakPolarHBondContact O-CB 3.34Å; E578-N582 VanDerWaalsContact O-CG 3.28Å; E578-N582 PolarHBondContact O-N 3.33Å; E578-N582 PolarHBondContact O-ND2 2.85Å
579D97Very high95.4Very high17 Ų1753.4 Ų53.49%0.09126%0.259CS..Hα-helixtrans-63.8-39.9176.1-62.8-50.9000111.8R571 L575 S576 N582 N583R571-D579 WeakPolarHBondContact CD-OD1 3.39Å; R571-D579 WeakPolarHBondContact CD-OD2 3.46Å; R571-D579 IonicContact CZ-OD1 3.32Å; R571-D579 IonicContact CZ-OD2 2.71Å; R571-D579 IonicContact NE-OD1 3.46Å; R571-D579 IonicContact NE-OD2 2.78Å; R571-D579 PolarHBondContact NE-OD2 3.34Å; R571-D579 IonicContact NH1-OD1 3.44Å; R571-D579 PolarHBondContact NH1-OD1 3.34Å; R571-D579 IonicContact NH1-OD2 2.79Å; R571-D579 PolarHBondContact NH1-OD2 3.32Å; R571-D579 IonicContact NH2-OD2 2.63Å; R571-D579 PolarHBondContact NH2-OD2 3.32Å; L575-D579 HydrophobicContact CB-CB 4.23Å; L575-D579 HydrophobicContact CD2-CB 3.94Å; S576-D579 PolarHBondContact N-OD2 3.19Å; S576-D579 WeakPolarHBondContact O-CB 3.4Å; S576-D579 PolarHBondContact O-N 2.91Å; S576-D579 VanDerWaalsContact OG-CG 3.23Å; S576-D579 PolarHBondContact OG-N 3.45Å; S576-D579 PolarHBondContact OG-OD2 3.09Å; D579-N582 PolarHBondContact O-N 3.18Å; D579-N583 WeakPolarHBondContact O-CB 3.31Å; D579-N583 PolarHBondContact O-N 3.16Å
580K97.7Very high95.8Very high45 Ų4550.9 Ų50.920%0.19625%0.247CC..Hα-helixtrans-62.3-45.5175.3-68.6175.9-162.7155.80111.1S548 L575 S576 D577 E578 N583 A584 V606S548-K580 WeakPolarHBondContact O-CB 3.48Å; S548-K580 WeakPolarHBondContact O-CG 3.35Å; L575-K580 HydrophobicContact CB-CG 4.22Å; S576-K580 WeakPolarHBondContact O-CG 3.49Å; S576-K580 PolarHBondContact O-N 3.07Å; S576-K580 VanDerWaalsContact O-N 3.09Å; D577-K580 PolarHBondContact O-N 3.36Å; D577-K580 IonicContact OD1-NZ 2.71Å; D577-K580 PolarHBondContact OD1-NZ 2.89Å; E578-K580 VanDerWaalsContact C-N 3.33Å; E578-K580 PolarHBondContact O-N 2.98Å; K580-N583 PolarHBondContact O-N 3.48Å; K580-A584 WeakPolarHBondContact O-CB 3.48Å; K580-A584 PolarHBondContact O-N 3.26Å; K580-V606 HydrophobicContact CB-CG1 4.27Å; K580-V606 HydrophobicContact CB-CG2 4.16Å
581L97.1Very high96Very high47 Ų4750 Ų5025%0.24624%0.242CC..Hα-helixtrans-63.1-43.9177.2-175.963.9000111.5D577 E578 N583 A584 K585 P602 V606D577-L581 PolarHBondContact O-N 2.6Å; E578-L581 PolarHBondContact O-N 3.44Å; L581-N583 VanDerWaalsContact C-N 3.35Å; L581-N583 PolarHBondContact O-N 3.04Å; L581-A584 WeakPolarHBondContact O-CB 3.49Å; L581-A584 PolarHBondContact O-N 3.25Å; L581-A584 VanDerWaalsContact O-N 3.13Å; L581-K585 WeakPolarHBondContact O-CG 3.23Å; L581-K585 PolarHBondContact O-N 2.88Å; L581-P602 HydrophobicContact CD1-CB 3.67Å; L581-V606 HydrophobicContact CB-CG2 4.46Å; L581-V606 HydrophobicContact CD1-CG2 4.4Å
582N96.9Very high96.1Very high51 Ų5144.9 Ų44.927%0.27322%0.223SC..Hα-helixtrans-63.7-38.4176.4-76.4-29.2000112.4R180 E578 D579 Y586R180-N582 PolarHBondContact NH2-O 3.34Å; E578-N582 WeakPolarHBondContact O-CB 3.34Å; E578-N582 VanDerWaalsContact O-CG 3.28Å; E578-N582 PolarHBondContact O-N 3.33Å; E578-N582 PolarHBondContact O-ND2 2.85Å; D579-N582 PolarHBondContact O-N 3.18Å; N582-Y586 WeakPolarHBondContact O-CB 3.44Å; N582-Y586 PolarHBondContact O-N 2.77Å; N582-Y586 VanDerWaalsContact O-N 3.15Å
583N97.9Very high96.3Very high3 Ų340.8 Ų40.82%0.01621%0.208CC..Hα-helixtrans-65.9-39172.1-77.5-8.8000111.4T549 L554 R571 D579 K580 L581 Y586 A587T549-N583 PolarHBondContact O-ND2 3.4Å; L554-N583 HydrophobicContact CD1-CB 4.16Å; R571-N583 PolarHBondContact N-OD1 2.88Å; R571-N583 PolarHBondContact O-ND2 2.84Å; D579-N583 WeakPolarHBondContact O-CB 3.31Å; D579-N583 PolarHBondContact O-N 3.16Å; K580-N583 PolarHBondContact O-N 3.48Å; L581-N583 VanDerWaalsContact C-N 3.35Å; L581-N583 PolarHBondContact O-N 3.04Å; N583-Y586 PolarHBondContact O-N 3.46Å; N583-A587 VanDerWaalsContact O-CB 3.28Å; N583-A587 WeakPolarHBondContact O-CB 3.5Å; N583-A587 PolarHBondContact O-N 3.44Å
584A97.8Very high96.4Very high0 Ų034.1 Ų34.10%018%0.177CC..Hα-helixtrans-67.2-46.2178.800000112.4S550 K580 L581 Y586 A587 I588 P602 L605 V606S550-A584 VanDerWaalsContact OG-CA 3.26Å; S550-A584 WeakPolarHBondContact OG-CA 3.21Å; S550-A584 VanDerWaalsContact OG-CB 3.3Å; S550-A584 WeakPolarHBondContact OG-CB 3.41Å; K580-A584 WeakPolarHBondContact O-CB 3.48Å; K580-A584 PolarHBondContact O-N 3.26Å; L581-A584 WeakPolarHBondContact O-CB 3.49Å; L581-A584 PolarHBondContact O-N 3.25Å; L581-A584 VanDerWaalsContact O-N 3.13Å; A584-Y586 VanDerWaalsContact C-N 3.28Å; A584-Y586 PolarHBondContact O-N 2.96Å; A584-A587 PolarHBondContact O-N 2.83Å; A584-I588 WeakPolarHBondContact O-CG1 3.27Å; A584-I588 PolarHBondContact O-N 2.98Å; A584-P602 HydrophobicContact CB-CB 3.89Å; A584-P602 WeakPolarHBondContact CB-O 3.26Å; A584-L605 HydrophobicContact CB-CB 4.22Å; A584-L605 HydrophobicContact CB-CD1 4.3Å; A584-V606 HydrophobicContact CB-CG2 3.97Å
585K97.4Very high96.5Very high38 Ų3828.4 Ų28.417%0.16515%0.151CC..Hα-helixtrans-53.6-47172.5-77.1-176.9171.5-168.50111D175 D178 L581 S589 P602D175-K585 IonicContact OD1-NZ 2.98Å; D175-K585 PolarHBondContact OD1-NZ 3.02Å; D175-K585 IonicContact OD2-NZ 3.18Å; D175-K585 PolarHBondContact OD2-NZ 3.36Å; D178-K585 HydrophobicContact CB-CB 4.42Å; L581-K585 WeakPolarHBondContact O-CG 3.23Å; L581-K585 PolarHBondContact O-N 2.88Å; K585-S589 WeakPolarHBondContact O-CB 3.27Å; K585-S589 PolarHBondContact O-N 3.3Å; K585-S589 PolarHBondContact O-OG 3.36Å; K585-P602 HydrophobicContact CB-CG 4.37Å; K585-P602 HydrophobicContact CG-CB 3.85Å; K585-P602 HydrophobicContact CG-CG 3.59Å
586Y98.1Very high96.4Very high0 Ų026.8 Ų26.80%014%0.143CC..Hα-helixtrans-65.4-46177.3-172.3-122000112.3D178 R180 A181 L554 V565 R566 M569 I570 N582 N583 A584 I588 S589 V590D178-Y586 WeakPolarHBondContact OD2-CA 3.28Å; D178-Y586 PolarHBondContact OD2-N 3.3Å; R180-Y586 HydrophobicContact CB-CD2 4.17Å; R180-Y586 HydrophobicContact CB-CE2 4.15Å; R180-Y586 WeakPolarHBondContact O-CE2 3.33Å; A181-Y586 HydrophobicContact CB-CE2 4.44Å; L554-Y586 HydrophobicContact CD2-CD1 3.79Å; L554-Y586 HydrophobicContact CD2-CE1 4.27Å; V565-Y586 HydrophobicContact CG1-CE1 4.17Å; R566-Y586 WeakPolarHBondContact CB-OH 3.4Å; R566-Y586 PolarHBondContact N-OH 3.5Å; M569-Y586 HydrophobicContact CB-CD1 4.49Å; M569-Y586 HydrophobicContact CB-CE1 4.03Å; M569-Y586 HydrophobicContact CB-CE2 4.35Å; I570-Y586 HydrophobicContact CD1-CE1 4.4Å; I570-Y586 HydrophobicContact CG1-CD1 4.07Å; I570-Y586 HydrophobicContact CG1-CE1 4.03Å; N582-Y586 WeakPolarHBondContact O-CB 3.44Å; N582-Y586 PolarHBondContact O-N 2.77Å; N582-Y586 VanDerWaalsContact O-N 3.15Å; N583-Y586 PolarHBondContact O-N 3.46Å; A584-Y586 VanDerWaalsContact C-N 3.28Å; A584-Y586 PolarHBondContact O-N 2.96Å; Y586-I588 PolarHBondContact O-N 3.3Å; Y586-S589 PolarHBondContact O-N 2.89Å; Y586-V590 HydrophobicContact CD1-CG2 4.29Å; Y586-V590 HydrophobicContact CD2-CG2 3.9Å; Y586-V590 HydrophobicContact CE1-CG2 3.93Å; Y586-V590 HydrophobicContact CE2-CG2 3.46Å; Y586-V590 VanDerWaalsContact CE2-CG2 3.46Å; Y586-V590 HydrophobicContact CG-CG2 4.27Å; Y586-V590 VanDerWaalsContact CZ-CG2 3.47Å; Y586-V590 VanDerWaalsContact O-CG2 3.31Å; Y586-V590 WeakPolarHBondContact O-CG2 3.26Å; Y586-V590 PolarHBondContact O-N 2.65Å
587A98Very high96Very high1 Ų130.5 Ų30.51%0.00815%0.149CC..Hα-helixtrans-59.4-46.4-179.100000112.4V553 L554 I557 N583 A584 V590 A591V553-A587 HydrophobicContact CG1-CB 4.09Å; L554-A587 HydrophobicContact CD2-CB 3.69Å; L554-A587 HydrophobicContact CG-CB 3.85Å; I557-A587 WeakPolarHBondContact CD1-O 3.5Å; N583-A587 VanDerWaalsContact O-CB 3.28Å; N583-A587 WeakPolarHBondContact O-CB 3.5Å; N583-A587 PolarHBondContact O-N 3.44Å; A584-A587 PolarHBondContact O-N 2.83Å; A587-V590 PolarHBondContact O-N 2.9Å; A587-A591 VanDerWaalsContact O-CB 3.24Å; A587-A591 WeakPolarHBondContact O-CB 3.2Å; A587-A591 PolarHBondContact O-N 3.06Å
588I97.8Very high95.8Very high5 Ų525.4 Ų25.43%0.02612%0.122CC..Hα-helixtrans-63.2-45.1178.4-70.7164.5000110.5A584 Y586 A591 R592 I598 A600 P602 L605A584-I588 WeakPolarHBondContact O-CG1 3.27Å; A584-I588 PolarHBondContact O-N 2.98Å; Y586-I588 PolarHBondContact O-N 3.3Å; I588-A591 PolarHBondContact O-N 2.85Å; I588-R592 WeakPolarHBondContact O-CG 3.4Å; I588-R592 PolarHBondContact O-N 3.35Å; I588-I598 HydrophobicContact CG2-CG2 4.41Å; I588-A600 WeakPolarHBondContact CD1-O 3.41Å; I588-P602 VanDerWaalsContact CD1-CA 3.47Å; I588-P602 HydrophobicContact CD1-CB 4.24Å; I588-P602 HydrophobicContact CD1-CG 3.9Å; I588-L605 HydrophobicContact CD1-CD1 4.28Å; I588-L605 HydrophobicContact CG1-CD1 4.12Å
589S97.9Very high95.6Very high2 Ų219.7 Ų19.71%0.01410%0.095CC..Hα-helixtrans-64.6-44.2179.9-57.50000111.6D178 L198 K585 Y586 A591 R592 K593D178-S589 VanDerWaalsContact CB-OG 3.31Å; D178-S589 WeakPolarHBondContact CB-OG 3.35Å; D178-S589 PolarHBondContact N-OG 3.2Å; L198-S589 VanDerWaalsContact CD1-O 3.27Å; L198-S589 WeakPolarHBondContact CD1-O 3.38Å; K585-S589 WeakPolarHBondContact O-CB 3.27Å; K585-S589 PolarHBondContact O-N 3.3Å; K585-S589 PolarHBondContact O-OG 3.36Å; Y586-S589 PolarHBondContact O-N 2.89Å; S589-A591 VanDerWaalsContact C-N 3.35Å; S589-A591 PolarHBondContact O-N 3.13Å; S589-R592 PolarHBondContact O-N 3.47Å; S589-K593 WeakPolarHBondContact O-CB 3.29Å; S589-K593 PolarHBondContact O-N 3.33Å
590V97.4Very high95.3Very high0 Ų018.9 Ų18.90%09%0.091CC..Hα-helixtrans-67.7-36.4176.9-177.90000111.4A181 I557 A564 V565 Y586 A587 K593 I594A181-V590 HydrophobicContact CB-CG2 4.15Å; I557-V590 HydrophobicContact CG2-CG1 3.72Å; A564-V590 HydrophobicContact CB-CG1 4.16Å; A564-V590 WeakPolarHBondContact O-CG1 3.28Å; V565-V590 HydrophobicContact CG2-CG1 4.05Å; Y586-V590 HydrophobicContact CD1-CG2 4.29Å; Y586-V590 HydrophobicContact CD2-CG2 3.9Å; Y586-V590 HydrophobicContact CE1-CG2 3.93Å; Y586-V590 HydrophobicContact CE2-CG2 3.46Å; Y586-V590 VanDerWaalsContact CE2-CG2 3.46Å; Y586-V590 HydrophobicContact CG-CG2 4.27Å; Y586-V590 VanDerWaalsContact CZ-CG2 3.47Å; Y586-V590 VanDerWaalsContact O-CG2 3.31Å; Y586-V590 WeakPolarHBondContact O-CG2 3.26Å; Y586-V590 PolarHBondContact O-N 2.65Å; A587-V590 PolarHBondContact O-N 2.9Å; V590-K593 WeakPolarHBondContact O-CB 3.43Å; V590-K593 PolarHBondContact O-N 3.48Å; V590-I594 PolarHBondContact O-N 3.33Å
591A97.1Very high95.1Very high0 Ų018.3 Ų18.30%09%0.09CC..Hα-helixtrans-62-44.9174.100000112I557 A587 I588 S589 K593 I594 G595 A596 I598 L620I557-A591 HydrophobicContact CD1-CB 3.89Å; I557-A591 HydrophobicContact CG1-CB 4.41Å; A587-A591 VanDerWaalsContact O-CB 3.24Å; A587-A591 WeakPolarHBondContact O-CB 3.2Å; A587-A591 PolarHBondContact O-N 3.06Å; I588-A591 PolarHBondContact O-N 2.85Å; S589-A591 VanDerWaalsContact C-N 3.35Å; S589-A591 PolarHBondContact O-N 3.13Å; A591-K593 VanDerWaalsContact C-N 3.33Å; A591-K593 PolarHBondContact O-N 3.01Å; A591-I594 WeakPolarHBondContact O-CG1 3.35Å; A591-I594 PolarHBondContact O-N 3.15Å; A591-G595 PolarHBondContact O-N 3.22Å; A591-A596 HydrophobicContact CB-CB 4.3Å; A591-A596 VanDerWaalsContact O-CB 3.27Å; A591-A596 WeakPolarHBondContact O-CB 3.25Å; A591-A596 PolarHBondContact O-N 3.11Å; A591-I598 HydrophobicContact CB-CD1 3.37Å; A591-I598 HydrophobicContact CB-CG1 4.5Å; A591-L620 HydrophobicContact CB-CD2 3.93Å
592R96.8Very high95Very high11 Ų1117.1 Ų17.14%0.0429%0.085CC..Hα-helixtrans-61.7-40.7173.2-73179.6-176.4155.24.7112T176 L198 N201 S202 A205 I588 S589 I594 G595 A596 I598T176-R592 PolarHBondContact O-NH1 3.09Å; L198-R592 HydrophobicContact CD1-CB 3.98Å; N201-R592 HydrophobicContact CB-CB 3.83Å; N201-R592 HydrophobicContact CB-CG 3.94Å; N201-R592 PolarHBondContact ND2-O 2.83Å; S202-R592 WeakPolarHBondContact OG-CD 3.39Å; A205-R592 VanDerWaalsContact CB-CZ 3.44Å; I588-R592 WeakPolarHBondContact O-CG 3.4Å; I588-R592 PolarHBondContact O-N 3.35Å; S589-R592 PolarHBondContact O-N 3.47Å; R592-I594 PolarHBondContact O-N 2.94Å; R592-G595 WeakPolarHBondContact O-CA 3.47Å; R592-G595 PolarHBondContact O-N 2.74Å; R592-A596 WeakPolarHBondContact CA-O 3.17Å; R592-I598 PolarHBondContact NE-O 3.22Å; R592-I598 PolarHBondContact NH2-O 2.86Å
593K96.2Very high94.9Very high7 Ų717 Ų173%0.038%0.084CC..Hα-helixtrans-58.4-42.9176.5-173.4-177.570.6167.20112.7A181 E194 L198 A564 S589 V590 A591 G595A181-K593 WeakPolarHBondContact O-CD 3.2Å; E194-K593 HydrophobicContact CB-CD 4.04Å; E194-K593 HydrophobicContact CB-CG 3.65Å; E194-K593 HydrophobicContact CG-CG 4.21Å; E194-K593 WeakPolarHBondContact O-CG 3.08Å; E194-K593 IonicContact OE2-NZ 3.95Å; L198-K593 HydrophobicContact CB-CB 4.07Å; L198-K593 HydrophobicContact CB-CG 4.32Å; L198-K593 HydrophobicContact CD1-CB 4.41Å; A564-K593 PolarHBondContact O-NZ 3.39Å; S589-K593 WeakPolarHBondContact O-CB 3.29Å; S589-K593 PolarHBondContact O-N 3.33Å; V590-K593 WeakPolarHBondContact O-CB 3.43Å; V590-K593 PolarHBondContact O-N 3.48Å; A591-K593 VanDerWaalsContact C-N 3.33Å; A591-K593 PolarHBondContact O-N 3.01Å; K593-G595 PolarHBondContact O-N 3.08Å
594I94.1Very high94.7Very high11 Ų1117.5 Ų17.56%0.0569%0.086CC..THydrogen-bonded Turntrans-75.7-5.417767.4161.9000112.7I557 I560 A561 A564 V590 A591 R592 L620 K623I557-I594 HydrophobicContact CG2-CD1 3.98Å; I557-I594 HydrophobicContact CG2-CG2 4.47Å; I560-I594 HydrophobicContact CG2-CD1 4.35Å; A561-I594 HydrophobicContact CB-CB 4.38Å; A561-I594 HydrophobicContact CB-CD1 4.37Å; A561-I594 HydrophobicContact CB-CG2 3.77Å; A564-I594 HydrophobicContact CB-CG2 3.62Å; V590-I594 PolarHBondContact O-N 3.33Å; A591-I594 WeakPolarHBondContact O-CG1 3.35Å; A591-I594 PolarHBondContact O-N 3.15Å; R592-I594 PolarHBondContact O-N 2.94Å; I594-L620 HydrophobicContact CD1-CD2 4.08Å; I594-K623 HydrophobicContact CD1-CG 4.16Å; I594-K623 HydrophobicContact CG1-CG 4.41Å; I594-K623 WeakPolarHBondContact O-CD 3.47Å; I594-K623 WeakPolarHBondContact O-CE 3.37Å; I594-K623 PolarHBondContact O-NZ 3.14Å
595G90.8Very high94.7Very high23 Ų2317.5 Ų17.524%0.2379%0.086CC..THydrogen-bonded Turntrans103.512.1175.700000115.2N201 A591 R592 K593N201-G595 WeakPolarHBondContact ND2-CA 3.39Å; A591-G595 PolarHBondContact O-N 3.22Å; R592-G595 WeakPolarHBondContact O-CA 3.47Å; R592-G595 PolarHBondContact O-N 2.74Å; K593-G595 PolarHBondContact O-N 3.08Å
596A91.7Very high94.7Very high2 Ų217.1 Ų17.12%0.0179%0.087CC..  trans-78.7125.2173.700000110.5A591 R592 I598 C619 L620A591-A596 HydrophobicContact CB-CB 4.3Å; A591-A596 VanDerWaalsContact O-CB 3.27Å; A591-A596 WeakPolarHBondContact O-CB 3.25Å; A591-A596 PolarHBondContact O-N 3.11Å; R592-A596 WeakPolarHBondContact CA-O 3.17Å; A596-I598 HydrophobicContact CB-CD1 4.14Å; A596-I598 HydrophobicContact CB-CG1 4.05Å; A596-I598 PolarHBondContact O-N 3.22Å; A596-C619 HydrophobicContact CB-CB 4.31Å; A596-L620 HydrophobicContact CB-CD2 4.09Å
597R88.1Confident94.6Very high130 Ų13022 Ų2249%0.49111%0.11SC..  trans-81.182.1179.2-68.2-177.8178.4-178.5-1111.1N201 C619N201-R597 WeakPolarHBondContact OD1-CG 3.47Å; R597-C619 PolarHBondContact O-SG 3.42Å
598I91Very high94.6Very high4 Ų423 Ų232%0.02112%0.116CC..  trans-103.9123-175.2-62.2-177.2000111.2I588 A591 R592 A596 A600 V616 C619I588-I598 HydrophobicContact CG2-CG2 4.41Å; A591-I598 HydrophobicContact CB-CD1 3.37Å; A591-I598 HydrophobicContact CB-CG1 4.5Å; R592-I598 PolarHBondContact NE-O 3.22Å; R592-I598 PolarHBondContact NH2-O 2.86Å; A596-I598 HydrophobicContact CB-CD1 4.14Å; A596-I598 HydrophobicContact CB-CG1 4.05Å; A596-I598 PolarHBondContact O-N 3.22Å; I598-A600 HydrophobicContact CG2-CB 3.83Å; I598-V616 HydrophobicContact CD1-CG1 4.09Å; I598-V616 HydrophobicContact CD1-CG2 4.38Å; I598-V616 HydrophobicContact CG2-CG2 3.83Å; I598-C619 HydrophobicContact CG1-CB 4.02Å
599Y89.9Confident94.4Very high17 Ų1727.2 Ų27.27%0.06713%0.134CC..  trans-99.3-10.1173.8-59.5-91.5000113.1S204 W404 S407 M500S204-Y599 WeakPolarHBondContact O-CE1 3.37Å; S204-Y599 PolarHBondContact OG-OH 2.84Å; S204-Y599 VanDerWaalsContact OG-OH 3.1Å; W404-Y599 HydrophobicContact CB-CD1 4Å; W404-Y599 HydrophobicContact CB-CE1 4.11Å; W404-Y599 HydrophobicContact CB-CG 4.24Å; W404-Y599 AromaticContact CD1-CE2 3.68Å; W404-Y599 AromaticContact CD1-CZ 3.77Å; S407-Y599 WeakPolarHBondContact OG-CE1 3.26Å; S407-Y599 PolarHBondContact OG-OH 3.39Å; M500-Y599 HydrophobicContact CE-CD2 4.03Å; M500-Y599 HydrophobicContact CE-CG 4.35Å
600A91.6Very high94.2Very high0 Ų029.5 Ų29.50%015%0.149CC..  trans-59.9145175.900000111.8I588 I598 D604 M612 V616I588-A600 WeakPolarHBondContact CD1-O 3.41Å; I598-A600 HydrophobicContact CG2-CB 3.83Å; A600-D604 HydrophobicContact CB-CB 4.39Å; A600-M612 VanDerWaalsContact CA-CE 3.42Å; A600-M612 HydrophobicContact CB-CB 4.22Å; A600-M612 HydrophobicContact CB-CE 3.77Å; A600-V616 HydrophobicContact CB-CG2 3.47Å; A600-V616 VanDerWaalsContact CB-CG2 3.47Å
601L92.8Very high93.8Very high33 Ų3333.1 Ų33.117%0.17317%0.165CC..  trans-89.2157.7173.5-60178.8000110.6K396 D603 D604K396-L601 HydrophobicContact CB-CD1 3.86Å; K396-L601 HydrophobicContact CD-CD1 4.04Å; K396-L601 HydrophobicContact CG-CD1 4.02Å; L601-D603 PolarHBondContact O-N 3.05Å; L601-D604 PolarHBondContact N-OD2 3.38Å; L601-D604 VanDerWaalsContact O-CB 3.32Å; L601-D604 WeakPolarHBondContact O-CB 3.34Å; L601-D604 PolarHBondContact O-N 3.41Å
602P95.3Very high93.6Very high22 Ų2233.5 Ų33.514%0.14317%0.167CC..Hα-helixtrans-53.6-40.9175.5-27.535.3000113L581 A584 K585 I588 D604 L605 V606L581-P602 HydrophobicContact CD1-CB 3.67Å; A584-P602 HydrophobicContact CB-CB 3.89Å; A584-P602 WeakPolarHBondContact CB-O 3.26Å; K585-P602 HydrophobicContact CB-CG 4.37Å; K585-P602 HydrophobicContact CG-CB 3.85Å; K585-P602 HydrophobicContact CG-CG 3.59Å; I588-P602 VanDerWaalsContact CD1-CA 3.47Å; I588-P602 HydrophobicContact CD1-CB 4.24Å; I588-P602 HydrophobicContact CD1-CG 3.9Å; P602-D604 VanDerWaalsContact C-N 3.25Å; P602-D604 PolarHBondContact O-N 3.49Å; P602-L605 PolarHBondContact O-N 3.47Å; P602-V606 PolarHBondContact O-N 3.24Å
603D94.6Very high93.5Very high47 Ų4733 Ų3325%0.25117%0.165SC..Hα-helixtrans-61.4-32.2177.9-58.5-70.2000112.7K396 L601 L605 V606 E607K396-D603 IonicContact NZ-OD1 3.49Å; K396-D603 IonicContact NZ-OD2 2.86Å; K396-D603 PolarHBondContact NZ-OD2 2.92Å; L601-D603 PolarHBondContact O-N 3.05Å; D603-L605 PolarHBondContact O-N 3.26Å; D603-V606 PolarHBondContact O-N 2.84Å; D603-E607 VanDerWaalsContact O-CB 3.29Å; D603-E607 WeakPolarHBondContact O-CB 3.4Å; D603-E607 WeakPolarHBondContact O-CG 3.17Å; D603-E607 PolarHBondContact O-N 2.87Å
604D95.1Very high93.3Very high14 Ų1432.8 Ų32.88%0.07516%0.164CC..Hα-helixtrans-62.3-32.8179.4-67.3-39.6000112A600 L601 P602 V608 K609 M612A600-D604 HydrophobicContact CB-CB 4.39Å; L601-D604 PolarHBondContact N-OD2 3.38Å; L601-D604 VanDerWaalsContact O-CB 3.32Å; L601-D604 WeakPolarHBondContact O-CB 3.34Å; L601-D604 PolarHBondContact O-N 3.41Å; P602-D604 VanDerWaalsContact C-N 3.25Å; P602-D604 PolarHBondContact O-N 3.49Å; D604-V608 WeakPolarHBondContact O-CA 3.41Å; D604-V608 PolarHBondContact O-N 2.84Å; D604-V608 VanDerWaalsContact O-N 3.17Å; D604-K609 HydrophobicContact CB-CB 4.26Å; D604-K609 HydrophobicContact CB-CG 4.36Å; D604-K609 PolarHBondContact O-N 3.23Å; D604-M612 HydrophobicContact CB-CB 3.7Å; D604-M612 HydrophobicContact CB-CG 4.24Å
605L96.9Very high93.2Very high0 Ų032.4 Ų32.40%016%0.162CC..Hα-helixtrans-76.2-46.2174.9-65-178.9000111I547 S548 V553 A584 I588 P602 D603 V608 V613 V616I547-L605 HydrophobicContact CG2-CD2 4.3Å; S548-L605 WeakPolarHBondContact CA-O 3.47Å; V553-L605 HydrophobicContact CG2-CD1 4.47Å; V553-L605 HydrophobicContact CG2-CD2 4.3Å; A584-L605 HydrophobicContact CB-CB 4.22Å; A584-L605 HydrophobicContact CB-CD1 4.3Å; I588-L605 HydrophobicContact CD1-CD1 4.28Å; I588-L605 HydrophobicContact CG1-CD1 4.12Å; P602-L605 PolarHBondContact O-N 3.47Å; D603-L605 PolarHBondContact O-N 3.26Å; L605-V608 PolarHBondContact O-N 3.05Å; L605-V608 VanDerWaalsContact O-N 3.15Å; L605-V613 HydrophobicContact CD2-CG2 4.19Å; L605-V616 HydrophobicContact CD2-CG1 4.41Å; L605-V616 HydrophobicContact CD2-CG2 4.22Å
606V97.4Very high93.4Very high31 Ų3131.4 Ų31.419%0.18815%0.151CC..Hα-helixtrans-62.7-44.5-178.8179.20000111.3S548 K580 L581 A584 P602 D603 V608S548-V606 WeakPolarHBondContact CB-O 3.12Å; K580-V606 HydrophobicContact CB-CG1 4.27Å; K580-V606 HydrophobicContact CB-CG2 4.16Å; L581-V606 HydrophobicContact CB-CG2 4.46Å; L581-V606 HydrophobicContact CD1-CG2 4.4Å; A584-V606 HydrophobicContact CB-CG2 3.97Å; P602-V606 PolarHBondContact O-N 3.24Å; D603-V606 PolarHBondContact O-N 2.84Å; V606-V608 VanDerWaalsContact C-N 3.28Å; V606-V608 PolarHBondContact O-N 3.17Å
607E96.9Very high93.6Very high103 Ų10331.3 Ų31.348%0.48115%0.151SC..THydrogen-bonded Turntrans-80.1-8.3177-63.8-178-152.900113.3D603 K609D603-E607 VanDerWaalsContact O-CB 3.29Å; D603-E607 WeakPolarHBondContact O-CB 3.4Å; D603-E607 WeakPolarHBondContact O-CG 3.17Å; D603-E607 PolarHBondContact O-N 2.87Å; E607-K609 HydrophobicContact CB-CD 4.45Å; E607-K609 HydrophobicContact CB-CG 4.36Å; E607-K609 WeakPolarHBondContact OE2-CE 3.19Å; E607-K609 IonicContact OE2-NZ 3.56Å; E607-K609 PolarHBondContact OE2-NZ 3.29Å
608V97.1Very high93.8Very high21 Ų2125.1 Ų25.113%0.12713%0.128CC..THydrogen-bonded Turntrans56.153.9-179-164.30000111.5I547 D604 L605 V606 P610 V613I547-V608 HydrophobicContact CB-CG1 4.29Å; I547-V608 HydrophobicContact CB-CG2 4.42Å; I547-V608 HydrophobicContact CD1-CG1 4.49Å; D604-V608 WeakPolarHBondContact O-CA 3.41Å; D604-V608 PolarHBondContact O-N 2.84Å; D604-V608 VanDerWaalsContact O-N 3.17Å; L605-V608 PolarHBondContact O-N 3.05Å; L605-V608 VanDerWaalsContact O-N 3.15Å; V606-V608 VanDerWaalsContact C-N 3.28Å; V606-V608 PolarHBondContact O-N 3.17Å; V608-P610 WeakPolarHBondContact O-CD 3.3Å; V608-V613 HydrophobicContact CG1-CG2 4.46Å
609K94.6Very high93.8Very high93 Ų9326.3 Ų26.340%0.40414%0.136SC..  trans-70107.3174.9-64.5-59.7-169-159.20109.6D604 E607 K611 M612 V613D604-K609 HydrophobicContact CB-CB 4.26Å; D604-K609 HydrophobicContact CB-CG 4.36Å; D604-K609 PolarHBondContact O-N 3.23Å; E607-K609 HydrophobicContact CB-CD 4.45Å; E607-K609 HydrophobicContact CB-CG 4.36Å; E607-K609 WeakPolarHBondContact OE2-CE 3.19Å; E607-K609 IonicContact OE2-NZ 3.56Å; E607-K609 PolarHBondContact OE2-NZ 3.29Å; K609-K611 VanDerWaalsContact C-N 3.29Å; K609-K611 PolarHBondContact O-N 2.94Å; K609-K611 VanDerWaalsContact O-N 3.13Å; K609-M612 HydrophobicContact CB-CB 4.29Å; K609-M612 HydrophobicContact CB-CG 4.49Å; K609-M612 PolarHBondContact O-N 3.44Å; K609-M612 VanDerWaalsContact O-N 3.07Å; K609-V613 WeakPolarHBondContact O-CB 3.46Å; K609-V613 VanDerWaalsContact O-CG2 3.29Å; K609-V613 WeakPolarHBondContact O-CG2 3.21Å; K609-V613 PolarHBondContact O-N 3.33Å
610P92.3Very high94Very high51 Ų5125.5 Ų25.533%0.33113%0.132SC..Hα-helixtrans-63.5-33.9-163.4-26.438.1000114F542 K543 V608 M614F542-P610 HydrophobicContact CB-CB 4.43Å; K543-P610 HydrophobicContact CD-CG 4.38Å; K543-P610 HydrophobicContact CG-CB 3.99Å; K543-P610 HydrophobicContact CG-CG 3.52Å; V608-P610 WeakPolarHBondContact O-CD 3.3Å; P610-M614 VanDerWaalsContact O-CB 3.31Å; P610-M614 WeakPolarHBondContact O-CB 3.24Å; P610-M614 PolarHBondContact O-N 3.37Å
611K90.2Very high94Very high76 Ų7626 Ų2633%0.3314%0.135SC..Hα-helixtrans-59.6-52.3175.4-69.4-175.3-174.3174.30111.3E397 W497 K609 M614 T615E397-K611 IonicContact OE1-NZ 2.78Å; E397-K611 PolarHBondContact OE1-NZ 2.94Å; W497-K611 HydrophobicContact CD2-CB 4.24Å; W497-K611 HydrophobicContact CD2-CD 3.64Å; W497-K611 HydrophobicContact CD2-CG 3.99Å; W497-K611 HydrophobicContact CE3-CB 3.97Å; W497-K611 HydrophobicContact CE3-CD 3.97Å; W497-K611 HydrophobicContact CE3-CG 4.24Å; W497-K611 HydrophobicContact CG-CD 3.96Å; W497-K611 VanDerWaalsContact CH2-CA 3.45Å; W497-K611 HydrophobicContact CH2-CB 3.46Å; W497-K611 VanDerWaalsContact CH2-CB 3.46Å; W497-K611 HydrophobicContact CH2-CG 3.94Å; W497-K611 WeakPolarHBondContact CH2-O 3.24Å; W497-K611 HydrophobicContact CZ2-CB 3.72Å; W497-K611 HydrophobicContact CZ2-CD 4.25Å; W497-K611 HydrophobicContact CZ2-CG 3.63Å; W497-K611 HydrophobicContact CZ3-CB 3.59Å; W497-K611 HydrophobicContact CZ3-CD 4.43Å; W497-K611 HydrophobicContact CZ3-CG 4.23Å; K609-K611 VanDerWaalsContact C-N 3.29Å; K609-K611 PolarHBondContact O-N 2.94Å; K609-K611 VanDerWaalsContact O-N 3.13Å; K611-M614 WeakPolarHBondContact O-CB 3.21Å; K611-M614 PolarHBondContact O-N 3.22Å; K611-T615 PolarHBondContact O-N 3.37Å
612M91.6Very high93.7Very high8 Ų824.8 Ų24.84%0.03913%0.13CC..Hα-helixtrans-74.2-35.7-177.1-63-49.8-66.500112.3T400 A600 D604 K609 M614 T615 V616T400-M612 HydrophobicContact CG2-CE 3.44Å; T400-M612 VanDerWaalsContact CG2-CE 3.44Å; T400-M612 HydrophobicContact CG2-SD 4.25Å; A600-M612 VanDerWaalsContact CA-CE 3.42Å; A600-M612 HydrophobicContact CB-CB 4.22Å; A600-M612 HydrophobicContact CB-CE 3.77Å; D604-M612 HydrophobicContact CB-CB 3.7Å; D604-M612 HydrophobicContact CB-CG 4.24Å; K609-M612 HydrophobicContact CB-CB 4.29Å; K609-M612 HydrophobicContact CB-CG 4.49Å; K609-M612 PolarHBondContact O-N 3.44Å; K609-M612 VanDerWaalsContact O-N 3.07Å; M612-M614 VanDerWaalsContact C-N 3.31Å; M612-M614 PolarHBondContact O-N 3.26Å; M612-T615 PolarHBondContact O-N 3.45Å; M612-T615 PolarHBondContact O-OG1 2.84Å; M612-V616 WeakPolarHBondContact O-CG2 3.38Å; M612-V616 PolarHBondContact O-N 3.31Å
613V95.2Very high93.3Very high0 Ų027.5 Ų27.50%014%0.139CC..Hα-helixtrans-59.9-43.4171.9169.70000110.9F542 I547 L605 V608 K609 T615 V616 F617F542-V613 HydrophobicContact CB-CB 4.45Å; F542-V613 HydrophobicContact CB-CG1 3.98Å; F542-V613 HydrophobicContact CD1-CG1 4.04Å; F542-V613 HydrophobicContact CG-CG1 4.43Å; I547-V613 HydrophobicContact CD1-CG1 3.72Å; I547-V613 HydrophobicContact CG2-CG1 4.1Å; I547-V613 HydrophobicContact CG2-CG2 4.08Å; L605-V613 HydrophobicContact CD2-CG2 4.19Å; V608-V613 HydrophobicContact CG1-CG2 4.46Å; K609-V613 WeakPolarHBondContact O-CB 3.46Å; K609-V613 VanDerWaalsContact O-CG2 3.29Å; K609-V613 WeakPolarHBondContact O-CG2 3.21Å; K609-V613 PolarHBondContact O-N 3.33Å; V613-T615 PolarHBondContact O-N 2.94Å; V613-V616 PolarHBondContact O-N 3.27Å; V613-F617 HydrophobicContact CG1-CD2 3.79Å; V613-F617 HydrophobicContact CG1-CE2 3.67Å; V613-F617 VanDerWaalsContact O-CD2 3.24Å; V613-F617 WeakPolarHBondContact O-CD2 3.4Å; V613-F617 PolarHBondContact O-N 2.9Å; V613-F617 VanDerWaalsContact O-N 3.14Å
614M92.8Very high92.8Very high3 Ų325.6 Ų25.62%0.01513%0.131CC..Hα-helixtrans-59.8-44.5176.6178.2-92.9-17900111.9W497 R501 L505 I522 F542 P610 K611 M612 F617 A618W497-M614 HydrophobicContact CH2-SD 4.43Å; R501-M614 HydrophobicContact CG-CE 4.25Å; L505-M614 HydrophobicContact CD2-CE 3.9Å; L505-M614 HydrophobicContact CG-CE 4.31Å; I522-M614 HydrophobicContact CD1-CE 3.7Å; F542-M614 HydrophobicContact CD1-CB 4.34Å; F542-M614 HydrophobicContact CD2-CB 3.6Å; F542-M614 HydrophobicContact CD2-CG 3.8Å; F542-M614 HydrophobicContact CE1-CB 4.42Å; F542-M614 HydrophobicContact CE2-CB 3.68Å; F542-M614 HydrophobicContact CE2-CG 3.37Å; F542-M614 HydrophobicContact CG-CB 3.94Å; F542-M614 HydrophobicContact CZ-CB 4.1Å; F542-M614 HydrophobicContact CZ-CG 3.81Å; P610-M614 VanDerWaalsContact O-CB 3.31Å; P610-M614 WeakPolarHBondContact O-CB 3.24Å; P610-M614 PolarHBondContact O-N 3.37Å; K611-M614 WeakPolarHBondContact O-CB 3.21Å; K611-M614 PolarHBondContact O-N 3.22Å; M612-M614 VanDerWaalsContact C-N 3.31Å; M612-M614 PolarHBondContact O-N 3.26Å; M614-F617 PolarHBondContact O-N 3.37Å; M614-A618 VanDerWaalsContact O-CB 3.25Å; M614-A618 WeakPolarHBondContact O-CB 3.3Å; M614-A618 PolarHBondContact O-N 3.38Å
615T91.4Very high92.1Very high3 Ų326.9 Ų26.92%0.01814%0.138CC..Hα-helixtrans-66.3-38.1179.260.30000111.9W497 M500 K611 M612 V613 A618 C619W497-T615 HydrophobicContact CH2-CG2 4.09Å; W497-T615 HydrophobicContact CZ3-CG2 3.84Å; M500-T615 HydrophobicContact CE-CG2 4.35Å; K611-T615 PolarHBondContact O-N 3.37Å; M612-T615 PolarHBondContact O-N 3.45Å; M612-T615 PolarHBondContact O-OG1 2.84Å; V613-T615 PolarHBondContact O-N 2.94Å; T615-A618 PolarHBondContact O-N 3.28Å; T615-C619 WeakPolarHBondContact O-CB 3.48Å; T615-C619 PolarHBondContact O-N 2.98Å; T615-C619 PolarHBondContact O-SG 3.47Å
616V94.9Very high90.6Very high1 Ų130.8 Ų30.81%0.00616%0.158CC..Hα-helixtrans-56.5-53173.5167.50000111.4V553 I598 A600 L605 M612 V613 A618 C619 L620V553-V616 HydrophobicContact CG1-CG1 4.1Å; I598-V616 HydrophobicContact CD1-CG1 4.09Å; I598-V616 HydrophobicContact CD1-CG2 4.38Å; I598-V616 HydrophobicContact CG2-CG2 3.83Å; A600-V616 HydrophobicContact CB-CG2 3.47Å; A600-V616 VanDerWaalsContact CB-CG2 3.47Å; L605-V616 HydrophobicContact CD2-CG1 4.41Å; L605-V616 HydrophobicContact CD2-CG2 4.22Å; M612-V616 WeakPolarHBondContact O-CG2 3.38Å; M612-V616 PolarHBondContact O-N 3.31Å; V613-V616 PolarHBondContact O-N 3.27Å; V616-A618 VanDerWaalsContact C-N 3.34Å; V616-A618 PolarHBondContact O-N 3.43Å; V616-C619 PolarHBondContact O-N 2.79Å; V616-L620 HydrophobicContact CG1-CD1 4.13Å; V616-L620 WeakPolarHBondContact O-CG 3.45Å; V616-L620 PolarHBondContact O-N 3.04Å
617F95.6Very high88.6Confident0 Ų037 Ų370%018%0.179CC..Hα-helixtrans-66.2-36.9179.8-76.5-66.9000112.5I522 V526 I539 F542 I547 V553 L556 V613 M614 L620 M621I522-F617 HydrophobicContact CG2-CB 3.94Å; V526-F617 HydrophobicContact CG1-CD1 4.13Å; V526-F617 HydrophobicContact CG1-CE1 3.96Å; V526-F617 HydrophobicContact CG2-CB 4.17Å; V526-F617 HydrophobicContact CG2-CD1 3.54Å; V526-F617 HydrophobicContact CG2-CE1 4.23Å; V526-F617 HydrophobicContact CG2-CG 4.08Å; I539-F617 HydrophobicContact CD1-CD2 4.18Å; I539-F617 HydrophobicContact CD1-CE1 4.26Å; I539-F617 HydrophobicContact CD1-CE2 3.86Å; I539-F617 HydrophobicContact CD1-CZ 3.91Å; I539-F617 HydrophobicContact CG2-CZ 4.45Å; F542-F617 AromaticContact CD1-CD2 3.95Å; F542-F617 HydrophobicContact CD1-CD2 3.95Å; F542-F617 HydrophobicContact CE1-CB 4.06Å; F542-F617 AromaticContact CE1-CD2 3.93Å; F542-F617 HydrophobicContact CE1-CD2 3.93Å; F542-F617 HydrophobicContact CE1-CG 4.3Å; I547-F617 HydrophobicContact CD1-CE2 4.1Å; I547-F617 HydrophobicContact CG1-CE2 4.49Å; V553-F617 HydrophobicContact CG2-CE1 4.27Å; V553-F617 HydrophobicContact CG2-CE2 4.43Å; V553-F617 HydrophobicContact CG2-CZ 3.82Å; L556-F617 HydrophobicContact CD2-CD1 3.45Å; L556-F617 VanDerWaalsContact CD2-CD1 3.45Å; L556-F617 HydrophobicContact CD2-CE1 3.66Å; V613-F617 HydrophobicContact CG1-CD2 3.79Å; V613-F617 HydrophobicContact CG1-CE2 3.67Å; V613-F617 VanDerWaalsContact O-CD2 3.24Å; V613-F617 WeakPolarHBondContact O-CD2 3.4Å; V613-F617 PolarHBondContact O-N 2.9Å; V613-F617 VanDerWaalsContact O-N 3.14Å; M614-F617 PolarHBondContact O-N 3.37Å; F617-L620 PolarHBondContact O-N 2.95Å; F617-M621 WeakPolarHBondContact O-CB 3.38Å; F617-M621 PolarHBondContact O-N 2.74Å
618A91.9Very high86.2Confident1 Ų138.8 Ų38.81%0.00819%0.19CC..Hα-helixtrans-62.9-46.317500000111.8T504 L508 I522 M614 T615 V616 L620 M621 G622T504-A618 HydrophobicContact CG2-CB 3.53Å; L508-A618 HydrophobicContact CD1-CB 3.83Å; L508-A618 WeakPolarHBondContact CD2-O 3.42Å; I522-A618 HydrophobicContact CD1-CB 4.11Å; M614-A618 VanDerWaalsContact O-CB 3.25Å; M614-A618 WeakPolarHBondContact O-CB 3.3Å; M614-A618 PolarHBondContact O-N 3.38Å; T615-A618 PolarHBondContact O-N 3.28Å; V616-A618 VanDerWaalsContact C-N 3.34Å; V616-A618 PolarHBondContact O-N 3.43Å; A618-L620 VanDerWaalsContact C-N 3.33Å; A618-L620 PolarHBondContact O-N 2.92Å; A618-M621 WeakPolarHBondContact O-CB 3.49Å; A618-M621 PolarHBondContact O-N 3.02Å; A618-G622 PolarHBondContact O-N 2.95Å
619C91.3Very high83.2Confident28 Ų2847 Ų4719%0.18922%0.224CC..Hα-helixtrans-63.3-38.7176.8-67.80000112.1A596 R597 I598 T615 V616 G622 K623A596-C619 HydrophobicContact CB-CB 4.31Å; R597-C619 PolarHBondContact O-SG 3.42Å; I598-C619 HydrophobicContact CG1-CB 4.02Å; T615-C619 WeakPolarHBondContact O-CB 3.48Å; T615-C619 PolarHBondContact O-N 2.98Å; T615-C619 PolarHBondContact O-SG 3.47Å; V616-C619 PolarHBondContact O-N 2.79Å; C619-G622 PolarHBondContact O-N 3.32Å; C619-K623 PolarHBondContact O-N 3.22Å; C619-K623 VanDerWaalsContact O-N 3.11Å
620L93.9Very high82.7Confident0 Ų044.8 Ų44.80%022%0.215CC..Hα-helixtrans-65.9-40.2174-72.1173.5000112.3V553 L556 I557 I560 A591 I594 A596 V616 F617 A618 G622 K623 G624V553-L620 HydrophobicContact CG1-CD1 4Å; L556-L620 HydrophobicContact CD2-CB 4.22Å; L556-L620 HydrophobicContact CD2-CD1 3.94Å; I557-L620 HydrophobicContact CG1-CD1 4.11Å; I557-L620 HydrophobicContact CG1-CD2 3.73Å; I560-L620 HydrophobicContact CD1-CB 3.96Å; I560-L620 HydrophobicContact CD1-CD2 4.38Å; A591-L620 HydrophobicContact CB-CD2 3.93Å; I594-L620 HydrophobicContact CD1-CD2 4.08Å; A596-L620 HydrophobicContact CB-CD2 4.09Å; V616-L620 HydrophobicContact CG1-CD1 4.13Å; V616-L620 WeakPolarHBondContact O-CG 3.45Å; V616-L620 PolarHBondContact O-N 3.04Å; F617-L620 PolarHBondContact O-N 2.95Å; A618-L620 VanDerWaalsContact C-N 3.33Å; A618-L620 PolarHBondContact O-N 2.92Å; L620-G622 VanDerWaalsContact C-N 3.35Å; L620-K623 PolarHBondContact O-N 3.42Å; L620-G624 PolarHBondContact O-N 3.07Å
621M91.9Very high82.2Confident12 Ų1244.4 Ų44.46%0.05921%0.209CC..Hα-helixtrans-59.4-45.5172.8-179.1173.8179.900111.7L508 I521 I522 W525 F617 A618 K623 G624 L625L508-M621 HydrophobicContact CD1-SD 4.42Å; L508-M621 HydrophobicContact CD2-CB 4.14Å; L508-M621 HydrophobicContact CD2-CG 4.06Å; I521-M621 HydrophobicContact CG2-CE 4.26Å; I522-M621 HydrophobicContact CB-SD 4.42Å; I522-M621 HydrophobicContact CG1-SD 4.02Å; W525-M621 HydrophobicContact CB-CE 3.95Å; W525-M621 HydrophobicContact CB-SD 4.05Å; W525-M621 HydrophobicContact CD2-CB 4.07Å; W525-M621 HydrophobicContact CD2-CE 4.4Å; W525-M621 HydrophobicContact CD2-CG 3.62Å; W525-M621 HydrophobicContact CD2-SD 4.05Å; W525-M621 HydrophobicContact CE3-CB 3.63Å; W525-M621 HydrophobicContact CE3-CG 3.71Å; W525-M621 HydrophobicContact CE3-SD 4.19Å; W525-M621 HydrophobicContact CG-CE 3.84Å; W525-M621 HydrophobicContact CG-CG 4.06Å; W525-M621 HydrophobicContact CG-SD 3.97Å; W525-M621 VanDerWaalsContact CH2-CA 3.44Å; W525-M621 HydrophobicContact CH2-CB 4.08Å; W525-M621 HydrophobicContact CH2-CG 4.43Å; W525-M621 HydrophobicContact CZ2-CB 4.45Å; W525-M621 HydrophobicContact CZ2-CG 4.33Å; W525-M621 VanDerWaalsContact CZ3-CA 3.46Å; W525-M621 HydrophobicContact CZ3-CB 3.63Å; W525-M621 HydrophobicContact CZ3-CG 4.13Å; F617-M621 WeakPolarHBondContact O-CB 3.38Å; F617-M621 PolarHBondContact O-N 2.74Å; A618-M621 WeakPolarHBondContact O-CB 3.49Å; A618-M621 PolarHBondContact O-N 3.02Å; M621-K623 VanDerWaalsContact C-N 3.26Å; M621-K623 PolarHBondContact O-N 2.74Å; M621-G624 PolarHBondContact O-N 3.11Å; M621-G624 VanDerWaalsContact O-N 3.13Å; M621-L625 HydrophobicContact CE-CD1 3.78Å; M621-L625 HydrophobicContact CG-CD1 3.92Å; M621-L625 HydrophobicContact CG-CG 4.23Å; M621-L625 WeakPolarHBondContact O-CG 3.46Å; M621-L625 PolarHBondContact O-N 3.39Å
622G87.2Confident81.7Confident6 Ų642.7 Ų42.76%0.06220%0.202CC..Hα-helixtrans-59.3-39.9176.800000111.9L508 L511 A618 C619 L620 N626L508-G622 VanDerWaalsContact CD2-CA 3.4Å; L508-G622 VanDerWaalsContact CD2-N 3.28Å; L511-G622 VanDerWaalsContact CD1-O 3.29Å; L511-G622 WeakPolarHBondContact CD1-O 3.2Å; A618-G622 PolarHBondContact O-N 2.95Å; C619-G622 PolarHBondContact O-N 3.32Å; L620-G622 VanDerWaalsContact C-N 3.35Å; G622-N626 PolarHBondContact O-N 3.24Å; G622-N626 PolarHBondContact O-ND2 2.97Å; G622-N626 VanDerWaalsContact O-ND2 3.11Å
623K86.6Confident81.2Confident79 Ų7944.7 Ų44.734%0.34321%0.212SC..Hα-helixtrans-68.6-41174.5-174.566.1-160.1-158.70113I594 C619 L620 M621I594-K623 HydrophobicContact CD1-CG 4.16Å; I594-K623 HydrophobicContact CG1-CG 4.41Å; I594-K623 WeakPolarHBondContact O-CD 3.47Å; I594-K623 WeakPolarHBondContact O-CE 3.37Å; I594-K623 PolarHBondContact O-NZ 3.14Å; C619-K623 PolarHBondContact O-N 3.22Å; C619-K623 VanDerWaalsContact O-N 3.11Å; L620-K623 PolarHBondContact O-N 3.42Å; M621-K623 VanDerWaalsContact C-N 3.26Å; M621-K623 PolarHBondContact O-N 2.74Å
624G83.3Confident80.3Confident7 Ų747.5 Ų47.57%0.07223%0.225CC..Hα-helixtrans-65.5-42.1-179.800000113.5L620 M621 R627L620-G624 PolarHBondContact O-N 3.07Å; M621-G624 PolarHBondContact O-N 3.11Å; M621-G624 VanDerWaalsContact O-N 3.13Å; G624-R627 PolarHBondContact O-N 3.21Å
625L80.9Confident79.4Confident41 Ų4150.5 Ų50.522%0.21524%0.239CC..Hα-helixtrans-69-34.8179.1-67.3177.4000112.8L511 M621 R627 I628L511-L625 HydrophobicContact CB-CB 4.44Å; M621-L625 HydrophobicContact CE-CD1 3.78Å; M621-L625 HydrophobicContact CG-CD1 3.92Å; M621-L625 HydrophobicContact CG-CG 4.23Å; M621-L625 WeakPolarHBondContact O-CG 3.46Å; M621-L625 PolarHBondContact O-N 3.39Å; L625-R627 PolarHBondContact O-N 3.12Å; L625-R627 VanDerWaalsContact O-N 3.1Å; L625-I628 HydrophobicContact CD2-CD1 4.4Å; L625-I628 PolarHBondContact O-N 3.26Å; L625-I628 VanDerWaalsContact O-N 3.13Å
626N66.8Low78.6Confident82 Ų8253.9 Ų53.944%0.43926%0.255SS..THydrogen-bonded Turntrans-61-16.3175.9-89.7-34.6000114.7L511 G622L511-N626 WeakPolarHBondContact CD1-ND2 3.27Å; L511-N626 WeakPolarHBondContact CD2-OD1 3.26Å; G622-N626 PolarHBondContact O-N 3.24Å; G622-N626 PolarHBondContact O-ND2 2.97Å; G622-N626 VanDerWaalsContact O-ND2 3.11Å
627R54.8Low77.3Confident163 Ų16357.9 Ų57.962%0.61527%0.274SS*.THydrogen-bonded Turntrans-90.1-13.5179.6-160.8179.6175.1-171.4-2.3113.2I560 P562 G624 L625I560-R627 PolarHBondContact O-NH1 3.37Å; P562-R627 VanDerWaalsContact CD-NH1 3.34Å; G624-R627 PolarHBondContact O-N 3.21Å; L625-R627 PolarHBondContact O-N 3.12Å; L625-R627 VanDerWaalsContact O-N 3.1Å
628I46.7Very low75.8Confident140 Ų14062.8 Ų62.872%0.71830%0.297SS*.THydrogen-bonded Turntrans-87.8-19-178-58.1175.2000111L625L625-I628 HydrophobicContact CD2-CD1 4.4Å; L625-I628 PolarHBondContact O-N 3.26Å; L625-I628 VanDerWaalsContact O-N 3.13Å
629K34.4Very low74.4Confident194 Ų19468.4 Ų68.484%0.84332%0.323SS*.  trans-90.80166.4-65.8-178.4-176.8173.50109.4L511L511-K629 PolarHBondContact O-NZ 2.75Å

Retrieved 629 of 629 residues in 275.6 ms (Link to these results)

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