G4VLZ3_SCHMA Loading...

OCRE domain-containing protein

AlphaFold DB , UniProt , Accession G4VLZ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 608 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
1M44.4Very low64.2Low241 Ų241158.5 Ų158.5100%1.18774%0.744SS**  0106.50-83.1170.9154.800108.3R3M1-R3 PolarHBondContact O-N 3.47Å
2K45.6Very low66.6Low213 Ų213155.7 Ų155.793%0.92674%0.738SS**PPolyproline II helixtrans-62.9120.3163.6-77.2178.9173.9179.90105.9A4K2-A4 PolarHBondContact O-N 2.89Å
3R46Very low68.8Low245 Ų245152.4 Ų152.493%0.92572%0.722SS**PPolyproline II helixtrans-53.7116.4170.6-99177.7169.8170.2-4.4106.6M1 K5M1-R3 PolarHBondContact O-N 3.47Å; R3-K5 PolarHBondContact O-N 2.82Å
4A52.1Low70.7Confident91 Ų91141.7 Ų141.775%0.75267%0.671SS**PPolyproline II helixtrans-55.1122.1166.800000106.8K2 Q6K2-A4 PolarHBondContact O-N 2.89Å; A4-Q6 PolarHBondContact O-N 3.34Å
5K55.4Low72.4Confident185 Ų185139.1 Ų139.180%0.80465%0.652SS**PPolyproline II helixtrans-59118170.8-149.9178.8179-167.20104.4R3 E7R3-K5 PolarHBondContact O-N 2.82Å; K5-E7 PolarHBondContact O-N 3.03Å; K5-E7 VanDerWaalsContact O-N 3.12Å
6Q55.7Low73.9Confident188 Ų188134.4 Ų134.488%0.87963%0.633SS**PPolyproline II helixtrans-55.5121.7174-87.9173.8-50.600107A4 R8A4-Q6 PolarHBondContact O-N 3.34Å; Q6-R8 PolarHBondContact O-N 3.46Å; Q6-R8 VanDerWaalsContact O-N 3.11Å
7E64.5Low75.3Confident191 Ų191126.7 Ų126.789%0.89360%0.597SS**PPolyproline II helixtrans-57.2116.2173.3-76.9173.3173.300107.4K5 E9K5-E7 PolarHBondContact O-N 3.03Å; K5-E7 VanDerWaalsContact O-N 3.12Å; E7-E9 PolarHBondContact O-N 3.07Å
8R75.9Confident76.5Confident123 Ų123120.3 Ų120.346%0.46457%0.567SS.*PPolyproline II helixtrans-67.7124.6173.3165.2-177.1168171-2.1107Q6 L10 E14 D85Q6-R8 PolarHBondContact O-N 3.46Å; Q6-R8 VanDerWaalsContact O-N 3.11Å; R8-L10 PolarHBondContact O-N 2.77Å; R8-E14 IonicContact CZ-OE1 3.31Å; R8-E14 IonicContact NH2-OE1 3.48Å; R8-E14 PolarHBondContact NH2-OE1 3.39Å; R8-E14 IonicContact NH2-OE2 3.51Å; R8-D85 IonicContact CZ-OD2 3Å; R8-D85 IonicContact NH1-OD1 3.18Å; R8-D85 IonicContact NH1-OD2 3.86Å; R8-D85 PolarHBondContact NH1-OD2 2.84Å; R8-D85 IonicContact NH2-OD1 2.74Å; R8-D85 IonicContact NH2-OD2 3.72Å
9E84.2Confident77.6Confident177 Ų177119.3 Ų119.383%0.82757%0.565SS**PPolyproline II helixtrans-66.5130.8169.5-68.5-175.2174.600109.6E7E7-E9 PolarHBondContact O-N 3.07Å
10L89.3Confident78.6Confident20 Ų20113.4 Ų113.411%0.10554%0.537CS..PPolyproline II helixtrans-64.8137.1173.5-62.8-179.2000110.7R8 E14 R15 V18 C86 E88R8-L10 PolarHBondContact O-N 2.77Å; L10-E14 HydrophobicContact CB-CB 4.19Å; L10-E14 HydrophobicContact CD2-CB 4.13Å; L10-R15 HydrophobicContact CB-CB 4.23Å; L10-R15 HydrophobicContact CD1-CB 4.31Å; L10-R15 PolarHBondContact O-NH2 3.47Å; L10-V18 HydrophobicContact CD1-CG2 4.2Å; L10-C86 WeakPolarHBondContact CD2-SG 3.27Å; L10-E88 WeakPolarHBondContact CD1-OE2 3.5Å; L10-E88 HydrophobicContact CD2-CB 4.41Å
11T92.6Very high79.5Confident69 Ų69108 Ų10842%0.42351%0.512SS..PPolyproline II helixtrans-62.6159.7163.262.40000110.5E13 E14 R15T11-E13 PolarHBondContact O-N 3.41Å; T11-E14 WeakPolarHBondContact CB-OE2 3.39Å; T11-E14 WeakPolarHBondContact CG2-OE2 3.47Å; T11-E14 PolarHBondContact N-OE2 3Å; T11-E14 PolarHBondContact O-N 3.43Å; T11-E14 WeakPolarHBondContact OG1-CB 3.49Å; T11-E14 WeakPolarHBondContact OG1-CG 3.32Å; T11-E14 PolarHBondContact OG1-N 2.92Å; T11-E14 PolarHBondContact OG1-OE2 3.44Å; T11-R15 WeakPolarHBondContact O-CB 3.26Å; T11-R15 PolarHBondContact O-N 2.91Å
12D93.7Very high82.1Confident125 Ų125100 Ų10067%0.66847%0.468SS*.Hα-helixtrans-62.2-34-179.9-66-29.1000112.4R15 N16D12-R15 IonicContact OD1-CZ 2.74Å; D12-R15 IonicContact OD1-NH1 3.69Å; D12-R15 PolarHBondContact OD1-NH1 3.29Å; D12-N16 WeakPolarHBondContact O-CB 3.45Å; D12-N16 PolarHBondContact O-N 2.93Å
13E94.5Very high84.6Confident113 Ų11393.1 Ų93.153%0.52844%0.439SS..Hα-helixtrans-63.8-50.1173.3-68.9-173.7-175.300111.4T11 R15 N16 V17 K82 F83T11-E13 PolarHBondContact O-N 3.41Å; E13-R15 VanDerWaalsContact C-N 3.34Å; E13-R15 PolarHBondContact O-N 3.35Å; E13-N16 PolarHBondContact O-N 2.66Å; E13-V17 WeakPolarHBondContact O-CG2 3.33Å; E13-V17 PolarHBondContact O-N 2.87Å; E13-K82 IonicContact OE2-NZ 3.64Å; E13-K82 PolarHBondContact OE2-NZ 3.02Å; E13-F83 HydrophobicContact CB-CZ 3.97Å
14E95.7Very high87.1Confident3 Ų381.4 Ų81.41%0.01440%0.395CS..Hα-helixtrans-60.7-44.3178.7-71.4165.3152.700111.2R8 L10 T11 N16 V17 V18 F83 I89R8-E14 IonicContact CZ-OE1 3.31Å; R8-E14 IonicContact NH2-OE1 3.48Å; R8-E14 PolarHBondContact NH2-OE1 3.39Å; R8-E14 IonicContact NH2-OE2 3.51Å; L10-E14 HydrophobicContact CB-CB 4.19Å; L10-E14 HydrophobicContact CD2-CB 4.13Å; T11-E14 WeakPolarHBondContact CB-OE2 3.39Å; T11-E14 WeakPolarHBondContact CG2-OE2 3.47Å; T11-E14 PolarHBondContact N-OE2 3Å; T11-E14 PolarHBondContact O-N 3.43Å; T11-E14 WeakPolarHBondContact OG1-CB 3.49Å; T11-E14 WeakPolarHBondContact OG1-CG 3.32Å; T11-E14 PolarHBondContact OG1-N 2.92Å; T11-E14 PolarHBondContact OG1-OE2 3.44Å; E14-N16 VanDerWaalsContact C-N 3.32Å; E14-N16 PolarHBondContact O-N 2.69Å; E14-V17 WeakPolarHBondContact O-CB 3.3Å; E14-V17 PolarHBondContact O-N 2.83Å; E14-V18 WeakPolarHBondContact O-CG2 3.44Å; E14-V18 PolarHBondContact O-N 2.93Å; E14-F83 HydrophobicContact CG-CB 4.37Å; E14-F83 HydrophobicContact CG-CD1 3.53Å; E14-F83 HydrophobicContact CG-CD2 4.3Å; E14-F83 HydrophobicContact CG-CE1 3.71Å; E14-F83 HydrophobicContact CG-CE2 4.45Å; E14-F83 HydrophobicContact CG-CG 3.84Å; E14-F83 HydrophobicContact CG-CZ 4.16Å; E14-I89 HydrophobicContact CB-CD1 3.7Å; E14-I89 HydrophobicContact CG-CD1 3.63Å
15R96.3Very high89.3Confident102 Ų10277.3 Ų77.339%0.38536%0.361SS..Hα-helixtrans-60.8-41.1176.9-168.8-177-61.5116.86.3111.5L10 T11 D12 E13 V18 I19L10-R15 HydrophobicContact CB-CB 4.23Å; L10-R15 HydrophobicContact CD1-CB 4.31Å; L10-R15 PolarHBondContact O-NH2 3.47Å; T11-R15 WeakPolarHBondContact O-CB 3.26Å; T11-R15 PolarHBondContact O-N 2.91Å; D12-R15 IonicContact OD1-CZ 2.74Å; D12-R15 IonicContact OD1-NH1 3.69Å; D12-R15 PolarHBondContact OD1-NH1 3.29Å; E13-R15 VanDerWaalsContact C-N 3.34Å; E13-R15 PolarHBondContact O-N 3.35Å; R15-V18 PolarHBondContact O-N 3.44Å; R15-I19 HydrophobicContact CG-CD1 3.81Å; R15-I19 HydrophobicContact CG-CG1 4.43Å; R15-I19 WeakPolarHBondContact O-CB 3.32Å; R15-I19 VanDerWaalsContact O-CG1 3.26Å; R15-I19 WeakPolarHBondContact O-CG1 3.44Å; R15-I19 PolarHBondContact O-N 2.74Å
16N97Very high91.3Very high64 Ų6476 Ų7634%0.34235%0.351SS..Hα-helixtrans-65.1-39.5177.4-171.441.5000112.2D12 E13 E14 S20 K67D12-N16 WeakPolarHBondContact O-CB 3.45Å; D12-N16 PolarHBondContact O-N 2.93Å; E13-N16 PolarHBondContact O-N 2.66Å; E14-N16 VanDerWaalsContact C-N 3.32Å; E14-N16 PolarHBondContact O-N 2.69Å; N16-S20 VanDerWaalsContact O-CB 3.27Å; N16-S20 WeakPolarHBondContact O-CB 3.28Å; N16-S20 PolarHBondContact O-N 3.05Å; N16-S20 PolarHBondContact O-OG 3.4Å; N16-S20 PolarHBondContact OD1-OG 3.44Å; N16-K67 PolarHBondContact ND2-O 2.89Å
17V97Very high93.4Very high4 Ų470.9 Ų70.92%0.02433%0.327CS..Hα-helixtrans-59-53.2172.6175.20000110.5E13 E14 I19 S20 V21 L68 L79 F80 F83E13-V17 WeakPolarHBondContact O-CG2 3.33Å; E13-V17 PolarHBondContact O-N 2.87Å; E14-V17 WeakPolarHBondContact O-CB 3.3Å; E14-V17 PolarHBondContact O-N 2.83Å; V17-I19 PolarHBondContact O-N 3.27Å; V17-S20 PolarHBondContact O-N 3.44Å; V17-V21 HydrophobicContact CG1-CG2 4.26Å; V17-V21 WeakPolarHBondContact O-CB 3.42Å; V17-V21 VanDerWaalsContact O-CG2 3.32Å; V17-V21 WeakPolarHBondContact O-CG2 3.43Å; V17-V21 PolarHBondContact O-N 3.19Å; V17-L68 HydrophobicContact CB-CD2 4.42Å; V17-L68 HydrophobicContact CG2-CD2 4.04Å; V17-L79 HydrophobicContact CG2-CD1 4.13Å; V17-F80 HydrophobicContact CG1-CD1 4.35Å; V17-F80 HydrophobicContact CG1-CE1 4.01Å; V17-F83 HydrophobicContact CG2-CE2 4.4Å
18V97.2Very high95Very high11 Ų1161.9 Ų61.97%0.06729%0.285CS..Hα-helixtrans-57-49.7-179.5172.30000111.2L10 E14 R15 R22 E88 I89L10-V18 HydrophobicContact CD1-CG2 4.2Å; E14-V18 WeakPolarHBondContact O-CG2 3.44Å; E14-V18 PolarHBondContact O-N 2.93Å; R15-V18 PolarHBondContact O-N 3.44Å; V18-R22 HydrophobicContact CG1-CG 4.48Å; V18-R22 WeakPolarHBondContact O-CB 3.37Å; V18-R22 VanDerWaalsContact O-CG 3.23Å; V18-R22 WeakPolarHBondContact O-CG 3.47Å; V18-R22 PolarHBondContact O-N 3.3Å; V18-R22 VanDerWaalsContact O-N 3.08Å; V18-E88 HydrophobicContact CG2-CB 4.19Å; V18-I89 HydrophobicContact CG2-CG1 3.7Å
19I97.5Very high96Very high102 Ų10258.4 Ų58.452%0.52328%0.276SS..Hα-helixtrans-63.9-50-177.7-68.6169.6000111.1R15 V17 H23R15-I19 HydrophobicContact CG-CD1 3.81Å; R15-I19 HydrophobicContact CG-CG1 4.43Å; R15-I19 WeakPolarHBondContact O-CB 3.32Å; R15-I19 VanDerWaalsContact O-CG1 3.26Å; R15-I19 WeakPolarHBondContact O-CG1 3.44Å; R15-I19 PolarHBondContact O-N 2.74Å; V17-I19 PolarHBondContact O-N 3.27Å; I19-H23 WeakPolarHBondContact O-CB 3.36Å; I19-H23 PolarHBondContact O-N 2.87Å
20S97.8Very high96.7Very high1 Ų154.7 Ų54.71%0.00726%0.261CS..Hα-helixtrans-69.6-43.2-171.9-57.30000112.2N16 V17 C24 K67N16-S20 VanDerWaalsContact O-CB 3.27Å; N16-S20 WeakPolarHBondContact O-CB 3.28Å; N16-S20 PolarHBondContact O-N 3.05Å; N16-S20 PolarHBondContact O-OG 3.4Å; N16-S20 PolarHBondContact OD1-OG 3.44Å; V17-S20 PolarHBondContact O-N 3.44Å; S20-C24 PolarHBondContact O-N 3.08Å; S20-C24 VanDerWaalsContact O-N 3.07Å; S20-K67 WeakPolarHBondContact OG-CB 3.31Å
21V98.2Very high97.1Very high0 Ų054.7 Ų54.70%026%0.262CS..Hα-helixtrans-72.1-43.4-179.7177.70000110.9V17 H23 C24 A25 M64 L68 L76 F80 T92 I96V17-V21 HydrophobicContact CG1-CG2 4.26Å; V17-V21 WeakPolarHBondContact O-CB 3.42Å; V17-V21 VanDerWaalsContact O-CG2 3.32Å; V17-V21 WeakPolarHBondContact O-CG2 3.43Å; V17-V21 PolarHBondContact O-N 3.19Å; V21-H23 VanDerWaalsContact C-N 3.3Å; V21-H23 PolarHBondContact O-N 3.25Å; V21-C24 WeakPolarHBondContact O-CB 3.27Å; V21-C24 PolarHBondContact O-N 3.03Å; V21-A25 PolarHBondContact O-N 3.46Å; V21-M64 HydrophobicContact CB-SD 4.28Å; V21-M64 HydrophobicContact CG1-SD 4.42Å; V21-M64 HydrophobicContact CG2-CG 4.3Å; V21-M64 HydrophobicContact CG2-SD 3.88Å; V21-L68 HydrophobicContact CG2-CD1 4.01Å; V21-L76 HydrophobicContact CG2-CD1 4.05Å; V21-F80 HydrophobicContact CG1-CZ 4.09Å; V21-F80 HydrophobicContact CG2-CE1 4.19Å; V21-F80 HydrophobicContact CG2-CZ 4.15Å; V21-T92 HydrophobicContact CB-CG2 3.45Å; V21-T92 VanDerWaalsContact CB-CG2 3.45Å; V21-T92 HydrophobicContact CG1-CG2 3.47Å; V21-T92 VanDerWaalsContact CG1-CG2 3.47Å; V21-T92 HydrophobicContact CG2-CG2 4.45Å; V21-I96 HydrophobicContact CG1-CB 3.9Å; V21-I96 HydrophobicContact CG1-CD1 3.93Å; V21-I96 HydrophobicContact CG1-CG2 3.72Å
22R97.9Very high97.4Very high72 Ų7251.4 Ų51.427%0.27224%0.241SC..Hα-helixtrans-63.7-36.6175.7-71.6-173.2176.6-161.6-5.8112.2V18 A25 R26 D91 T92V18-R22 HydrophobicContact CG1-CG 4.48Å; V18-R22 WeakPolarHBondContact O-CB 3.37Å; V18-R22 VanDerWaalsContact O-CG 3.23Å; V18-R22 WeakPolarHBondContact O-CG 3.47Å; V18-R22 PolarHBondContact O-N 3.3Å; V18-R22 VanDerWaalsContact O-N 3.08Å; R22-A25 PolarHBondContact O-N 2.9Å; R22-R26 WeakPolarHBondContact O-CG 3.49Å; R22-R26 PolarHBondContact O-N 3.01Å; R22-D91 IonicContact NH2-OD2 3.01Å; R22-T92 HydrophobicContact CG-CG2 3.72Å; R22-T92 PolarHBondContact NE-OG1 3.01Å
23H98.1Very high97.5Very high69 Ų6948.8 Ų48.832%0.31923%0.225SC..Hα-helixtrans-61-48.2173.6179.4-92.9000110.9I19 V21 A25 R26 E27 D63I19-H23 WeakPolarHBondContact O-CB 3.36Å; I19-H23 PolarHBondContact O-N 2.87Å; V21-H23 VanDerWaalsContact C-N 3.3Å; V21-H23 PolarHBondContact O-N 3.25Å; H23-A25 PolarHBondContact O-N 3.23Å; H23-R26 PolarHBondContact O-N 3.15Å; H23-E27 WeakPolarHBondContact O-CG 3.44Å; H23-E27 PolarHBondContact O-N 3.3Å; H23-E27 VanDerWaalsContact O-N 3.09Å; H23-D63 IonicContact CE1-OD2 3.5Å; H23-D63 IonicContact ND1-OD2 2.68Å
24C98.3Very high97.6Very high0 Ų044.2 Ų44.20%021%0.209CC..Hα-helixtrans-58.2-47.8175.9-172.50000112.3S20 V21 R26 E27 L28 M64S20-C24 PolarHBondContact O-N 3.08Å; S20-C24 VanDerWaalsContact O-N 3.07Å; V21-C24 WeakPolarHBondContact O-CB 3.27Å; V21-C24 PolarHBondContact O-N 3.03Å; C24-R26 VanDerWaalsContact C-N 3.34Å; C24-R26 PolarHBondContact O-N 3.39Å; C24-E27 PolarHBondContact O-N 3.13Å; C24-L28 VanDerWaalsContact O-CG 3.28Å; C24-L28 WeakPolarHBondContact O-CG 3.36Å; C24-L28 PolarHBondContact O-N 2.97Å; C24-M64 HydrophobicContact CB-CB 4.02Å; C24-M64 HydrophobicContact CB-CG 4.25Å; C24-M64 HydrophobicContact CB-SD 3.79Å
25A98.3Very high97.7Very high5 Ų544.1 Ų44.14%0.04121%0.208CC..Hα-helixtrans-58.6-43.4179.200000112.4V21 R22 H23 L28 D29 I96V21-A25 PolarHBondContact O-N 3.46Å; R22-A25 PolarHBondContact O-N 2.9Å; H23-A25 PolarHBondContact O-N 3.23Å; A25-L28 PolarHBondContact O-N 3.13Å; A25-D29 PolarHBondContact O-N 3.12Å; A25-I96 HydrophobicContact CB-CB 4.12Å; A25-I96 HydrophobicContact CB-CG1 4.46Å
26R98.2Very high97.7Very high158 Ų15842.4 Ų42.460%0.59620%0.202SC*.Hα-helixtrans-63.4-46.5177.2-71.5177.7-158.7148.94.1112.6R22 H23 C24 L28 D29 D30R22-R26 WeakPolarHBondContact O-CG 3.49Å; R22-R26 PolarHBondContact O-N 3.01Å; H23-R26 PolarHBondContact O-N 3.15Å; C24-R26 VanDerWaalsContact C-N 3.34Å; C24-R26 PolarHBondContact O-N 3.39Å; R26-L28 VanDerWaalsContact C-N 3.29Å; R26-L28 PolarHBondContact O-N 3.17Å; R26-D29 PolarHBondContact O-N 3.25Å; R26-D30 PolarHBondContact O-N 3.43Å
27E98.3Very high97.6Very high80 Ų8047.5 Ų47.537%0.37422%0.216SC..Hα-helixtrans-61.7-39.4178.4-69.8-67.6132.600111.5H23 C24 D30 I31 S60H23-E27 WeakPolarHBondContact O-CG 3.44Å; H23-E27 PolarHBondContact O-N 3.3Å; H23-E27 VanDerWaalsContact O-N 3.09Å; C24-E27 PolarHBondContact O-N 3.13Å; E27-D30 PolarHBondContact O-N 2.92Å; E27-I31 WeakPolarHBondContact O-CD1 3.38Å; E27-I31 VanDerWaalsContact O-CG1 3.24Å; E27-I31 WeakPolarHBondContact O-CG1 2.98Å; E27-I31 PolarHBondContact O-N 3.35Å; E27-S60 WeakPolarHBondContact CB-OG 3.43Å
28L98.3Very high97.6Very high2 Ų252.4 Ų52.41%0.0124%0.237CC..Hα-helixtrans-65.6-42175.3-69174.2000112.1C24 A25 R26 I31 L32 Y61 T99 W103C24-L28 VanDerWaalsContact O-CG 3.28Å; C24-L28 WeakPolarHBondContact O-CG 3.36Å; C24-L28 PolarHBondContact O-N 2.97Å; A25-L28 PolarHBondContact O-N 3.13Å; R26-L28 VanDerWaalsContact C-N 3.29Å; R26-L28 PolarHBondContact O-N 3.17Å; L28-I31 PolarHBondContact O-N 2.73Å; L28-L32 WeakPolarHBondContact O-CB 3.14Å; L28-L32 PolarHBondContact O-N 3.12Å; L28-Y61 HydrophobicContact CD1-CE1 4.12Å; L28-Y61 HydrophobicContact CD1-CE2 3.77Å; L28-Y61 HydrophobicContact CD2-CD2 4.35Å; L28-Y61 HydrophobicContact CD2-CE2 3.9Å; L28-Y61 HydrophobicContact CG-CE2 4.48Å; L28-T99 HydrophobicContact CB-CG2 3.78Å; L28-W103 HydrophobicContact CD2-CZ3 4.34Å
29D98.2Very high97.4Very high49 Ų4952.1 Ų52.126%0.26224%0.236SC..Hα-helixtrans-64.4-42.9174.5-172.157.5000111.3A25 R26 I31 L32 Q33 T99A25-D29 PolarHBondContact O-N 3.12Å; R26-D29 PolarHBondContact O-N 3.25Å; D29-I31 VanDerWaalsContact C-N 3.31Å; D29-I31 PolarHBondContact O-N 3.39Å; D29-L32 CarbonylContact O-C 3.39Å; D29-L32 WeakPolarHBondContact O-CA 3.41Å; D29-L32 WeakPolarHBondContact O-CB 3.43Å; D29-L32 PolarHBondContact O-N 3.46Å; D29-Q33 VanDerWaalsContact O-CG 3.31Å; D29-Q33 WeakPolarHBondContact O-CG 3.49Å; D29-Q33 PolarHBondContact O-N 3.41Å; D29-Q33 PolarHBondContact OD1-NE2 3.27Å; D29-Q33 VanDerWaalsContact OD1-NE2 3.15Å; D29-T99 HydrophobicContact CB-CG2 4.14Å
30D98.1Very high97.3Very high99 Ų9954.9 Ų54.953%0.52925%0.247SC..Hα-helixtrans-58.4-42.2176.9-82-22.5000112.3R26 E27 G34R26-D30 PolarHBondContact O-N 3.43Å; E27-D30 PolarHBondContact O-N 2.92Å; D30-G34 PolarHBondContact O-N 3.21Å
31I98Very high97Very high21 Ų2159.8 Ų59.811%0.10828%0.281CS..Hα-helixtrans-61.3-46.1172.7-67.2162.3000110.2E27 L28 D29 G34 A35 R56 W103E27-I31 WeakPolarHBondContact O-CD1 3.38Å; E27-I31 VanDerWaalsContact O-CG1 3.24Å; E27-I31 WeakPolarHBondContact O-CG1 2.98Å; E27-I31 PolarHBondContact O-N 3.35Å; L28-I31 PolarHBondContact O-N 2.73Å; D29-I31 VanDerWaalsContact C-N 3.31Å; D29-I31 PolarHBondContact O-N 3.39Å; I31-G34 PolarHBondContact O-N 2.93Å; I31-A35 PolarHBondContact O-N 3.26Å; I31-R56 HydrophobicContact CD1-CB 3.73Å; I31-R56 HydrophobicContact CG1-CB 4.29Å; I31-W103 HydrophobicContact CB-CH2 4.49Å; I31-W103 HydrophobicContact CB-CZ3 4.17Å; I31-W103 HydrophobicContact CG2-CH2 3.74Å; I31-W103 HydrophobicContact CG2-CZ3 3.84Å
32L97.9Very high96.7Very high0 Ų063 Ų630%030%0.298CS..Hα-helixtrans-63.2-42.9180-177.260.8000112.3L28 D29 G34 A35 R36 N102 W103 F106L28-L32 WeakPolarHBondContact O-CB 3.14Å; L28-L32 PolarHBondContact O-N 3.12Å; D29-L32 CarbonylContact O-C 3.39Å; D29-L32 WeakPolarHBondContact O-CA 3.41Å; D29-L32 WeakPolarHBondContact O-CB 3.43Å; D29-L32 PolarHBondContact O-N 3.46Å; L32-G34 VanDerWaalsContact C-N 3.32Å; L32-G34 PolarHBondContact O-N 3Å; L32-A35 WeakPolarHBondContact O-CB 3.43Å; L32-A35 PolarHBondContact O-N 3.45Å; L32-R36 WeakPolarHBondContact O-CG 3.38Å; L32-R36 PolarHBondContact O-N 3.42Å; L32-N102 HydrophobicContact CD2-CB 3.91Å; L32-W103 HydrophobicContact CB-CE3 4.02Å; L32-W103 HydrophobicContact CB-CZ3 4.34Å; L32-W103 HydrophobicContact CD1-CE3 4.26Å; L32-W103 HydrophobicContact CD2-CB 4.39Å; L32-F106 HydrophobicContact CD1-CB 3.78Å; L32-F106 HydrophobicContact CD1-CD1 3.61Å; L32-F106 HydrophobicContact CD1-CE1 4.39Å; L32-F106 HydrophobicContact CD1-CG 3.76Å
33Q97Very high96.5Very high69 Ų6961 Ų6132%0.32230%0.295SS..Hα-helixtrans-66.2-36.2175.5-61.1-57.3-18.700111.5D29 R37D29-Q33 VanDerWaalsContact O-CG 3.31Å; D29-Q33 WeakPolarHBondContact O-CG 3.49Å; D29-Q33 PolarHBondContact O-N 3.41Å; D29-Q33 PolarHBondContact OD1-NE2 3.27Å; D29-Q33 VanDerWaalsContact OD1-NE2 3.15Å; Q33-R37 WeakPolarHBondContact O-CG 3.4Å; Q33-R37 PolarHBondContact O-N 3.47Å; Q33-R37 VanDerWaalsContact O-N 3.12Å; Q33-R37 PolarHBondContact O-NE 3.45Å
34G96.7Very high96.2Very high18 Ų1861.6 Ų61.619%0.18630%0.296CS..Hα-helixtrans-61.1-45170.200000112.5D30 I31 L32 K38D30-G34 PolarHBondContact O-N 3.21Å; I31-G34 PolarHBondContact O-N 2.93Å; L32-G34 VanDerWaalsContact C-N 3.32Å; L32-G34 PolarHBondContact O-N 3Å; G34-K38 WeakPolarHBondContact O-CG 3.27Å; G34-K38 PolarHBondContact O-N 3.48Å
35A96.5Very high96Very high0 Ų065 Ų650%032%0.317CS..Hα-helixtrans-63.3-46.6176.500000112I31 L32 R37 K38 A39 F46 M54 F106I31-A35 PolarHBondContact O-N 3.26Å; L32-A35 WeakPolarHBondContact O-CB 3.43Å; L32-A35 PolarHBondContact O-N 3.45Å; A35-R37 PolarHBondContact O-N 3Å; A35-K38 PolarHBondContact O-N 3.04Å; A35-A39 WeakPolarHBondContact O-CB 3.5Å; A35-A39 PolarHBondContact O-N 3.39Å; A35-F46 HydrophobicContact CB-CE1 4.33Å; A35-F46 HydrophobicContact CB-CE2 4.06Å; A35-F46 HydrophobicContact CB-CZ 3.52Å; A35-M54 HydrophobicContact CB-CG 4.34Å; A35-M54 HydrophobicContact CB-SD 4.39Å; A35-F106 HydrophobicContact CB-CE1 3.96Å; A35-F106 HydrophobicContact CB-CZ 4.06Å
36R96.8Very high95.8Very high66 Ų6665 Ų6525%0.24932%0.316CS..Hα-helixtrans-57.6-47177.1-76.5174.1176.7167.3-2112.4L32 K38 A39 Q40 F106L32-R36 WeakPolarHBondContact O-CG 3.38Å; L32-R36 PolarHBondContact O-N 3.42Å; R36-K38 VanDerWaalsContact C-N 3.29Å; R36-K38 PolarHBondContact O-N 3.12Å; R36-A39 PolarHBondContact O-N 3.1Å; R36-Q40 WeakPolarHBondContact O-CB 3.19Å; R36-Q40 VanDerWaalsContact O-CG 3.27Å; R36-Q40 WeakPolarHBondContact O-CG 3.43Å; R36-Q40 PolarHBondContact O-N 3.15Å; R36-F106 HydrophobicContact CG-CD2 3.72Å; R36-F106 HydrophobicContact CG-CE2 3.84Å; R36-F106 HydrophobicContact CG-CG 4.41Å
37R96.1Very high95.6Very high172 Ų17257.5 Ų57.565%0.64929%0.288SS*.Hα-helixtrans-58.8-40.4177.2-75.9-179.3-75.1176.7-6.2112.3Q33 A35Q33-R37 WeakPolarHBondContact O-CG 3.4Å; Q33-R37 PolarHBondContact O-N 3.47Å; Q33-R37 VanDerWaalsContact O-N 3.12Å; Q33-R37 PolarHBondContact O-NE 3.45Å; A35-R37 PolarHBondContact O-N 3Å
38K95.1Very high95.3Very high106 Ų10656 Ų5646%0.46128%0.281SS..Hα-helixtrans-70.4-45.7176.8-69.1178.6-179.9-177.10111.7G34 A35 R36 Q40 S41 F46G34-K38 WeakPolarHBondContact O-CG 3.27Å; G34-K38 PolarHBondContact O-N 3.48Å; A35-K38 PolarHBondContact O-N 3.04Å; R36-K38 VanDerWaalsContact C-N 3.29Å; R36-K38 PolarHBondContact O-N 3.12Å; K38-Q40 VanDerWaalsContact C-N 3.32Å; K38-Q40 PolarHBondContact O-N 3.39Å; K38-S41 PolarHBondContact O-N 3.4Å; K38-S41 PolarHBondContact O-OG 3.48Å; K38-F46 HydrophobicContact CB-CD2 3.63Å; K38-F46 HydrophobicContact CB-CE2 4.1Å; K38-F46 HydrophobicContact CB-CG 4.48Å; K38-F46 HydrophobicContact CD-CD2 4.4Å; K38-F46 HydrophobicContact CD-CE2 4.38Å
39A94.7Very high94.9Very high6 Ų659 Ų595%0.0530%0.299CS..Hα-helixtrans-62.4-36.3178.700000112.6A35 R36 S41 N42 P43 F46 F106 L110A35-A39 WeakPolarHBondContact O-CB 3.5Å; A35-A39 PolarHBondContact O-N 3.39Å; R36-A39 PolarHBondContact O-N 3.1Å; A39-S41 PolarHBondContact O-N 2.9Å; A39-N42 CarbonylContact O-C 3.4Å; A39-N42 VanDerWaalsContact O-C 3.23Å; A39-N42 PolarHBondContact O-N 3.39Å; A39-P43 WeakPolarHBondContact O-CA 3.4Å; A39-P43 VanDerWaalsContact O-CD 3.29Å; A39-P43 WeakPolarHBondContact O-CD 3.48Å; A39-F46 HydrophobicContact CB-CB 4.19Å; A39-F46 HydrophobicContact CB-CD1 3.81Å; A39-F46 HydrophobicContact CB-CE1 4.45Å; A39-F46 HydrophobicContact CB-CG 3.97Å; A39-F106 HydrophobicContact CB-CE2 3.95Å; A39-F106 HydrophobicContact CB-CZ 3.97Å; A39-L110 HydrophobicContact CB-CD1 4.45Å
40Q93.7Very high94.7Very high159 Ų15957.6 Ų57.674%0.74330%0.296SS*.Hα-helixtrans-58.4-32.3175.5-79.5172.1-5.400113.6R36 K38R36-Q40 WeakPolarHBondContact O-CB 3.19Å; R36-Q40 VanDerWaalsContact O-CG 3.27Å; R36-Q40 WeakPolarHBondContact O-CG 3.43Å; R36-Q40 PolarHBondContact O-N 3.15Å; K38-Q40 VanDerWaalsContact C-N 3.32Å; K38-Q40 PolarHBondContact O-N 3.39Å
41S91.6Very high94.5Very high104 Ų10452.9 Ų52.973%0.72727%0.271SS*.Hα-helixtrans-74-42.117969.60000112.3K38 A39K38-S41 PolarHBondContact O-N 3.4Å; K38-S41 PolarHBondContact O-OG 3.48Å; A39-S41 PolarHBondContact O-N 2.9Å
42N93.2Very high94.3Very high69 Ų6953.4 Ų53.437%0.36928%0.276SS..  trans-162.6101.5176.6-171.6-38.4000109.1A39 K44 V45 F46A39-N42 CarbonylContact O-C 3.4Å; A39-N42 VanDerWaalsContact O-C 3.23Å; A39-N42 PolarHBondContact O-N 3.39Å; N42-K44 VanDerWaalsContact C-N 3.29Å; N42-K44 PolarHBondContact O-N 2.84Å; N42-K44 PolarHBondContact OD1-N 3.26Å; N42-V45 HydrophobicContact CB-CB 4.08Å; N42-V45 HydrophobicContact CB-CG2 4.24Å; N42-V45 VanDerWaalsContact CG-CG2 3.47Å; N42-V45 WeakPolarHBondContact ND2-CG2 3.33Å; N42-V45 PolarHBondContact O-N 3.41Å; N42-V45 PolarHBondContact OD1-N 3.36Å; N42-F46 PolarHBondContact O-N 2.94Å; N42-F46 VanDerWaalsContact O-N 3.08Å
43P93.1Very high94.1Very high30 Ų3054.6 Ų54.620%0.19528%0.284CS..Hα-helixtrans-66.5-34.4-174.424.3-32.6000111.6A39 F46 A47 L110 E113A39-P43 WeakPolarHBondContact O-CA 3.4Å; A39-P43 VanDerWaalsContact O-CD 3.29Å; A39-P43 WeakPolarHBondContact O-CD 3.48Å; P43-F46 PolarHBondContact O-N 3.15Å; P43-A47 VanDerWaalsContact O-CB 3.27Å; P43-A47 WeakPolarHBondContact O-CB 3.45Å; P43-A47 PolarHBondContact O-N 3.45Å; P43-L110 HydrophobicContact CB-CD1 3.99Å; P43-E113 WeakPolarHBondContact CB-OE2 3.34Å
44K92.7Very high94Very high81 Ų8151.3 Ų51.335%0.35227%0.268SS..Hα-helixtrans-65.1-50.1178-174.1172.8-178.7172.50112.2N42 F46 A47 E48N42-K44 VanDerWaalsContact C-N 3.29Å; N42-K44 PolarHBondContact O-N 2.84Å; N42-K44 PolarHBondContact OD1-N 3.26Å; K44-F46 VanDerWaalsContact C-N 3.29Å; K44-F46 PolarHBondContact O-N 3.25Å; K44-A47 WeakPolarHBondContact O-CB 3.48Å; K44-A47 PolarHBondContact O-N 3.22Å; K44-E48 WeakPolarHBondContact CE-OE1 3.41Å; K44-E48 HydrophobicContact CG-CG 4.39Å; K44-E48 WeakPolarHBondContact CG-OE1 3.45Å; K44-E48 WeakPolarHBondContact O-CB 3.5Å; K44-E48 VanDerWaalsContact O-CG 3.26Å; K44-E48 WeakPolarHBondContact O-CG 3.34Å; K44-E48 PolarHBondContact O-N 2.94Å
45V93Very high94Very high72 Ų7251.6 Ų51.644%0.43626%0.264SS..Hα-helixtrans-63.4-38.6177.9172.70000111.2N42 E48 T49 G50N42-V45 HydrophobicContact CB-CB 4.08Å; N42-V45 HydrophobicContact CB-CG2 4.24Å; N42-V45 VanDerWaalsContact CG-CG2 3.47Å; N42-V45 WeakPolarHBondContact ND2-CG2 3.33Å; N42-V45 PolarHBondContact O-N 3.41Å; N42-V45 PolarHBondContact OD1-N 3.36Å; V45-E48 PolarHBondContact O-N 2.98Å; V45-T49 PolarHBondContact O-N 3.48Å; V45-T49 VanDerWaalsContact O-N 3.08Å; V45-T49 PolarHBondContact O-OG1 2.85Å; V45-T49 VanDerWaalsContact O-OG1 3.12Å; V45-G50 PolarHBondContact O-N 3.41Å
46F94.2Very high93.9Very high5 Ų559.5 Ų59.52%0.02229%0.294CS..Hα-helixtrans-62-47.9174178.3-99.5000111.3A35 K38 A39 N42 P43 K44 E48 G50 I51 V53 M54 F106 L110A35-F46 HydrophobicContact CB-CE1 4.33Å; A35-F46 HydrophobicContact CB-CE2 4.06Å; A35-F46 HydrophobicContact CB-CZ 3.52Å; K38-F46 HydrophobicContact CB-CD2 3.63Å; K38-F46 HydrophobicContact CB-CE2 4.1Å; K38-F46 HydrophobicContact CB-CG 4.48Å; K38-F46 HydrophobicContact CD-CD2 4.4Å; K38-F46 HydrophobicContact CD-CE2 4.38Å; A39-F46 HydrophobicContact CB-CB 4.19Å; A39-F46 HydrophobicContact CB-CD1 3.81Å; A39-F46 HydrophobicContact CB-CE1 4.45Å; A39-F46 HydrophobicContact CB-CG 3.97Å; N42-F46 PolarHBondContact O-N 2.94Å; N42-F46 VanDerWaalsContact O-N 3.08Å; P43-F46 PolarHBondContact O-N 3.15Å; K44-F46 VanDerWaalsContact C-N 3.29Å; K44-F46 PolarHBondContact O-N 3.25Å; F46-E48 VanDerWaalsContact C-N 3.35Å; F46-E48 PolarHBondContact O-N 2.9Å; F46-G50 WeakPolarHBondContact CE2-O 3.33Å; F46-G50 CarbonylContact O-C 3.43Å; F46-G50 VanDerWaalsContact O-CA 3.29Å; F46-G50 WeakPolarHBondContact O-CA 3.42Å; F46-G50 PolarHBondContact O-N 2.83Å; F46-I51 HydrophobicContact CE1-CB 4.18Å; F46-I51 HydrophobicContact CE1-CG1 4.16Å; F46-I51 HydrophobicContact CZ-CB 4.3Å; F46-I51 HydrophobicContact CZ-CG1 4.37Å; F46-I51 PolarHBondContact O-N 3.38Å; F46-V53 HydrophobicContact CE2-CG1 4.15Å; F46-V53 HydrophobicContact CZ-CG1 4.49Å; F46-M54 HydrophobicContact CE1-SD 4.49Å; F46-M54 HydrophobicContact CZ-SD 4.22Å; F46-F106 HydrophobicContact CD1-CZ 4.31Å; F46-F106 AromaticContact CE1-CE1 3.94Å; F46-F106 HydrophobicContact CE1-CE1 3.94Å; F46-F106 AromaticContact CE1-CZ 3.69Å; F46-F106 HydrophobicContact CE1-CZ 3.69Å; F46-F106 HydrophobicContact CZ-CE1 4.44Å; F46-F106 HydrophobicContact CZ-CZ 4.32Å; F46-L110 HydrophobicContact CD1-CD1 4.15Å; F46-L110 HydrophobicContact CD1-CD2 3.77Å; F46-L110 HydrophobicContact CE1-CD2 3.8Å
47A93.6Very high93.9Very high0 Ų056.3 Ų56.30%028%0.282CS..Hα-helixtrans-59.4-43.8176.600000112.1P43 K44 I51 L110 V114 L248 W280P43-A47 VanDerWaalsContact O-CB 3.27Å; P43-A47 WeakPolarHBondContact O-CB 3.45Å; P43-A47 PolarHBondContact O-N 3.45Å; K44-A47 WeakPolarHBondContact O-CB 3.48Å; K44-A47 PolarHBondContact O-N 3.22Å; A47-I51 WeakPolarHBondContact O-CG2 3.36Å; A47-L110 HydrophobicContact CB-CD1 4.35Å; A47-L110 HydrophobicContact CB-CD2 4.38Å; A47-L110 HydrophobicContact CB-CG 4.36Å; A47-V114 HydrophobicContact CB-CG2 3.46Å; A47-V114 VanDerWaalsContact CB-CG2 3.46Å; A47-L248 HydrophobicContact CB-CD1 3.62Å; A47-W280 WeakPolarHBondContact O-CB 3.41Å
48E92.6Very high94Very high48 Ų4848.3 Ų48.322%0.22425%0.252CS..Hα-helixtrans-69.6-41.8-176-70.8173.3171.900113K44 V45 F46 N279 W280K44-E48 WeakPolarHBondContact CE-OE1 3.41Å; K44-E48 HydrophobicContact CG-CG 4.39Å; K44-E48 WeakPolarHBondContact CG-OE1 3.45Å; K44-E48 WeakPolarHBondContact O-CB 3.5Å; K44-E48 VanDerWaalsContact O-CG 3.26Å; K44-E48 WeakPolarHBondContact O-CG 3.34Å; K44-E48 PolarHBondContact O-N 2.94Å; V45-E48 PolarHBondContact O-N 2.98Å; F46-E48 VanDerWaalsContact C-N 3.35Å; F46-E48 PolarHBondContact O-N 2.9Å; E48-N279 WeakPolarHBondContact CG-OD1 3.36Å; E48-N279 WeakPolarHBondContact O-CA 3.35Å; E48-W280 PolarHBondContact O-N 3.35Å
49T91.2Very high94Very high66 Ų6647.6 Ų47.641%0.40525%0.253SS..THydrogen-bonded Turntrans-134.6-33.6-171.558.10000114.1V45 S52V45-T49 PolarHBondContact O-N 3.48Å; V45-T49 VanDerWaalsContact O-N 3.08Å; V45-T49 PolarHBondContact O-OG1 2.85Å; V45-T49 VanDerWaalsContact O-OG1 3.12Å; T49-S52 PolarHBondContact O-OG 3.32Å; T49-S52 VanDerWaalsContact O-OG 3.13Å
50G92.8Very high94.1Very high18 Ų1847.8 Ų47.819%0.18625%0.254CS..G310 helixtrans-75.2-23.6-173.200000115.2V45 F46 S52 V53V45-G50 PolarHBondContact O-N 3.41Å; F46-G50 WeakPolarHBondContact CE2-O 3.33Å; F46-G50 CarbonylContact O-C 3.43Å; F46-G50 VanDerWaalsContact O-CA 3.29Å; F46-G50 WeakPolarHBondContact O-CA 3.42Å; F46-G50 PolarHBondContact O-N 2.83Å; G50-S52 PolarHBondContact O-N 2.87Å; G50-V53 VanDerWaalsContact O-CG1 3.31Å; G50-V53 WeakPolarHBondContact O-CG1 3.39Å; G50-V53 PolarHBondContact O-N 2.96Å
51I94.6Very high94.3Very high0 Ų040.2 Ų40.20%022%0.219CC..G310 helixtrans-63-24.4-173.8-163.9165.5000113.1F46 A47 V53 M54 L107 L110 L248 W252 W280F46-I51 HydrophobicContact CE1-CB 4.18Å; F46-I51 HydrophobicContact CE1-CG1 4.16Å; F46-I51 HydrophobicContact CZ-CB 4.3Å; F46-I51 HydrophobicContact CZ-CG1 4.37Å; F46-I51 PolarHBondContact O-N 3.38Å; A47-I51 WeakPolarHBondContact O-CG2 3.36Å; I51-V53 PolarHBondContact O-N 3.36Å; I51-M54 HydrophobicContact CD1-SD 4.34Å; I51-M54 HydrophobicContact CG1-CG 4.45Å; I51-M54 HydrophobicContact CG1-SD 3.67Å; I51-M54 VanDerWaalsContact O-CB 3.26Å; I51-M54 WeakPolarHBondContact O-CB 3.43Å; I51-M54 WeakPolarHBondContact O-CG 3.5Å; I51-M54 PolarHBondContact O-N 3.41Å; I51-L107 HydrophobicContact CD1-CD2 3.88Å; I51-L110 HydrophobicContact CD1-CD2 4Å; I51-L248 HydrophobicContact CD1-CB 3.96Å; I51-L248 HydrophobicContact CD1-CD1 4.17Å; I51-L248 HydrophobicContact CD1-CD2 4.13Å; I51-L248 HydrophobicContact CD1-CG 4.31Å; I51-W252 HydrophobicContact CD1-CB 4.23Å; I51-W252 HydrophobicContact CD1-CD2 4.45Å; I51-W252 HydrophobicContact CD1-CG 3.75Å; I51-W252 HydrophobicContact CG1-CD2 4.09Å; I51-W252 HydrophobicContact CG1-CG 3.88Å; I51-W252 HydrophobicContact CG2-CZ2 4.17Å; I51-W280 HydrophobicContact CG2-CB 3.96Å; I51-W280 HydrophobicContact CG2-CD2 4.19Å; I51-W280 HydrophobicContact CG2-CG 3.6Å
52S93.4Very high94.6Very high32 Ų3235.3 Ų35.322%0.22419%0.185CC..G310 helixtrans-53.9-23.9176.359.70000114.1T49 G50 M54 F55T49-S52 PolarHBondContact O-OG 3.32Å; T49-S52 VanDerWaalsContact O-OG 3.13Å; G50-S52 PolarHBondContact O-N 2.87Å; S52-M54 PolarHBondContact O-N 2.84Å; S52-F55 VanDerWaalsContact O-CB 3.26Å; S52-F55 WeakPolarHBondContact O-CB 3.46Å; S52-F55 PolarHBondContact O-N 3Å; S52-F55 VanDerWaalsContact O-N 3.11Å
53V93.4Very high94.7Very high26 Ų2634.4 Ų34.416%0.15818%0.18CC..G310 helixtrans-58.5-27.7174.4750000113F46 G50 I51 F55 R56F46-V53 HydrophobicContact CE2-CG1 4.15Å; F46-V53 HydrophobicContact CZ-CG1 4.49Å; G50-V53 VanDerWaalsContact O-CG1 3.31Å; G50-V53 WeakPolarHBondContact O-CG1 3.39Å; G50-V53 PolarHBondContact O-N 2.96Å; I51-V53 PolarHBondContact O-N 3.36Å; V53-F55 PolarHBondContact O-N 3.01Å; V53-R56 WeakPolarHBondContact O-CG 3.32Å; V53-R56 PolarHBondContact O-N 3.42Å
54M95.5Very high95Very high0 Ų033 Ų330%017%0.171CC..G310 helixtrans-66.2-19.9-179.4-65.5-178.472.600112A35 F46 I51 S52 R56 G57 W103 F106 L107 W252 L257A35-M54 HydrophobicContact CB-CG 4.34Å; A35-M54 HydrophobicContact CB-SD 4.39Å; F46-M54 HydrophobicContact CE1-SD 4.49Å; F46-M54 HydrophobicContact CZ-SD 4.22Å; I51-M54 HydrophobicContact CD1-SD 4.34Å; I51-M54 HydrophobicContact CG1-CG 4.45Å; I51-M54 HydrophobicContact CG1-SD 3.67Å; I51-M54 VanDerWaalsContact O-CB 3.26Å; I51-M54 WeakPolarHBondContact O-CB 3.43Å; I51-M54 WeakPolarHBondContact O-CG 3.5Å; I51-M54 PolarHBondContact O-N 3.41Å; S52-M54 PolarHBondContact O-N 2.84Å; M54-R56 PolarHBondContact O-N 2.96Å; M54-R56 VanDerWaalsContact O-N 3.1Å; M54-G57 PolarHBondContact O-N 2.95Å; M54-G57 VanDerWaalsContact O-N 3.14Å; M54-W103 HydrophobicContact CB-CH2 3.89Å; M54-W103 HydrophobicContact CB-CZ2 3.72Å; M54-W103 HydrophobicContact CE-CD2 3.74Å; M54-W103 HydrophobicContact CE-CE3 4.29Å; M54-W103 HydrophobicContact CE-CG 4.37Å; M54-W103 HydrophobicContact CE-CH2 3.75Å; M54-W103 HydrophobicContact CE-CZ2 3.12Å; M54-W103 HydrophobicContact CE-CZ3 4.29Å; M54-W103 HydrophobicContact CG-CH2 4.21Å; M54-W103 HydrophobicContact CG-CZ2 4.16Å; M54-W103 HydrophobicContact SD-CZ2 4.42Å; M54-F106 HydrophobicContact CE-CD1 4.25Å; M54-F106 HydrophobicContact CE-CE1 4.26Å; M54-F106 HydrophobicContact SD-CE1 4.09Å; M54-L107 HydrophobicContact CE-CD1 4.16Å; M54-L107 HydrophobicContact CE-CD2 3.77Å; M54-L107 HydrophobicContact CE-CG 4.07Å; M54-L107 HydrophobicContact SD-CD2 3.89Å; M54-W252 HydrophobicContact CB-CE3 3.91Å; M54-W252 HydrophobicContact CB-CZ3 4.26Å; M54-L257 VanDerWaalsContact O-CD1 3.29Å; M54-L257 WeakPolarHBondContact O-CD1 3.41Å
55F96Very high95.2Very high24 Ų2429.1 Ų29.111%0.10515%0.154CC..G310 helixtrans-60.3-21.5177.8-163.3-104000113.8S52 V53 G57 V58 W178 P179 W252 L257 L260 I271 P273 P274S52-F55 VanDerWaalsContact O-CB 3.26Å; S52-F55 WeakPolarHBondContact O-CB 3.46Å; S52-F55 PolarHBondContact O-N 3Å; S52-F55 VanDerWaalsContact O-N 3.11Å; V53-F55 PolarHBondContact O-N 3.01Å; F55-G57 PolarHBondContact O-N 3.3Å; F55-G57 VanDerWaalsContact O-N 3.09Å; F55-V58 HydrophobicContact CD2-CG2 4.17Å; F55-V58 HydrophobicContact CE1-CG2 4.27Å; F55-V58 HydrophobicContact CE2-CG2 3.89Å; F55-V58 HydrophobicContact CG-CG2 4.48Å; F55-V58 HydrophobicContact CZ-CG2 3.95Å; F55-V58 WeakPolarHBondContact O-CB 3.4Å; F55-V58 WeakPolarHBondContact O-CG2 3.26Å; F55-V58 PolarHBondContact O-N 2.93Å; F55-V58 VanDerWaalsContact O-N 3.09Å; F55-W178 HydrophobicContact CD2-CH2 4.41Å; F55-P179 HydrophobicContact CE2-CG 4.06Å; F55-P179 HydrophobicContact CZ-CG 4Å; F55-W252 HydrophobicContact CB-CH2 4.05Å; F55-W252 HydrophobicContact CB-CZ3 3.74Å; F55-W252 HydrophobicContact CD2-CH2 4.4Å; F55-W252 HydrophobicContact CD2-CZ3 4.06Å; F55-W252 HydrophobicContact CG-CZ3 4.42Å; F55-L257 HydrophobicContact CD2-CD2 4.21Å; F55-L260 HydrophobicContact CE2-CD1 3.65Å; F55-L260 HydrophobicContact CZ-CD1 4.15Å; F55-I271 HydrophobicContact CZ-CG2 3.84Å; F55-P273 HydrophobicContact CD1-CB 3.81Å; F55-P273 VanDerWaalsContact CE1-CA 3.47Å; F55-P273 HydrophobicContact CE1-CB 3.78Å; F55-P274 HydrophobicContact CD2-CG 3.8Å; F55-P274 HydrophobicContact CE2-CG 3.92Å; F55-P274 HydrophobicContact CG-CG 4.39Å
56R95.2Very high95.4Very high165 Ų16531.5 Ų31.562%0.62316%0.16SC*.G310 helixtrans-56.1-25175-68.7178.1179.7-170.4-2.5113.2I31 V53 M54 V58 D59I31-R56 HydrophobicContact CD1-CB 3.73Å; I31-R56 HydrophobicContact CG1-CB 4.29Å; V53-R56 WeakPolarHBondContact O-CG 3.32Å; V53-R56 PolarHBondContact O-N 3.42Å; M54-R56 PolarHBondContact O-N 2.96Å; M54-R56 VanDerWaalsContact O-N 3.1Å; R56-V58 PolarHBondContact O-N 2.88Å; R56-V58 VanDerWaalsContact O-N 3.12Å; R56-D59 WeakPolarHBondContact O-CB 3.35Å; R56-D59 PolarHBondContact O-N 2.9Å
57G97Very high95.5Very high0 Ų035.8 Ų35.80%018%0.179CC..Hα-helixtrans-59.4-23.7177.100000113.6M54 F55 D59 S60 Y61M54-G57 PolarHBondContact O-N 2.95Å; M54-G57 VanDerWaalsContact O-N 3.14Å; F55-G57 PolarHBondContact O-N 3.3Å; F55-G57 VanDerWaalsContact O-N 3.09Å; G57-D59 PolarHBondContact O-N 3.39Å; G57-S60 PolarHBondContact O-N 3.5Å; G57-Y61 WeakPolarHBondContact O-CD2 3.42Å; G57-Y61 PolarHBondContact O-N 2.93Å
58V97Very high95.6Very high3 Ų336.9 Ų36.92%0.01819%0.185CC..Hα-helixtrans-58.7-37.3174.2176.70000111.7F55 R56 A62 L257 L260 I271F55-V58 HydrophobicContact CD2-CG2 4.17Å; F55-V58 HydrophobicContact CE1-CG2 4.27Å; F55-V58 HydrophobicContact CE2-CG2 3.89Å; F55-V58 HydrophobicContact CG-CG2 4.48Å; F55-V58 HydrophobicContact CZ-CG2 3.95Å; F55-V58 WeakPolarHBondContact O-CB 3.4Å; F55-V58 WeakPolarHBondContact O-CG2 3.26Å; F55-V58 PolarHBondContact O-N 2.93Å; F55-V58 VanDerWaalsContact O-N 3.09Å; R56-V58 PolarHBondContact O-N 2.88Å; R56-V58 VanDerWaalsContact O-N 3.12Å; V58-A62 VanDerWaalsContact O-CB 3.24Å; V58-A62 WeakPolarHBondContact O-CB 3.4Å; V58-A62 PolarHBondContact O-N 3.39Å; V58-L257 HydrophobicContact CG2-CB 4.2Å; V58-L257 HydrophobicContact CG2-CD2 3.83Å; V58-L260 HydrophobicContact CG1-CB 3.98Å; V58-L260 HydrophobicContact CG2-CB 3.84Å; V58-L260 HydrophobicContact CG2-CD1 3.95Å; V58-I271 HydrophobicContact CG1-CD1 4.23Å
59D95.8Very high95.7Very high91 Ų9137.6 Ų37.649%0.48721%0.205SC..Hα-helixtrans-67.7-43.2178.4-64.5-42.8000111R56 G57 A62 D63 R264R56-D59 WeakPolarHBondContact O-CB 3.35Å; R56-D59 PolarHBondContact O-N 2.9Å; G57-D59 PolarHBondContact O-N 3.39Å; D59-A62 PolarHBondContact O-N 3.3Å; D59-D63 WeakPolarHBondContact O-CB 3.35Å; D59-D63 PolarHBondContact O-N 3.39Å; D59-R264 IonicContact OD1-CZ 3.6Å; D59-R264 IonicContact OD1-NH1 3.94Å; D59-R264 PolarHBondContact OD1-NH1 3.2Å; D59-R264 IonicContact OD1-NH2 3.89Å
60S97.3Very high95.9Very high10 Ų1035.2 Ų35.27%0.0719%0.19CC..Hα-helixtrans-61.4-47.1178-47.50000111.9E27 G57 M64E27-S60 WeakPolarHBondContact CB-OG 3.43Å; G57-S60 PolarHBondContact O-N 3.5Å; S60-M64 PolarHBondContact O-N 3.46Å; S60-M64 VanDerWaalsContact O-N 3.14Å
61Y98Very high95.8Very high0 Ų041.4 Ų41.40%021%0.212CC..Hα-helixtrans-64.9-43.2175.6-78-68.6000112L28 G57 D63 M64 Y65 I96 E100 L257 D258L28-Y61 HydrophobicContact CD1-CE1 4.12Å; L28-Y61 HydrophobicContact CD1-CE2 3.77Å; L28-Y61 HydrophobicContact CD2-CD2 4.35Å; L28-Y61 HydrophobicContact CD2-CE2 3.9Å; L28-Y61 HydrophobicContact CG-CE2 4.48Å; G57-Y61 WeakPolarHBondContact O-CD2 3.42Å; G57-Y61 PolarHBondContact O-N 2.93Å; Y61-D63 PolarHBondContact O-N 3.33Å; Y61-M64 HydrophobicContact CD1-CE 3.87Å; Y61-M64 HydrophobicContact CE1-CE 4.44Å; Y61-M64 WeakPolarHBondContact O-CB 3.3Å; Y61-M64 PolarHBondContact O-N 2.99Å; Y61-Y65 WeakPolarHBondContact O-CD2 3.32Å; Y61-Y65 PolarHBondContact O-N 2.9Å; Y61-I96 HydrophobicContact CE1-CD1 4.45Å; Y61-E100 WeakPolarHBondContact OH-CG 3.49Å; Y61-E100 PolarHBondContact OH-OE1 2.91Å; Y61-L257 HydrophobicContact CD2-CB 4.02Å; Y61-L257 HydrophobicContact CE2-CB 4.02Å; Y61-D258 HydrophobicContact CD1-CB 3.93Å; Y61-D258 HydrophobicContact CD2-CB 4.21Å; Y61-D258 HydrophobicContact CE1-CB 3.75Å; Y61-D258 HydrophobicContact CE2-CB 4.05Å; Y61-D258 HydrophobicContact CG-CB 4.16Å
62A96.9Very high95.7Very high2 Ų243.5 Ų43.52%0.01723%0.227CC..Hα-helixtrans-61.1-45.8-18000000112.4V58 D59 M64 Y65 E66 G261 R264V58-A62 VanDerWaalsContact O-CB 3.24Å; V58-A62 WeakPolarHBondContact O-CB 3.4Å; V58-A62 PolarHBondContact O-N 3.39Å; D59-A62 PolarHBondContact O-N 3.3Å; A62-M64 VanDerWaalsContact C-N 3.33Å; A62-M64 PolarHBondContact O-N 2.95Å; A62-Y65 PolarHBondContact O-N 3.16Å; A62-E66 WeakPolarHBondContact O-CB 3.26Å; A62-E66 PolarHBondContact O-N 3.44Å; A62-G261 WeakPolarHBondContact CA-O 3.3Å; A62-R264 HydrophobicContact CB-CB 4.32Å; A62-R264 HydrophobicContact CB-CG 4.22Å
63D96.6Very high95.7Very high49 Ų4944.4 Ų44.426%0.26223%0.226SC..Hα-helixtrans-60.3-41.7176.5177.263.5000111.6H23 D59 Y61 E66 K67H23-D63 IonicContact CE1-OD2 3.5Å; H23-D63 IonicContact ND1-OD2 2.68Å; D59-D63 WeakPolarHBondContact O-CB 3.35Å; D59-D63 PolarHBondContact O-N 3.39Å; Y61-D63 PolarHBondContact O-N 3.33Å; D63-E66 PolarHBondContact O-N 2.84Å; D63-K67 VanDerWaalsContact CG-NZ 3.27Å; D63-K67 WeakPolarHBondContact O-CB 3.35Å; D63-K67 WeakPolarHBondContact O-CG 3.42Å; D63-K67 PolarHBondContact O-N 3.35Å; D63-K67 WeakPolarHBondContact OD1-CE 3.42Å; D63-K67 IonicContact OD1-NZ 2.72Å; D63-K67 PolarHBondContact OD1-NZ 3.03Å; D63-K67 WeakPolarHBondContact OD2-CE 3.41Å; D63-K67 IonicContact OD2-NZ 3.87Å; D63-K67 PolarHBondContact OD2-NZ 2.92Å
64M98Very high95.7Very high0 Ų047.7 Ų47.70%024%0.242CC..Hα-helixtrans-59.6-52.6174.9-176.6-17568.200111.7V21 C24 S60 Y61 A62 E66 K67 L68 L76 I96V21-M64 HydrophobicContact CB-SD 4.28Å; V21-M64 HydrophobicContact CG1-SD 4.42Å; V21-M64 HydrophobicContact CG2-CG 4.3Å; V21-M64 HydrophobicContact CG2-SD 3.88Å; C24-M64 HydrophobicContact CB-CB 4.02Å; C24-M64 HydrophobicContact CB-CG 4.25Å; C24-M64 HydrophobicContact CB-SD 3.79Å; S60-M64 PolarHBondContact O-N 3.46Å; S60-M64 VanDerWaalsContact O-N 3.14Å; Y61-M64 HydrophobicContact CD1-CE 3.87Å; Y61-M64 HydrophobicContact CE1-CE 4.44Å; Y61-M64 WeakPolarHBondContact O-CB 3.3Å; Y61-M64 PolarHBondContact O-N 2.99Å; A62-M64 VanDerWaalsContact C-N 3.33Å; A62-M64 PolarHBondContact O-N 2.95Å; M64-E66 VanDerWaalsContact C-N 3.33Å; M64-E66 PolarHBondContact O-N 2.89Å; M64-K67 PolarHBondContact O-N 3.34Å; M64-L68 HydrophobicContact CG-CD1 3.85Å; M64-L68 WeakPolarHBondContact O-CB 3.46Å; M64-L68 WeakPolarHBondContact O-CG 3.25Å; M64-L68 PolarHBondContact O-N 2.97Å; M64-L76 HydrophobicContact CE-CD2 3.76Å; M64-L76 HydrophobicContact SD-CD2 4.35Å; M64-I96 HydrophobicContact CE-CD1 4.44Å; M64-I96 HydrophobicContact SD-CD1 3.98Å
65Y97.7Very high95.7Very high1 Ų148.3 Ų48.30%0.00425%0.249CC..Hα-helixtrans-63.8-37.9180-76-66.9000113Y61 A62 L68 G69 V70 L76 D258 C262Y61-Y65 WeakPolarHBondContact O-CD2 3.32Å; Y61-Y65 PolarHBondContact O-N 2.9Å; A62-Y65 PolarHBondContact O-N 3.16Å; Y65-L68 PolarHBondContact O-N 3.42Å; Y65-G69 PolarHBondContact O-N 2.93Å; Y65-V70 HydrophobicContact CD1-CB 4.07Å; Y65-V70 HydrophobicContact CD1-CG1 4.01Å; Y65-V70 WeakPolarHBondContact CD1-O 3.43Å; Y65-V70 HydrophobicContact CE1-CG1 4.11Å; Y65-V70 PolarHBondContact O-N 3.27Å; Y65-L76 HydrophobicContact CE1-CB 4.4Å; Y65-D258 WeakPolarHBondContact CE2-OD1 3.32Å; Y65-D258 PolarHBondContact OH-OD1 2.92Å; Y65-C262 HydrophobicContact CD2-CB 3.88Å; Y65-C262 HydrophobicContact CE2-CB 3.66Å; Y65-C262 HydrophobicContact CG-CB 4.48Å
66E95.7Very high95.7Very high121 Ų12147.2 Ų47.257%0.56524%0.244SC*.Hα-helixtrans-62.5-47177.3-174.3170.817800111.5A62 D63 M64 L68 G69 S265A62-E66 WeakPolarHBondContact O-CB 3.26Å; A62-E66 PolarHBondContact O-N 3.44Å; D63-E66 PolarHBondContact O-N 2.84Å; M64-E66 VanDerWaalsContact C-N 3.33Å; M64-E66 PolarHBondContact O-N 2.89Å; E66-L68 VanDerWaalsContact C-N 3.34Å; E66-L68 PolarHBondContact O-N 2.72Å; E66-G69 PolarHBondContact O-N 3.31Å; E66-S265 WeakPolarHBondContact CA-OG 3.47Å; E66-S265 PolarHBondContact N-OG 2.98Å
67K96.5Very high95.8Very high95 Ų9543.9 Ų43.941%0.41324%0.235SC..Hα-helixtrans-66.7-32.6177.7-74171.8176.5161.50113.7N16 S20 D63 M64N16-K67 PolarHBondContact ND2-O 2.89Å; S20-K67 WeakPolarHBondContact OG-CB 3.31Å; D63-K67 VanDerWaalsContact CG-NZ 3.27Å; D63-K67 WeakPolarHBondContact O-CB 3.35Å; D63-K67 WeakPolarHBondContact O-CG 3.42Å; D63-K67 PolarHBondContact O-N 3.35Å; D63-K67 WeakPolarHBondContact OD1-CE 3.42Å; D63-K67 IonicContact OD1-NZ 2.72Å; D63-K67 PolarHBondContact OD1-NZ 3.03Å; D63-K67 WeakPolarHBondContact OD2-CE 3.41Å; D63-K67 IonicContact OD2-NZ 3.87Å; D63-K67 PolarHBondContact OD2-NZ 2.92Å; M64-K67 PolarHBondContact O-N 3.34Å
68L96.6Very high95.8Very high23 Ų2352.1 Ų52.112%0.1227%0.267CS..Hα-helixtrans-84.3-15.9179-63.2179.4000113.3V17 V21 M64 Y65 E66 V70 L76V17-L68 HydrophobicContact CB-CD2 4.42Å; V17-L68 HydrophobicContact CG2-CD2 4.04Å; V21-L68 HydrophobicContact CG2-CD1 4.01Å; M64-L68 HydrophobicContact CG-CD1 3.85Å; M64-L68 WeakPolarHBondContact O-CB 3.46Å; M64-L68 WeakPolarHBondContact O-CG 3.25Å; M64-L68 PolarHBondContact O-N 2.97Å; Y65-L68 PolarHBondContact O-N 3.42Å; E66-L68 VanDerWaalsContact C-N 3.34Å; E66-L68 PolarHBondContact O-N 2.72Å; L68-V70 HydrophobicContact CB-CB 4.31Å; L68-V70 HydrophobicContact CB-CG2 3.93Å; L68-V70 PolarHBondContact O-N 2.85Å; L68-L76 HydrophobicContact CD1-CD1 3.63Å
69G95.1Very high95.7Very high63 Ų6353.6 Ų53.665%0.64927%0.274SS*.THydrogen-bonded Turntrans65.823.7-174.100000113.4Y65 E66Y65-G69 PolarHBondContact O-N 2.93Å; E66-G69 PolarHBondContact O-N 3.31Å
70V94Very high95.7Very high16 Ų1649.4 Ų49.410%0.09725%0.252CS..  trans-100.2140.9-176.2172.70000110.5Y65 L68 S72 L76 L79Y65-V70 HydrophobicContact CD1-CB 4.07Å; Y65-V70 HydrophobicContact CD1-CG1 4.01Å; Y65-V70 WeakPolarHBondContact CD1-O 3.43Å; Y65-V70 HydrophobicContact CE1-CG1 4.11Å; Y65-V70 PolarHBondContact O-N 3.27Å; L68-V70 HydrophobicContact CB-CB 4.31Å; L68-V70 HydrophobicContact CB-CG2 3.93Å; L68-V70 PolarHBondContact O-N 2.85Å; V70-S72 WeakPolarHBondContact CG1-O 3.38Å; V70-L76 HydrophobicContact CG1-CB 4.41Å; V70-L79 HydrophobicContact CG2-CD1 3.49Å; V70-L79 VanDerWaalsContact CG2-CD1 3.49Å; V70-L79 HydrophobicContact CG2-CG 4.31Å
71K91Very high95.7Very high148 Ų14853.7 Ų53.764%0.64328%0.278SS*.  trans-113.213.2-173-62.3-175.7-177.7178.90114.2M266K71-M266 HydrophobicContact CB-CE 4.19Å; K71-M266 HydrophobicContact CB-CG 3.83Å; K71-M266 HydrophobicContact CB-SD 4.31Å; K71-M266 HydrophobicContact CG-CG 4.16Å; K71-M266 WeakPolarHBondContact O-CE 3.36Å
72S92.8Very high95.6Very high45 Ų4559.4 Ų59.432%0.31530%0.302SS..SBendtrans-167.8159.2176.559.50000111.2V70 D74 G75 L76V70-S72 WeakPolarHBondContact CG1-O 3.38Å; S72-D74 VanDerWaalsContact C-N 3.31Å; S72-D74 PolarHBondContact O-N 3.42Å; S72-G75 WeakPolarHBondContact O-CA 3.39Å; S72-G75 PolarHBondContact O-N 2.84Å; S72-G75 PolarHBondContact OG-N 3.35Å; S72-L76 PolarHBondContact O-N 3.3Å
73R93.9Very high95.4Very high51 Ų5160 Ų6019%0.19230%0.304CS..Hα-helixtrans-58.3-42.8169.7-176.160.2175.1-137.63.1111.7G75 L76 E77 E100 D258R73-G75 PolarHBondContact O-N 3.43Å; R73-L76 WeakPolarHBondContact O-CA 3.36Å; R73-L76 WeakPolarHBondContact O-CB 3.38Å; R73-L76 PolarHBondContact O-N 2.92Å; R73-E77 IonicContact NE-OE1 3.77Å; R73-E77 PolarHBondContact O-N 3.45Å; R73-E100 IonicContact CZ-OE1 3.06Å; R73-E100 IonicContact CZ-OE2 2.69Å; R73-E100 IonicContact NH1-OE1 3.79Å; R73-E100 PolarHBondContact NH1-OE1 3.08Å; R73-E100 IonicContact NH1-OE2 2.93Å; R73-E100 IonicContact NH2-OE1 3.89Å; R73-E100 IonicContact NH2-OE2 3.93Å; R73-E100 PolarHBondContact NH2-OE2 3.28Å; R73-D258 WeakPolarHBondContact CD-OD2 3.32Å; R73-D258 IonicContact CZ-OD2 2.65Å; R73-D258 IonicContact NE-OD2 3.66Å; R73-D258 IonicContact NH1-OD2 3.83Å; R73-D258 PolarHBondContact NH1-OD2 3.23Å; R73-D258 VanDerWaalsContact NH1-OD2 3.1Å
74D94.1Very high95.3Very high94 Ų9460.8 Ų60.850%0.50331%0.314SS..Hα-helixtrans-56.3-35.2173.2-605.4000112.7S72 L76 R78S72-D74 VanDerWaalsContact C-N 3.31Å; S72-D74 PolarHBondContact O-N 3.42Å; D74-L76 VanDerWaalsContact C-N 3.33Å; D74-R78 WeakPolarHBondContact O-CB 3.42Å; D74-R78 VanDerWaalsContact O-CG 3.23Å; D74-R78 WeakPolarHBondContact O-CG 3.27Å; D74-R78 PolarHBondContact O-N 2.93Å
75G95Very high95Very high14 Ų1465.7 Ų65.714%0.14434%0.34CS..Hα-helixtrans-67.6-35.6176.300000112.2S72 R73 L79S72-G75 WeakPolarHBondContact O-CA 3.39Å; S72-G75 PolarHBondContact O-N 2.84Å; S72-G75 PolarHBondContact OG-N 3.35Å; R73-G75 PolarHBondContact O-N 3.43Å; G75-L79 PolarHBondContact O-N 3.3Å
76L95.9Very high94.8Very high0 Ų066 Ų660%034%0.342CS..Hα-helixtrans-69.7-44.3175.1177.863.3000110.6V21 M64 Y65 L68 V70 S72 R73 D74 R78 L79 F80V21-L76 HydrophobicContact CG2-CD1 4.05Å; M64-L76 HydrophobicContact CE-CD2 3.76Å; M64-L76 HydrophobicContact SD-CD2 4.35Å; Y65-L76 HydrophobicContact CE1-CB 4.4Å; L68-L76 HydrophobicContact CD1-CD1 3.63Å; V70-L76 HydrophobicContact CG1-CB 4.41Å; S72-L76 PolarHBondContact O-N 3.3Å; R73-L76 WeakPolarHBondContact O-CA 3.36Å; R73-L76 WeakPolarHBondContact O-CB 3.38Å; R73-L76 PolarHBondContact O-N 2.92Å; D74-L76 VanDerWaalsContact C-N 3.33Å; L76-R78 VanDerWaalsContact C-N 3.28Å; L76-R78 PolarHBondContact O-N 2.96Å; L76-L79 WeakPolarHBondContact O-CA 3.45Å; L76-L79 WeakPolarHBondContact O-CB 3.27Å; L76-L79 PolarHBondContact O-N 3.41Å; L76-F80 HydrophobicContact CD1-CE1 4.15Å; L76-F80 HydrophobicContact CD1-CE2 4.19Å; L76-F80 HydrophobicContact CD1-CZ 3.77Å; L76-F80 HydrophobicContact CD2-CE2 4.17Å; L76-F80 HydrophobicContact CD2-CZ 4.21Å; L76-F80 HydrophobicContact CG-CD2 4.44Å; L76-F80 HydrophobicContact CG-CE2 3.76Å; L76-F80 HydrophobicContact CG-CZ 3.84Å; L76-F80 PolarHBondContact O-N 2.86Å
77E96.6Very high94.7Very high95 Ų9566.1 Ų66.144%0.44434%0.343SS..Hα-helixtrans-62.2-35.2176-69.2176.7-176.400112.3R73 L79 F80 T81R73-E77 IonicContact NE-OE1 3.77Å; R73-E77 PolarHBondContact O-N 3.45Å; E77-L79 VanDerWaalsContact C-N 3.32Å; E77-L79 PolarHBondContact O-N 2.94Å; E77-F80 PolarHBondContact O-N 3.41Å; E77-T81 WeakPolarHBondContact O-CB 3.27Å; E77-T81 PolarHBondContact O-N 2.94Å; E77-T81 PolarHBondContact O-OG1 3.38Å
78R96.9Very high94.7Very high173 Ų17365.7 Ų65.765%0.65334%0.342SS*.Hα-helixtrans-64.9-34.3171.2-75174-157.9162.97.6112.5D74 L76 K82D74-R78 WeakPolarHBondContact O-CB 3.42Å; D74-R78 VanDerWaalsContact O-CG 3.23Å; D74-R78 WeakPolarHBondContact O-CG 3.27Å; D74-R78 PolarHBondContact O-N 2.93Å; L76-R78 VanDerWaalsContact C-N 3.28Å; L76-R78 PolarHBondContact O-N 2.96Å; R78-K82 WeakPolarHBondContact O-CB 3.44Å; R78-K82 PolarHBondContact O-N 2.94Å
79L95.4Very high94.6Very high34 Ų3464.6 Ų64.618%0.17834%0.337CS..Hα-helixtrans-66.3-44.4173.1-69.3179.1000111V17 V70 G75 L76 E77 T81 K82 F83V17-L79 HydrophobicContact CG2-CD1 4.13Å; V70-L79 HydrophobicContact CG2-CD1 3.49Å; V70-L79 VanDerWaalsContact CG2-CD1 3.49Å; V70-L79 HydrophobicContact CG2-CG 4.31Å; G75-L79 PolarHBondContact O-N 3.3Å; L76-L79 WeakPolarHBondContact O-CA 3.45Å; L76-L79 WeakPolarHBondContact O-CB 3.27Å; L76-L79 PolarHBondContact O-N 3.41Å; E77-L79 VanDerWaalsContact C-N 3.32Å; E77-L79 PolarHBondContact O-N 2.94Å; L79-T81 VanDerWaalsContact C-N 3.32Å; L79-T81 PolarHBondContact O-N 3.15Å; L79-K82 WeakPolarHBondContact O-CB 3.26Å; L79-K82 PolarHBondContact O-N 2.94Å; L79-F83 HydrophobicContact CD2-CE2 4.26Å; L79-F83 WeakPolarHBondContact O-CD2 3.47Å; L79-F83 PolarHBondContact O-N 3.34Å; L79-F83 VanDerWaalsContact O-N 3.11Å
80F96.6Very high94.6Very high4 Ų465.9 Ų65.92%0.01833%0.326CS..Hα-helixtrans-60.4-43.4174.8-62.5-34.3000112V17 V21 L76 E77 K82 F83 S84 I89 Q93V17-F80 HydrophobicContact CG1-CD1 4.35Å; V17-F80 HydrophobicContact CG1-CE1 4.01Å; V21-F80 HydrophobicContact CG1-CZ 4.09Å; V21-F80 HydrophobicContact CG2-CE1 4.19Å; V21-F80 HydrophobicContact CG2-CZ 4.15Å; L76-F80 HydrophobicContact CD1-CE1 4.15Å; L76-F80 HydrophobicContact CD1-CE2 4.19Å; L76-F80 HydrophobicContact CD1-CZ 3.77Å; L76-F80 HydrophobicContact CD2-CE2 4.17Å; L76-F80 HydrophobicContact CD2-CZ 4.21Å; L76-F80 HydrophobicContact CG-CD2 4.44Å; L76-F80 HydrophobicContact CG-CE2 3.76Å; L76-F80 HydrophobicContact CG-CZ 3.84Å; L76-F80 PolarHBondContact O-N 2.86Å; E77-F80 PolarHBondContact O-N 3.41Å; F80-K82 PolarHBondContact O-N 3.49Å; F80-F83 CarbonylContact O-C 3.58Å; F80-F83 PolarHBondContact O-N 3.43Å; F80-S84 WeakPolarHBondContact O-CA 3.46Å; F80-S84 PolarHBondContact O-N 3.43Å; F80-I89 HydrophobicContact CD1-CG2 3.97Å; F80-Q93 HydrophobicContact CD1-CB 4.23Å; F80-Q93 HydrophobicContact CD2-CB 4.2Å; F80-Q93 HydrophobicContact CD2-CG 3.79Å; F80-Q93 HydrophobicContact CE1-CB 4.28Å; F80-Q93 HydrophobicContact CE2-CB 4.24Å; F80-Q93 HydrophobicContact CE2-CG 3.95Å; F80-Q93 HydrophobicContact CG-CB 4.21Å; F80-Q93 HydrophobicContact CG-CG 4.19Å; F80-Q93 HydrophobicContact CZ-CB 4.29Å; F80-Q93 HydrophobicContact CZ-CG 4.48Å
81T96Very high94.8Very high100 Ų10068.8 Ų68.861%0.61334%0.341SS*.Hα-helixtrans-63.6-43.2176.7-54.50000111.6E77 L79 F83 S84E77-T81 WeakPolarHBondContact O-CB 3.27Å; E77-T81 PolarHBondContact O-N 2.94Å; E77-T81 PolarHBondContact O-OG1 3.38Å; L79-T81 VanDerWaalsContact C-N 3.32Å; L79-T81 PolarHBondContact O-N 3.15Å; T81-F83 PolarHBondContact O-N 3.25Å; T81-S84 WeakPolarHBondContact O-CB 3.4Å; T81-S84 PolarHBondContact O-N 2.77Å; T81-S84 PolarHBondContact O-OG 3.5Å
82K95.7Very high95.1Very high119 Ų11961.8 Ų61.852%0.51731%0.31SS..Hα-helixtrans-57.6-38178.4179.8-173.6174.9-1690111.8E13 R78 L79 F80E13-K82 IonicContact OE2-NZ 3.64Å; E13-K82 PolarHBondContact OE2-NZ 3.02Å; R78-K82 WeakPolarHBondContact O-CB 3.44Å; R78-K82 PolarHBondContact O-N 2.94Å; L79-K82 WeakPolarHBondContact O-CB 3.26Å; L79-K82 PolarHBondContact O-N 2.94Å; F80-K82 PolarHBondContact O-N 3.49Å
83F94.1Very high95.3Very high14 Ų1462.2 Ų62.26%0.06131%0.307CS..THydrogen-bonded Turntrans-112.229.9-176.8-53.8-63.5000113.1E13 E14 V17 L79 F80 T81 D85 C86 I89E13-F83 HydrophobicContact CB-CZ 3.97Å; E14-F83 HydrophobicContact CG-CB 4.37Å; E14-F83 HydrophobicContact CG-CD1 3.53Å; E14-F83 HydrophobicContact CG-CD2 4.3Å; E14-F83 HydrophobicContact CG-CE1 3.71Å; E14-F83 HydrophobicContact CG-CE2 4.45Å; E14-F83 HydrophobicContact CG-CG 3.84Å; E14-F83 HydrophobicContact CG-CZ 4.16Å; V17-F83 HydrophobicContact CG2-CE2 4.4Å; L79-F83 HydrophobicContact CD2-CE2 4.26Å; L79-F83 WeakPolarHBondContact O-CD2 3.47Å; L79-F83 PolarHBondContact O-N 3.34Å; L79-F83 VanDerWaalsContact O-N 3.11Å; F80-F83 CarbonylContact O-C 3.58Å; F80-F83 PolarHBondContact O-N 3.43Å; T81-F83 PolarHBondContact O-N 3.25Å; F83-D85 PolarHBondContact O-N 3.42Å; F83-D85 VanDerWaalsContact O-N 3.09Å; F83-C86 WeakPolarHBondContact O-CB 3.39Å; F83-C86 PolarHBondContact O-N 3.15Å; F83-I89 HydrophobicContact CB-CD1 3.31Å; F83-I89 HydrophobicContact CB-CG1 4.48Å; F83-I89 HydrophobicContact CB-CG2 4.26Å; F83-I89 HydrophobicContact CD2-CD1 3.95Å; F83-I89 HydrophobicContact CG-CD1 3.78Å
84S93Very high95.5Very high67 Ų6764.1 Ų64.147%0.46932%0.322SS..THydrogen-bonded Turntrans-65.2-10.5-177.453.10000113.8F80 T81 Q90F80-S84 WeakPolarHBondContact O-CA 3.46Å; F80-S84 PolarHBondContact O-N 3.43Å; T81-S84 WeakPolarHBondContact O-CB 3.4Å; T81-S84 PolarHBondContact O-N 2.77Å; T81-S84 PolarHBondContact O-OG 3.5Å; S84-Q90 PolarHBondContact O-NE2 2.92Å
85D92.2Very high95.6Very high102 Ų10261.2 Ų61.255%0.54531%0.311SS..THydrogen-bonded Turntrans-85.7-8.9174.665-35000113.6R8 F83R8-D85 IonicContact CZ-OD2 3Å; R8-D85 IonicContact NH1-OD1 3.18Å; R8-D85 IonicContact NH1-OD2 3.86Å; R8-D85 PolarHBondContact NH1-OD2 2.84Å; R8-D85 IonicContact NH2-OD1 2.74Å; R8-D85 IonicContact NH2-OD2 3.72Å; F83-D85 PolarHBondContact O-N 3.42Å; F83-D85 VanDerWaalsContact O-N 3.09Å
86C93.2Very high95.8Very high7 Ų760.6 Ų60.65%0.04730%0.304CS..  trans-95.7113.4-179.8-1780000111.8L10 F83 E88 I89 Q90L10-C86 WeakPolarHBondContact CD2-SG 3.27Å; F83-C86 WeakPolarHBondContact O-CB 3.39Å; F83-C86 PolarHBondContact O-N 3.15Å; C86-E88 VanDerWaalsContact C-N 3.32Å; C86-E88 PolarHBondContact O-N 3.2Å; C86-I89 HydrophobicContact CB-CB 4.15Å; C86-I89 HydrophobicContact CB-CD1 4.07Å; C86-I89 HydrophobicContact CB-CG1 4.22Å; C86-I89 PolarHBondContact O-N 3.4Å; C86-Q90 PolarHBondContact O-N 2.84Å; C86-Q90 VanDerWaalsContact O-N 3.1Å
87E94.6Very high95.9Very high125 Ų12564.8 Ų64.858%0.58432%0.323SS*.Hα-helixtrans-56.6-41.5179.9-169.8171.1177.400112.2I89 Q90 D91E87-I89 PolarHBondContact O-N 3.45Å; E87-Q90 PolarHBondContact O-N 3.42Å; E87-D91 PolarHBondContact O-N 2.9Å
88E94.9Very high95.9Very high85 Ų8566.4 Ų66.440%0.39733%0.331SS..Hα-helixtrans-63.6-28.1177.7-67.3-169.3-142.200113.8L10 V18 C86 T92L10-E88 WeakPolarHBondContact CD1-OE2 3.5Å; L10-E88 HydrophobicContact CD2-CB 4.41Å; V18-E88 HydrophobicContact CG2-CB 4.19Å; C86-E88 VanDerWaalsContact C-N 3.32Å; C86-E88 PolarHBondContact O-N 3.2Å; E88-T92 WeakPolarHBondContact O-CB 3.26Å; E88-T92 PolarHBondContact O-N 3.4Å; E88-T92 VanDerWaalsContact O-N 3.13Å; E88-T92 PolarHBondContact O-OG1 3.49Å
89I95.5Very high96Very high1 Ų158.9 Ų58.91%0.00531%0.305CS..Hα-helixtrans-80.4-39.6177.8-72.6175000110.2E14 V18 F80 F83 C86 E87 T92 Q93E14-I89 HydrophobicContact CB-CD1 3.7Å; E14-I89 HydrophobicContact CG-CD1 3.63Å; V18-I89 HydrophobicContact CG2-CG1 3.7Å; F80-I89 HydrophobicContact CD1-CG2 3.97Å; F83-I89 HydrophobicContact CB-CD1 3.31Å; F83-I89 HydrophobicContact CB-CG1 4.48Å; F83-I89 HydrophobicContact CB-CG2 4.26Å; F83-I89 HydrophobicContact CD2-CD1 3.95Å; F83-I89 HydrophobicContact CG-CD1 3.78Å; C86-I89 HydrophobicContact CB-CB 4.15Å; C86-I89 HydrophobicContact CB-CD1 4.07Å; C86-I89 HydrophobicContact CB-CG1 4.22Å; C86-I89 PolarHBondContact O-N 3.4Å; E87-I89 PolarHBondContact O-N 3.45Å; I89-T92 WeakPolarHBondContact O-CB 3.2Å; I89-T92 PolarHBondContact O-N 3.37Å; I89-T92 VanDerWaalsContact O-N 3.13Å; I89-Q93 PolarHBondContact O-N 2.82Å
90Q96.2Very high96.1Very high90 Ų9057.8 Ų57.842%0.42130%0.299SS..Hα-helixtrans-57.6-50.9170.9-65.6-179.6-2.700110.6S84 C86 E87 T92 Q93 D94S84-Q90 PolarHBondContact O-NE2 2.92Å; C86-Q90 PolarHBondContact O-N 2.84Å; C86-Q90 VanDerWaalsContact O-N 3.1Å; E87-Q90 PolarHBondContact O-N 3.42Å; Q90-T92 PolarHBondContact O-N 2.91Å; Q90-T92 VanDerWaalsContact O-N 3.16Å; Q90-Q93 WeakPolarHBondContact O-CB 3.24Å; Q90-Q93 PolarHBondContact O-N 3.34Å; Q90-Q93 VanDerWaalsContact O-N 3.11Å; Q90-D94 PolarHBondContact O-N 2.82Å
91D96.8Very high96.2Very high77 Ų7758.4 Ų58.441%0.41231%0.306SS..Hα-helixtrans-56.9-34.7175.7-72.5-10000112.4R22 E87 A95R22-D91 IonicContact NH2-OD2 3.01Å; E87-D91 PolarHBondContact O-N 2.9Å; D91-A95 VanDerWaalsContact O-CB 3.31Å; D91-A95 WeakPolarHBondContact O-CB 3.3Å; D91-A95 PolarHBondContact O-N 2.91Å
92T96.9Very high96.3Very high0 Ų056 Ų560%029%0.289CS..Hα-helixtrans-73.5-40.7179.3-640000112.2V21 R22 E88 I89 Q90 A95 I96V21-T92 HydrophobicContact CB-CG2 3.45Å; V21-T92 VanDerWaalsContact CB-CG2 3.45Å; V21-T92 HydrophobicContact CG1-CG2 3.47Å; V21-T92 VanDerWaalsContact CG1-CG2 3.47Å; V21-T92 HydrophobicContact CG2-CG2 4.45Å; R22-T92 HydrophobicContact CG-CG2 3.72Å; R22-T92 PolarHBondContact NE-OG1 3.01Å; E88-T92 WeakPolarHBondContact O-CB 3.26Å; E88-T92 PolarHBondContact O-N 3.4Å; E88-T92 VanDerWaalsContact O-N 3.13Å; E88-T92 PolarHBondContact O-OG1 3.49Å; I89-T92 WeakPolarHBondContact O-CB 3.2Å; I89-T92 PolarHBondContact O-N 3.37Å; I89-T92 VanDerWaalsContact O-N 3.13Å; Q90-T92 PolarHBondContact O-N 2.91Å; Q90-T92 VanDerWaalsContact O-N 3.16Å; T92-A95 PolarHBondContact O-N 2.83Å; T92-I96 PolarHBondContact O-N 2.74Å
93Q97.6Very high96.4Very high54 Ų5450.4 Ų50.425%0.25227%0.265SS..Hα-helixtrans-62.1-48.6172.9178.1179.2-4.400110.1F80 I89 Q90 A95 I96 E97F80-Q93 HydrophobicContact CD1-CB 4.23Å; F80-Q93 HydrophobicContact CD2-CB 4.2Å; F80-Q93 HydrophobicContact CD2-CG 3.79Å; F80-Q93 HydrophobicContact CE1-CB 4.28Å; F80-Q93 HydrophobicContact CE2-CB 4.24Å; F80-Q93 HydrophobicContact CE2-CG 3.95Å; F80-Q93 HydrophobicContact CG-CB 4.21Å; F80-Q93 HydrophobicContact CG-CG 4.19Å; F80-Q93 HydrophobicContact CZ-CB 4.29Å; F80-Q93 HydrophobicContact CZ-CG 4.48Å; I89-Q93 PolarHBondContact O-N 2.82Å; Q90-Q93 WeakPolarHBondContact O-CB 3.24Å; Q90-Q93 PolarHBondContact O-N 3.34Å; Q90-Q93 VanDerWaalsContact O-N 3.11Å; Q93-A95 VanDerWaalsContact C-N 3.28Å; Q93-A95 PolarHBondContact O-N 2.73Å; Q93-I96 WeakPolarHBondContact O-CG2 3.46Å; Q93-I96 PolarHBondContact O-N 2.68Å; Q93-E97 HydrophobicContact CG-CG 4.37Å; Q93-E97 VanDerWaalsContact CG-OE1 3.27Å; Q93-E97 WeakPolarHBondContact CG-OE1 3.44Å; Q93-E97 PolarHBondContact NE2-OE1 3.4Å; Q93-E97 WeakPolarHBondContact O-CB 3.31Å; Q93-E97 WeakPolarHBondContact O-CG 3.41Å; Q93-E97 PolarHBondContact O-N 2.74Å
94D97.8Very high96.5Very high92 Ų9254.6 Ų54.649%0.49228%0.28SS..Hα-helixtrans-58.7-41.1177.9-72.1-10.7000111.4Q90 I96 E97 E98Q90-D94 PolarHBondContact O-N 2.82Å; D94-I96 PolarHBondContact O-N 2.89Å; D94-E97 PolarHBondContact O-N 2.75Å; D94-E98 VanDerWaalsContact O-CB 3.22Å; D94-E98 WeakPolarHBondContact O-CB 3.15Å; D94-E98 PolarHBondContact O-N 3.34Å
95A97.8Very high96.7Very high33 Ų3355.9 Ų55.927%0.27328%0.282SS..Hα-helixtrans-62.7-42.4179.200000113.3D91 T92 Q93 T99D91-A95 VanDerWaalsContact O-CB 3.31Å; D91-A95 WeakPolarHBondContact O-CB 3.3Å; D91-A95 PolarHBondContact O-N 2.91Å; T92-A95 PolarHBondContact O-N 2.83Å; Q93-A95 VanDerWaalsContact C-N 3.28Å; Q93-A95 PolarHBondContact O-N 2.73Å; A95-T99 WeakPolarHBondContact O-CB 3.47Å; A95-T99 PolarHBondContact O-N 2.82Å; A95-T99 VanDerWaalsContact O-N 3.15Å; A95-T99 PolarHBondContact O-OG1 3.09Å
96I97.7Very high97Very high0 Ų052.1 Ų52.10%026%0.26CS..Hα-helixtrans-72.8-40.1177.6-169.3164.8000111.2V21 A25 Y61 M64 T92 Q93 D94 T99 E100V21-I96 HydrophobicContact CG1-CB 3.9Å; V21-I96 HydrophobicContact CG1-CD1 3.93Å; V21-I96 HydrophobicContact CG1-CG2 3.72Å; A25-I96 HydrophobicContact CB-CB 4.12Å; A25-I96 HydrophobicContact CB-CG1 4.46Å; Y61-I96 HydrophobicContact CE1-CD1 4.45Å; M64-I96 HydrophobicContact CE-CD1 4.44Å; M64-I96 HydrophobicContact SD-CD1 3.98Å; T92-I96 PolarHBondContact O-N 2.74Å; Q93-I96 WeakPolarHBondContact O-CG2 3.46Å; Q93-I96 PolarHBondContact O-N 2.68Å; D94-I96 PolarHBondContact O-N 2.89Å; I96-T99 PolarHBondContact O-N 3.49Å; I96-E100 HydrophobicContact CG1-CG 4.44Å; I96-E100 WeakPolarHBondContact O-CB 3.24Å; I96-E100 WeakPolarHBondContact O-CG 3.31Å; I96-E100 PolarHBondContact O-N 2.88Å
97E97.5Very high97.1Very high88 Ų8851.8 Ų51.841%0.41126%0.258SS..Hα-helixtrans-65.1-40.3177.1-71.7-177.3-170.700112.3Q93 D94 E100 G101Q93-E97 HydrophobicContact CG-CG 4.37Å; Q93-E97 VanDerWaalsContact CG-OE1 3.27Å; Q93-E97 WeakPolarHBondContact CG-OE1 3.44Å; Q93-E97 PolarHBondContact NE2-OE1 3.4Å; Q93-E97 WeakPolarHBondContact O-CB 3.31Å; Q93-E97 WeakPolarHBondContact O-CG 3.41Å; Q93-E97 PolarHBondContact O-N 2.74Å; D94-E97 PolarHBondContact O-N 2.75Å; E97-E100 PolarHBondContact O-N 2.79Å; E97-G101 PolarHBondContact O-N 3.09Å
98E98.1Very high97.2Very high130 Ų13048 Ų4861%0.60724%0.244SC*.Hα-helixtrans-63.3-43.8174.6-174.5-175.8173.700110.8D94 G101 N102D94-E98 VanDerWaalsContact O-CB 3.22Å; D94-E98 WeakPolarHBondContact O-CB 3.15Å; D94-E98 PolarHBondContact O-N 3.34Å; E98-G101 PolarHBondContact O-N 3.38Å; E98-N102 WeakPolarHBondContact O-CB 3.41Å; E98-N102 VanDerWaalsContact O-CG 3.31Å; E98-N102 PolarHBondContact O-N 2.86Å; E98-N102 PolarHBondContact O-ND2 3.39Å
99T98.1Very high97.2Very high15 Ų1547.7 Ų47.79%0.09225%0.245CC..Hα-helixtrans-62.3-46.5177.6-57.30000111.1L28 D29 A95 I96 G101 N102 W103L28-T99 HydrophobicContact CB-CG2 3.78Å; D29-T99 HydrophobicContact CB-CG2 4.14Å; A95-T99 WeakPolarHBondContact O-CB 3.47Å; A95-T99 PolarHBondContact O-N 2.82Å; A95-T99 VanDerWaalsContact O-N 3.15Å; A95-T99 PolarHBondContact O-OG1 3.09Å; I96-T99 PolarHBondContact O-N 3.49Å; T99-G101 VanDerWaalsContact C-N 3.32Å; T99-G101 PolarHBondContact O-N 2.95Å; T99-N102 PolarHBondContact O-N 2.91Å; T99-W103 WeakPolarHBondContact O-CB 3.21Å; T99-W103 PolarHBondContact O-N 3.23Å
100E97.7Very high97.2Very high11 Ų1147.8 Ų47.85%0.05125%0.245CC..Hα-helixtrans-62.6-37.4175.2-71.7176.4166.500111.8Y61 R73 I96 E97 W103 R104 A254Y61-E100 WeakPolarHBondContact OH-CG 3.49Å; Y61-E100 PolarHBondContact OH-OE1 2.91Å; R73-E100 IonicContact CZ-OE1 3.06Å; R73-E100 IonicContact CZ-OE2 2.69Å; R73-E100 IonicContact NH1-OE1 3.79Å; R73-E100 PolarHBondContact NH1-OE1 3.08Å; R73-E100 IonicContact NH1-OE2 2.93Å; R73-E100 IonicContact NH2-OE1 3.89Å; R73-E100 IonicContact NH2-OE2 3.93Å; R73-E100 PolarHBondContact NH2-OE2 3.28Å; I96-E100 HydrophobicContact CG1-CG 4.44Å; I96-E100 WeakPolarHBondContact O-CB 3.24Å; I96-E100 WeakPolarHBondContact O-CG 3.31Å; I96-E100 PolarHBondContact O-N 2.88Å; E97-E100 PolarHBondContact O-N 2.79Å; E100-W103 WeakPolarHBondContact O-CB 3.45Å; E100-W103 PolarHBondContact O-N 3.31Å; E100-R104 WeakPolarHBondContact O-CB 3.32Å; E100-R104 PolarHBondContact O-N 3.42Å; E100-A254 HydrophobicContact CB-CB 4.41Å; E100-A254 HydrophobicContact CG-CB 4.1Å
101G97.9Very high97.1Very high16 Ų1644 Ų4417%0.16523%0.228CC..Hα-helixtrans-64.6-45.5173.600000112.9E97 E98 T99 W103 R104 N105E97-G101 PolarHBondContact O-N 3.09Å; E98-G101 PolarHBondContact O-N 3.38Å; T99-G101 VanDerWaalsContact C-N 3.32Å; T99-G101 PolarHBondContact O-N 2.95Å; G101-W103 VanDerWaalsContact C-N 3.32Å; G101-W103 PolarHBondContact O-N 2.85Å; G101-R104 PolarHBondContact O-N 2.89Å; G101-N105 VanDerWaalsContact O-CG 3.31Å; G101-N105 PolarHBondContact O-N 2.91Å; G101-N105 PolarHBondContact O-ND2 3.39Å
102N98.1Very high96.9Very high49 Ų4946.2 Ų46.226%0.26223%0.234SC..Hα-helixtrans-63.2-38.5176.1-78.6-30.6000112.2L32 E98 T99 F106L32-N102 HydrophobicContact CD2-CB 3.91Å; E98-N102 WeakPolarHBondContact O-CB 3.41Å; E98-N102 VanDerWaalsContact O-CG 3.31Å; E98-N102 PolarHBondContact O-N 2.86Å; E98-N102 PolarHBondContact O-ND2 3.39Å; T99-N102 PolarHBondContact O-N 2.91Å; N102-F106 WeakPolarHBondContact O-CB 3.04Å; N102-F106 PolarHBondContact O-N 3.44Å
103W97.9Very high96.5Very high3 Ų350.5 Ų50.51%0.01125%0.254CS..Hα-helixtrans-61.2-48.6173.6-173-74.5000111.6L28 I31 L32 M54 T99 E100 G101 N105 F106 L107 W252 A254 L257L28-W103 HydrophobicContact CD2-CZ3 4.34Å; I31-W103 HydrophobicContact CB-CH2 4.49Å; I31-W103 HydrophobicContact CB-CZ3 4.17Å; I31-W103 HydrophobicContact CG2-CH2 3.74Å; I31-W103 HydrophobicContact CG2-CZ3 3.84Å; L32-W103 HydrophobicContact CB-CE3 4.02Å; L32-W103 HydrophobicContact CB-CZ3 4.34Å; L32-W103 HydrophobicContact CD1-CE3 4.26Å; L32-W103 HydrophobicContact CD2-CB 4.39Å; M54-W103 HydrophobicContact CB-CH2 3.89Å; M54-W103 HydrophobicContact CB-CZ2 3.72Å; M54-W103 HydrophobicContact CE-CD2 3.74Å; M54-W103 HydrophobicContact CE-CE3 4.29Å; M54-W103 HydrophobicContact CE-CG 4.37Å; M54-W103 HydrophobicContact CE-CH2 3.75Å; M54-W103 HydrophobicContact CE-CZ2 3.12Å; M54-W103 HydrophobicContact CE-CZ3 4.29Å; M54-W103 HydrophobicContact CG-CH2 4.21Å; M54-W103 HydrophobicContact CG-CZ2 4.16Å; M54-W103 HydrophobicContact SD-CZ2 4.42Å; T99-W103 WeakPolarHBondContact O-CB 3.21Å; T99-W103 PolarHBondContact O-N 3.23Å; E100-W103 WeakPolarHBondContact O-CB 3.45Å; E100-W103 PolarHBondContact O-N 3.31Å; G101-W103 VanDerWaalsContact C-N 3.32Å; G101-W103 PolarHBondContact O-N 2.85Å; W103-N105 PolarHBondContact O-N 2.83Å; W103-F106 PolarHBondContact O-N 3.01Å; W103-L107 PolarHBondContact O-N 3.42Å; W103-L107 VanDerWaalsContact O-N 3.15Å; W103-W252 PolarHBondContact NE1-O 3.36Å; W103-A254 HydrophobicContact CG-CB 4.21Å; W103-L257 HydrophobicContact CH2-CD1 3.94Å; W103-L257 HydrophobicContact CZ2-CD1 3.43Å; W103-L257 VanDerWaalsContact CZ2-CD1 3.43Å
104R97.1Very high96.1Very high102 Ų10248.1 Ų48.139%0.38524%0.243SC..Hα-helixtrans-60.4-46.5177.5-169.6-176.2-56.2130.20.9111.7E100 G101 F106 L107 V108 E255E100-R104 WeakPolarHBondContact O-CB 3.32Å; E100-R104 PolarHBondContact O-N 3.42Å; G101-R104 PolarHBondContact O-N 2.89Å; R104-F106 VanDerWaalsContact C-N 3.34Å; R104-F106 PolarHBondContact O-N 2.88Å; R104-L107 PolarHBondContact O-N 2.79Å; R104-V108 WeakPolarHBondContact O-CG2 3.36Å; R104-V108 PolarHBondContact O-N 3.02Å; R104-E255 IonicContact CZ-OE1 3.86Å; R104-E255 IonicContact NE-OE1 3.24Å; R104-E255 IonicContact NH2-OE1 3.97Å; R104-E255 PolarHBondContact NH2-OE1 3.32Å
105N97.5Very high95.4Very high94 Ų9446.4 Ų46.450%0.50324%0.236SC..Hα-helixtrans-61.9-41.3179.1-73.5-26.6000112.1G101 W103 V108 N109G101-N105 VanDerWaalsContact O-CG 3.31Å; G101-N105 PolarHBondContact O-N 2.91Å; G101-N105 PolarHBondContact O-ND2 3.39Å; W103-N105 PolarHBondContact O-N 2.83Å; N105-V108 PolarHBondContact O-N 3.38Å; N105-N109 VanDerWaalsContact O-CG 3.29Å; N105-N109 PolarHBondContact O-N 3.36Å; N105-N109 PolarHBondContact O-ND2 3.43Å
106F97.7Very high94.3Very high22 Ų2252.5 Ų52.510%0.09625%0.252CS..Hα-helixtrans-58.4-50175.3167.6-108.4000111.8L32 A35 R36 A39 F46 M54 N102 W103 R104 V108 N109 L110L32-F106 HydrophobicContact CD1-CB 3.78Å; L32-F106 HydrophobicContact CD1-CD1 3.61Å; L32-F106 HydrophobicContact CD1-CE1 4.39Å; L32-F106 HydrophobicContact CD1-CG 3.76Å; A35-F106 HydrophobicContact CB-CE1 3.96Å; A35-F106 HydrophobicContact CB-CZ 4.06Å; R36-F106 HydrophobicContact CG-CD2 3.72Å; R36-F106 HydrophobicContact CG-CE2 3.84Å; R36-F106 HydrophobicContact CG-CG 4.41Å; A39-F106 HydrophobicContact CB-CE2 3.95Å; A39-F106 HydrophobicContact CB-CZ 3.97Å; F46-F106 HydrophobicContact CD1-CZ 4.31Å; F46-F106 AromaticContact CE1-CE1 3.94Å; F46-F106 HydrophobicContact CE1-CE1 3.94Å; F46-F106 AromaticContact CE1-CZ 3.69Å; F46-F106 HydrophobicContact CE1-CZ 3.69Å; F46-F106 HydrophobicContact CZ-CE1 4.44Å; F46-F106 HydrophobicContact CZ-CZ 4.32Å; M54-F106 HydrophobicContact CE-CD1 4.25Å; M54-F106 HydrophobicContact CE-CE1 4.26Å; M54-F106 HydrophobicContact SD-CE1 4.09Å; N102-F106 WeakPolarHBondContact O-CB 3.04Å; N102-F106 PolarHBondContact O-N 3.44Å; W103-F106 PolarHBondContact O-N 3.01Å; R104-F106 VanDerWaalsContact C-N 3.34Å; R104-F106 PolarHBondContact O-N 2.88Å; F106-V108 PolarHBondContact O-N 2.7Å; F106-N109 PolarHBondContact O-N 2.87Å; F106-L110 HydrophobicContact CE1-CD2 4.48Å; F106-L110 HydrophobicContact CZ-CD2 4.42Å; F106-L110 WeakPolarHBondContact O-CB 3.49Å; F106-L110 PolarHBondContact O-N 3Å
107L96.8Very high92.6Very high0 Ų055.7 Ų55.70%027%0.269CS..Hα-helixtrans-67.6-37.2-178.5-66.7171.5000112.9I51 M54 W103 R104 N109 L110 D111 Q249 W252I51-L107 HydrophobicContact CD1-CD2 3.88Å; M54-L107 HydrophobicContact CE-CD1 4.16Å; M54-L107 HydrophobicContact CE-CD2 3.77Å; M54-L107 HydrophobicContact CE-CG 4.07Å; M54-L107 HydrophobicContact SD-CD2 3.89Å; W103-L107 PolarHBondContact O-N 3.42Å; W103-L107 VanDerWaalsContact O-N 3.15Å; R104-L107 PolarHBondContact O-N 2.79Å; L107-N109 VanDerWaalsContact C-N 3.27Å; L107-N109 PolarHBondContact O-N 2.75Å; L107-L110 HydrophobicContact CD2-CD2 4.41Å; L107-L110 PolarHBondContact O-N 3.3Å; L107-D111 PolarHBondContact O-N 3.32Å; L107-Q249 VanDerWaalsContact CB-CA 3.49Å; L107-Q249 HydrophobicContact CB-CB 3.69Å; L107-W252 HydrophobicContact CD1-CB 3.84Å; L107-W252 WeakPolarHBondContact CD1-O 3.47Å; L107-W252 HydrophobicContact CD2-CB 4.13Å
108V95.6Very high90.8Very high47 Ų4755 Ų5529%0.28527%0.266SS..Hα-helixtrans-60.5-40174168.30000111R104 N105 F106 K112 Q249R104-V108 WeakPolarHBondContact O-CG2 3.36Å; R104-V108 PolarHBondContact O-N 3.02Å; N105-V108 PolarHBondContact O-N 3.38Å; F106-V108 PolarHBondContact O-N 2.7Å; V108-K112 HydrophobicContact CG1-CD 4.41Å; V108-K112 VanDerWaalsContact O-CG 3.3Å; V108-K112 WeakPolarHBondContact O-CG 3.45Å; V108-K112 PolarHBondContact O-N 2.71Å; V108-Q249 HydrophobicContact CG2-CB 3.99Å; V108-Q249 HydrophobicContact CG2-CG 4.07Å
109N95.6Very high88.6Confident78 Ų7855.6 Ų55.642%0.41727%0.268SS..Hα-helixtrans-71.3-40.8176.8-69-19.7000111.7N105 F106 L107 D111 K112 E113N105-N109 VanDerWaalsContact O-CG 3.29Å; N105-N109 PolarHBondContact O-N 3.36Å; N105-N109 PolarHBondContact O-ND2 3.43Å; F106-N109 PolarHBondContact O-N 2.87Å; L107-N109 VanDerWaalsContact C-N 3.27Å; L107-N109 PolarHBondContact O-N 2.75Å; N109-D111 PolarHBondContact O-N 3.48Å; N109-K112 WeakPolarHBondContact O-CB 3.22Å; N109-K112 PolarHBondContact O-N 2.54Å; N109-K112 VanDerWaalsContact O-N 3.12Å; N109-E113 WeakPolarHBondContact O-CG 3.46Å; N109-E113 PolarHBondContact O-N 3.38Å
110L94.9Very high86.3Confident2 Ų261.7 Ų61.71%0.0130%0.296CS..Hα-helixtrans-58.5-46.7175.5-175.866.3000111.6A39 P43 F46 A47 I51 F106 L107 K112 E113 V114 L248A39-L110 HydrophobicContact CB-CD1 4.45Å; P43-L110 HydrophobicContact CB-CD1 3.99Å; F46-L110 HydrophobicContact CD1-CD1 4.15Å; F46-L110 HydrophobicContact CD1-CD2 3.77Å; F46-L110 HydrophobicContact CE1-CD2 3.8Å; A47-L110 HydrophobicContact CB-CD1 4.35Å; A47-L110 HydrophobicContact CB-CD2 4.38Å; A47-L110 HydrophobicContact CB-CG 4.36Å; I51-L110 HydrophobicContact CD1-CD2 4Å; F106-L110 HydrophobicContact CE1-CD2 4.48Å; F106-L110 HydrophobicContact CZ-CD2 4.42Å; F106-L110 WeakPolarHBondContact O-CB 3.49Å; F106-L110 PolarHBondContact O-N 3Å; L107-L110 HydrophobicContact CD2-CD2 4.41Å; L107-L110 PolarHBondContact O-N 3.3Å; L110-K112 VanDerWaalsContact C-N 3.3Å; L110-K112 PolarHBondContact O-N 2.72Å; L110-E113 PolarHBondContact O-N 2.74Å; L110-V114 HydrophobicContact CD1-CG2 4.39Å; L110-V114 VanDerWaalsContact O-CG2 3.27Å; L110-V114 WeakPolarHBondContact O-CG2 3.2Å; L110-V114 PolarHBondContact O-N 2.61Å; L110-L248 HydrophobicContact CD2-CD1 4.07Å; L110-L248 HydrophobicContact CG-CD1 4.31Å
111D93.5Very high84.1Confident12 Ų1265 Ų656%0.06432%0.32CS..Hα-helixtrans-59.4-41175-84.2-44.7000112L107 N109 T115 L248 Q249L107-D111 PolarHBondContact O-N 3.32Å; N109-D111 PolarHBondContact O-N 3.48Å; D111-T115 WeakPolarHBondContact O-CB 3.34Å; D111-T115 PolarHBondContact O-N 2.91Å; D111-T115 PolarHBondContact O-OG1 3.45Å; D111-L248 VanDerWaalsContact OD1-CB 3.28Å; D111-L248 WeakPolarHBondContact OD1-CB 3.43Å; D111-L248 VanDerWaalsContact OD1-CG 3.31Å; D111-L248 WeakPolarHBondContact OD1-CG 3.46Å; D111-L248 PolarHBondContact OD1-N 2.86Å; D111-L248 PolarHBondContact OD2-N 3Å; D111-Q249 VanDerWaalsContact OD2-CB 3.29Å; D111-Q249 WeakPolarHBondContact OD2-CB 3.44Å; D111-Q249 WeakPolarHBondContact OD2-CG 3.49Å; D111-Q249 PolarHBondContact OD2-N 3.48Å; D111-Q249 PolarHBondContact OD2-NE2 3.27Å; D111-Q249 PolarHBondContact OD2-OE1 3.44Å
112K92.5Very high81.4Confident122 Ų12269.7 Ų69.753%0.5334%0.341SS..Hα-helixtrans-64.6-43.1177.9-72.8169.3-176.5173.30111.6V108 N109 L110 R116V108-K112 HydrophobicContact CG1-CD 4.41Å; V108-K112 VanDerWaalsContact O-CG 3.3Å; V108-K112 WeakPolarHBondContact O-CG 3.45Å; V108-K112 PolarHBondContact O-N 2.71Å; N109-K112 WeakPolarHBondContact O-CB 3.22Å; N109-K112 PolarHBondContact O-N 2.54Å; N109-K112 VanDerWaalsContact O-N 3.12Å; L110-K112 VanDerWaalsContact C-N 3.3Å; L110-K112 PolarHBondContact O-N 2.72Å; K112-R116 WeakPolarHBondContact O-CB 3.23Å; K112-R116 VanDerWaalsContact O-CG 3.26Å; K112-R116 WeakPolarHBondContact O-CG 3.41Å; K112-R116 PolarHBondContact O-N 2.81Å
113E90.3Very high78.4Confident90 Ų9070.5 Ų70.542%0.42136%0.361SS..Hα-helixtrans-63.3-50179.2-74.3175.1-168.900111.4P43 N109 L110 T115 R116 D117P43-E113 WeakPolarHBondContact CB-OE2 3.34Å; N109-E113 WeakPolarHBondContact O-CG 3.46Å; N109-E113 PolarHBondContact O-N 3.38Å; L110-E113 PolarHBondContact O-N 2.74Å; E113-T115 VanDerWaalsContact C-N 3.32Å; E113-T115 PolarHBondContact O-N 2.75Å; E113-R116 PolarHBondContact O-N 3.3Å; E113-D117 PolarHBondContact O-N 3.35Å
114V87.4Confident75.3Confident5 Ų576.4 Ų76.43%0.0340%0.397CS..Hα-helixtrans-61.7-40178.9176.90000111.6A47 L110 E118A47-V114 HydrophobicContact CB-CG2 3.46Å; A47-V114 VanDerWaalsContact CB-CG2 3.46Å; L110-V114 HydrophobicContact CD1-CG2 4.39Å; L110-V114 VanDerWaalsContact O-CG2 3.27Å; L110-V114 WeakPolarHBondContact O-CG2 3.2Å; L110-V114 PolarHBondContact O-N 2.61Å; V114-E118 PolarHBondContact O-N 3.08Å
115T84.3Confident72.1Confident56 Ų5678.3 Ų78.334%0.34442%0.415SS..Hα-helixtrans-70.6-33.9179.9-49.50000112.5D111 E113 E118 H119D111-T115 WeakPolarHBondContact O-CB 3.34Å; D111-T115 PolarHBondContact O-N 2.91Å; D111-T115 PolarHBondContact O-OG1 3.45Å; E113-T115 VanDerWaalsContact C-N 3.32Å; E113-T115 PolarHBondContact O-N 2.75Å; T115-E118 PolarHBondContact O-N 2.89Å; T115-H119 PolarHBondContact O-CD2 3.31Å; T115-H119 PolarHBondContact O-N 2.9Å
116R75.1Confident68.9Low160 Ų16079.1 Ų79.160%0.60443%0.428SS*.Hα-helixtrans-64.8-41.8177.9-80177.764.8-165.6-4.5111.6K112 E113 E118 H119 E120K112-R116 WeakPolarHBondContact O-CB 3.23Å; K112-R116 VanDerWaalsContact O-CG 3.26Å; K112-R116 WeakPolarHBondContact O-CG 3.41Å; K112-R116 PolarHBondContact O-N 2.81Å; E113-R116 PolarHBondContact O-N 3.3Å; R116-E118 VanDerWaalsContact C-N 3.27Å; R116-E118 PolarHBondContact O-N 3.48Å; R116-H119 PolarHBondContact O-N 3.05Å; R116-H119 VanDerWaalsContact O-N 3.16Å; R116-E120 PolarHBondContact O-N 3.12Å
117D60.9Low65.9Low68 Ų6885.7 Ų85.736%0.36446%0.463SS..Hα-helixtrans-63.1-32.6177.3-73.4-8000112.2E113 S121E113-D117 PolarHBondContact O-N 3.35Å; D117-S121 VanDerWaalsContact O-CB 3.28Å; D117-S121 WeakPolarHBondContact O-CB 3.16Å; D117-S121 PolarHBondContact O-N 3.49Å; D117-S121 PolarHBondContact O-OG 3.07Å
118E59Low62.9Low72 Ų7290.7 Ų90.734%0.33650%0.498SS..Hα-helixtrans-66.1-37.8174.4-70.8177.9-178.100112.5V114 T115 R116 S121 N122V114-E118 PolarHBondContact O-N 3.08Å; T115-E118 PolarHBondContact O-N 2.89Å; R116-E118 VanDerWaalsContact C-N 3.27Å; R116-E118 PolarHBondContact O-N 3.48Å; E118-S121 PolarHBondContact O-OG 3.5Å; E118-N122 WeakPolarHBondContact O-CB 3.45Å; E118-N122 PolarHBondContact O-N 2.96Å; E118-N122 VanDerWaalsContact O-N 3.15Å; E118-N122 PolarHBondContact O-ND2 2.84Å
119H52.9Low60Low144 Ų14498.6 Ų98.667%0.66752%0.523SS*.Hα-helixtrans-77.2-29.8177.6-78.8-66.7000113.7T115 R116T115-H119 PolarHBondContact O-CD2 3.31Å; T115-H119 PolarHBondContact O-N 2.9Å; R116-H119 PolarHBondContact O-N 3.05Å; R116-H119 VanDerWaalsContact O-N 3.16Å
120E50.6Low56.9Low143 Ų14399.5 Ų99.567%0.66853%0.532SS*.Hα-helixtrans-78.9-28.4175.5-71-176.7-168.900112.4R116R116-E120 PolarHBondContact O-N 3.12Å
121S51Low53.9Low80 Ų80107.1 Ų107.156%0.55957%0.568SS**Hα-helixtrans-85.3-27.5178.456.70000114.1D117 E118 G123D117-S121 VanDerWaalsContact O-CB 3.28Å; D117-S121 WeakPolarHBondContact O-CB 3.16Å; D117-S121 PolarHBondContact O-N 3.49Å; D117-S121 PolarHBondContact O-OG 3.07Å; E118-S121 PolarHBondContact O-OG 3.5Å; S121-G123 PolarHBondContact O-N 3.43Å
122N41.5Very low50.8Low114 Ų114112.5 Ų112.561%0.6160%0.597SS**  trans-100.474177.6-69.9-34.8000112.3E118 V124E118-N122 WeakPolarHBondContact O-CB 3.45Å; E118-N122 PolarHBondContact O-N 2.96Å; E118-N122 VanDerWaalsContact O-N 3.15Å; E118-N122 PolarHBondContact O-ND2 2.84Å; N122-V124 PolarHBondContact O-N 3.32Å
123G34.7Very low48Very low66 Ų66112.3 Ų112.368%0.6860%0.601SS**  trans-64.7117.8156.500000109.5S121S121-G123 PolarHBondContact O-N 3.43Å
124V33.5Very low45.4Very low127 Ų127113.7 Ų113.777%0.7762%0.621SS**SBendtrans89.1121.9177.6-166.60000114.6N122N122-V124 PolarHBondContact O-N 3.32Å
125N30.1Very low42.9Very low143 Ų143120.6 Ų120.677%0.76566%0.657SS**  trans84.664.1179.2-57.7-19.6000117I127N125-I127 PolarHBondContact O-N 2.83Å
126S30Very low40.6Very low111 Ų111124.6 Ų124.678%0.77668%0.676SS**  trans-61.599.6152.753.20000109.3S128S126-S128 PolarHBondContact O-N 3.25Å; S126-S128 VanDerWaalsContact O-N 3.17Å
127I35Very low39.4Very low159 Ų159120 Ų12082%0.81568%0.679SS**  trans-62.9116.9159.6-65.6172.7000105.4N125 R129N125-I127 PolarHBondContact O-N 2.83Å; I127-R129 PolarHBondContact O-N 2.9Å; I127-R129 VanDerWaalsContact O-N 3.09Å
128S33.3Very low39.2Very low105 Ų105118.7 Ų118.773%0.73467%0.674SS**  trans-50115.5-17936.50000110.3S126S126-S128 PolarHBondContact O-N 3.25Å; S126-S128 VanDerWaalsContact O-N 3.17Å
129R33.4Very low40.2Very low214 Ų214120 Ų12081%0.80868%0.683SS**  trans-52.9125.6161.4-164.7177.9-176.9-178.40.3106.5I127 E131I127-R129 PolarHBondContact O-N 2.9Å; I127-R129 VanDerWaalsContact O-N 3.09Å; R129-E131 PolarHBondContact O-N 3.26Å
130P31Very low41.8Very low96 Ų96115 Ų11562%0.62366%0.659SS**  trans-70.387.817326.2-28.6000107.9N132 L133P130-N132 VanDerWaalsContact C-N 3.25Å; P130-N132 PolarHBondContact O-N 2.96Å; P130-L133 HydrophobicContact CB-CD1 4.44Å; P130-L133 HydrophobicContact CG-CD1 4.05Å
131E31.8Very low43.4Very low162 Ų162108.3 Ų108.376%0.75763%0.628SS**  trans-67.388.3158.9-67.6-177.2168.200106.5R129R129-E131 PolarHBondContact O-N 3.26Å
132N28.6Very low45.1Very low125 Ų125109 Ų10967%0.66862%0.621SS**  trans177.739.3160.9-87.9-20.8000112.5P130 L136P130-N132 VanDerWaalsContact C-N 3.25Å; P130-N132 PolarHBondContact O-N 2.96Å; N132-L136 HydrophobicContact CB-CD1 4.21Å; N132-L136 WeakPolarHBondContact O-CD1 3.08Å
133L34.2Very low47.1Very low119 Ų119103.6 Ų103.662%0.62359%0.592SS**THydrogen-bonded Turntrans-96.717.7-172.1-105.4137.5000115.5P130P130-L133 HydrophobicContact CB-CD1 4.44Å; P130-L133 HydrophobicContact CG-CD1 4.05Å
134S36.4Very low49.4Very low119 Ų119103.1 Ų103.183%0.83258%0.577SS**THydrogen-bonded Turntrans-110.3-2.4172.6540000114.5
135D33.1Very low51.7Low150 Ų150100.2 Ų100.280%0.80256%0.562SS**SBendtrans-140.210-171.1-118.4-6.6000115.2
136L36.6Very low54.5Low140 Ų14093.9 Ų93.973%0.73353%0.528SS*.  trans-94.9104.5177.2-103.687.9000112.1N132 C138N132-L136 HydrophobicContact CB-CD1 4.21Å; N132-L136 WeakPolarHBondContact O-CD1 3.08Å; L136-C138 PolarHBondContact O-N 3.24Å; L136-C138 VanDerWaalsContact O-N 3.11Å
137G49.4Very low57.6Low64 Ų6490.2 Ų90.266%0.6650%0.502SS*.  trans-53.5106.8172.200000113.3D139G137-D139 VanDerWaalsContact C-N 3.29Å
138C56.8Low60.5Low40 Ų4082.7 Ų82.727%0.2746%0.464SS..  trans-95.563.8153.2-92.20000108.5L136 V362L136-C138 PolarHBondContact O-N 3.24Å; L136-C138 VanDerWaalsContact O-N 3.11Å; C138-V362 VanDerWaalsContact O-CB 3.26Å; C138-V362 WeakPolarHBondContact O-CB 3.17Å; C138-V362 WeakPolarHBondContact O-CG2 3.47Å
139D80.3Confident63.5Low99 Ų9979.1 Ų79.153%0.52944%0.436SS..SBendtrans-72.9-28.8163.1-68.4-14000109.6G137 K361 V362G137-D139 VanDerWaalsContact C-N 3.29Å; D139-K361 CarbonylContact O-C 3.56Å; D139-K361 WeakPolarHBondContact O-CA 3.33Å; D139-V362 PolarHBondContact O-N 3.39Å
140Y86.1Confident66.4Low38 Ų3869.7 Ų69.715%0.14940%0.401CS..EExtended strand (participates in β ladder)trans-140142.7-176.5-59.7-86.3000112.5P295 R350 D351 A354 Q359 V360 K361Y140-P295 HydrophobicContact CD1-CG 4.37Å; Y140-P295 HydrophobicContact CE1-CB 4.23Å; Y140-P295 HydrophobicContact CE1-CG 4.14Å; Y140-R350 HydrophobicContact CE2-CB 3.91Å; Y140-R350 WeakPolarHBondContact OH-CB 3.44Å; Y140-D351 PolarHBondContact OH-N 3.01Å; Y140-D351 PolarHBondContact OH-OD1 3.41Å; Y140-A354 HydrophobicContact CD1-CB 3.28Å; Y140-A354 HydrophobicContact CE1-CB 3.28Å; Y140-A354 HydrophobicContact CG-CB 3.98Å; Y140-Q359 VanDerWaalsContact CB-OE1 3.3Å; Y140-V360 CarbonylContact C-O 3.5Å; Y140-V360 WeakPolarHBondContact CA-O 3.26Å; Y140-K361 HydrophobicContact CD1-CB 3.99Å; Y140-K361 HydrophobicContact CD1-CG 4.3Å; Y140-K361 HydrophobicContact CE1-CB 3.74Å; Y140-K361 HydrophobicContact CE1-CD 4.22Å; Y140-K361 HydrophobicContact CE1-CG 3.79Å
141L85.5Confident69.3Low3 Ų368.1 Ų68.12%0.01638%0.383CS..EExtended strand (participates in β ladder)trans-121136.3176.4-69.2173.9000110.4L143 K241 I242 L292 Q359 V360 V362L141-L143 HydrophobicContact CB-CD2 3.95Å; L141-L143 HydrophobicContact CB-CG 4.4Å; L141-L143 HydrophobicContact CD1-CD2 4.24Å; L141-L143 PolarHBondContact O-N 2.7Å; L141-K241 HydrophobicContact CD2-CG 4.49Å; L141-I242 HydrophobicContact CD1-CD1 3.78Å; L141-I242 HydrophobicContact CD2-CD1 4.39Å; L141-L292 HydrophobicContact CD1-CD2 4.16Å; L141-Q359 WeakPolarHBondContact O-CA 3.31Å; L141-V360 PolarHBondContact N-O 2.72Å; L141-V360 PolarHBondContact O-N 2.59Å; L141-V362 HydrophobicContact CB-CG2 4.5Å; L141-V362 HydrophobicContact CD1-CG2 3.69Å; L141-V362 HydrophobicContact CG-CG2 3.66Å
142F85.2Confident72Confident94 Ų9465.7 Ų65.741%0.41237%0.372SS..  trans-89.692.8164.9-170.7-108000108.6P144 S145 Q359F142-P144 VanDerWaalsContact C-CD 3.47Å; F142-P144 HydrophobicContact CE1-CB 3.91Å; F142-P144 HydrophobicContact CE1-CG 4.24Å; F142-P144 HydrophobicContact CE2-CG 4.08Å; F142-P144 HydrophobicContact CZ-CB 3.93Å; F142-P144 HydrophobicContact CZ-CG 3.92Å; F142-S145 PolarHBondContact O-OG 3.31Å; F142-Q359 HydrophobicContact CB-CG 4.46Å; F142-Q359 HydrophobicContact CD2-CG 4.39Å
143L85Confident75.1Confident1 Ų163.4 Ų63.41%0.00536%0.362CS..G310 helixtrans-68.7-31.3-175.3-62.1177.2000115.3L141 S145 L146 N158 L159 Q160 V163 L292 V360L141-L143 HydrophobicContact CB-CD2 3.95Å; L141-L143 HydrophobicContact CB-CG 4.4Å; L141-L143 HydrophobicContact CD1-CD2 4.24Å; L141-L143 PolarHBondContact O-N 2.7Å; L143-S145 PolarHBondContact O-N 2.81Å; L143-L146 HydrophobicContact CD2-CD1 4.42Å; L143-L146 PolarHBondContact O-N 3.04Å; L143-N158 PolarHBondContact O-OD1 2.86Å; L143-N158 VanDerWaalsContact O-OD1 3.09Å; L143-L159 HydrophobicContact CD1-CB 3.75Å; L143-L159 HydrophobicContact CD2-CB 4.26Å; L143-L159 HydrophobicContact CD2-CD1 4.44Å; L143-L159 HydrophobicContact CG-CB 4.43Å; L143-Q160 HydrophobicContact CB-CB 4.14Å; L143-V163 HydrophobicContact CD1-CG2 4.09Å; L143-L292 HydrophobicContact CD1-CD1 4.13Å; L143-L292 HydrophobicContact CD2-CD1 4.45Å; L143-V360 HydrophobicContact CD1-CB 3.84Å; L143-V360 HydrophobicContact CD1-CG1 4.05Å; L143-V360 HydrophobicContact CD1-CG2 3.64Å; L143-V360 HydrophobicContact CG-CB 4.22Å; L143-V360 HydrophobicContact CG-CG2 4.25Å
144P82.1Confident77.9Confident56 Ų5663.7 Ų63.736%0.36436%0.364SS..G310 helixtrans-60.3-15.6179.4-26.936000115.3F142 L146 N158 Q160F142-P144 VanDerWaalsContact C-CD 3.47Å; F142-P144 HydrophobicContact CE1-CB 3.91Å; F142-P144 HydrophobicContact CE1-CG 4.24Å; F142-P144 HydrophobicContact CE2-CG 4.08Å; F142-P144 HydrophobicContact CZ-CB 3.93Å; F142-P144 HydrophobicContact CZ-CG 3.92Å; P144-L146 VanDerWaalsContact C-N 3.32Å; P144-N158 WeakPolarHBondContact CA-OD1 3.4Å; P144-Q160 HydrophobicContact CG-CG 4.49Å
145S82.8Confident80.7Confident67 Ų6766.7 Ų66.747%0.46936%0.358SS..G310 helixtrans-88.9517464.60000113.7F142 L143 P147F142-S145 PolarHBondContact O-OG 3.31Å; L143-S145 PolarHBondContact O-N 2.81Å; S145-P147 WeakPolarHBondContact O-CD 3.35Å
146L89.2Confident83.6Confident9 Ų966.4 Ų66.45%0.04735%0.352CS..SBendtrans-123.973.1-174.7-58.4176.4000109.6L143 P144 N158 D237 F238 K241L143-L146 HydrophobicContact CD2-CD1 4.42Å; L143-L146 PolarHBondContact O-N 3.04Å; P144-L146 VanDerWaalsContact C-N 3.32Å; L146-N158 PolarHBondContact O-OD1 3.06Å; L146-D237 HydrophobicContact CD2-CB 4.26Å; L146-F238 HydrophobicContact CB-CD2 4.38Å; L146-F238 HydrophobicContact CD1-CD2 4Å; L146-K241 HydrophobicContact CD1-CB 4.34Å; L146-K241 HydrophobicContact CD1-CG 4.11Å; L146-K241 HydrophobicContact CD2-CB 3.9Å; L146-K241 HydrophobicContact CD2-CG 4.15Å
147P93.1Very high86.4Confident35 Ų3560.8 Ų60.823%0.22732%0.323CS..  trans-66.5136-178.128.9-34.7000110.9S145 E156S145-P147 WeakPolarHBondContact O-CD 3.35Å; P147-E156 HydrophobicContact CB-CG 3.68Å; P147-E156 VanDerWaalsContact CB-OE1 3.29Å; P147-E156 WeakPolarHBondContact CB-OE1 3.45Å
148L96.4Very high88.5Confident1 Ų159.2 Ų59.21%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-122.2163.5173.1-59.8173.1000109.2E156 V157 L159 V207 L231 D233 F238L148-E156 CarbonylContact O-C 3.37Å; L148-E156 VanDerWaalsContact O-CA 3.27Å; L148-E156 WeakPolarHBondContact O-CA 3.45Å; L148-V157 HydrophobicContact CB-CG2 4.42Å; L148-V157 PolarHBondContact N-O 3.21Å; L148-V157 PolarHBondContact O-N 3.34Å; L148-L159 HydrophobicContact CD1-CD1 4.09Å; L148-L159 HydrophobicContact CD1-CD2 4.38Å; L148-L159 HydrophobicContact CD1-CG 3.8Å; L148-V207 HydrophobicContact CD1-CG1 4.39Å; L148-V207 HydrophobicContact CD1-CG2 3.87Å; L148-V207 HydrophobicContact CD2-CG1 4.17Å; L148-L231 HydrophobicContact CB-CB 3.99Å; L148-L231 HydrophobicContact CD1-CB 3.75Å; L148-L231 HydrophobicContact CD1-CD1 3.76Å; L148-L231 HydrophobicContact CD1-CG 4.43Å; L148-L231 HydrophobicContact CG-CB 4.46Å; L148-D233 HydrophobicContact CD2-CB 3.67Å; L148-F238 HydrophobicContact CD2-CB 4Å; L148-F238 HydrophobicContact CD2-CG 4.38Å
149I96.4Very high90.3Very high30 Ų3057.4 Ų57.415%0.15429%0.287CS..EExtended strand (participates in β ladder)trans-109.1119.3175.4-59.5175.6000109W151 R155 L231 W232 K234I149-W151 PolarHBondContact O-N 2.74Å; I149-R155 WeakPolarHBondContact CA-O 3.08Å; I149-L231 CarbonylContact O-C 3.47Å; I149-W232 HydrophobicContact CB-CB 4.31Å; I149-W232 HydrophobicContact CB-CE3 4.4Å; I149-W232 HydrophobicContact CD1-CE3 4.18Å; I149-W232 HydrophobicContact CD1-CZ3 4.47Å; I149-W232 PolarHBondContact N-O 3.46Å; I149-W232 PolarHBondContact O-N 2.63Å; I149-K234 HydrophobicContact CD1-CB 3.83Å; I149-K234 HydrophobicContact CD1-CD 3.47Å; I149-K234 VanDerWaalsContact CD1-CD 3.47Å; I149-K234 HydrophobicContact CD1-CG 4.3Å
150D95Very high90.8Very high15 Ų1553.7 Ų53.78%0.0827%0.266CS..EExtended strand (participates in β ladder)trans-66122.5169.8177.8-65.7000109.2Q152 T153 N154 R155 V157 Y162 L231D150-Q152 VanDerWaalsContact C-N 3.31Å; D150-Q152 PolarHBondContact O-N 3.46Å; D150-Q152 WeakPolarHBondContact OD1-CA 3.47Å; D150-Q152 WeakPolarHBondContact OD1-CB 3.39Å; D150-Q152 PolarHBondContact OD1-N 3.04Å; D150-T153 WeakPolarHBondContact CB-OG1 3.46Å; D150-T153 PolarHBondContact OD1-N 2.7Å; D150-T153 PolarHBondContact OD1-OG1 3.16Å; D150-T153 VanDerWaalsContact OD1-OG1 3.12Å; D150-N154 WeakPolarHBondContact O-CA 3.44Å; D150-N154 PolarHBondContact O-N 3.25Å; D150-R155 PolarHBondContact N-O 2.7Å; D150-V157 HydrophobicContact CB-CG1 3.96Å; D150-V157 HydrophobicContact CB-CG2 4.01Å; D150-Y162 PolarHBondContact OD2-OH 2.99Å; D150-L231 HydrophobicContact CB-CD2 4.23Å
151W90.7Very high91Very high63 Ų6355.3 Ų55.324%0.23928%0.278CS..THydrogen-bonded Turntrans-68.5-28.1-171.586.2-81.9000113.8I149 C219 K220 N223 V230I149-W151 PolarHBondContact O-N 2.74Å; W151-C219 HydrophobicContact CB-CB 4.1Å; W151-C219 HydrophobicContact CD2-CB 3.58Å; W151-C219 HydrophobicContact CE3-CB 3.88Å; W151-C219 HydrophobicContact CG-CB 3.7Å; W151-K220 HydrophobicContact CH2-CG 4.2Å; W151-K220 HydrophobicContact CZ3-CG 3.9Å; W151-N223 HydrophobicContact CH2-CB 4.21Å; W151-N223 HydrophobicContact CZ2-CB 3.42Å; W151-N223 VanDerWaalsContact CZ2-CB 3.42Å; W151-N223 VanDerWaalsContact CZ2-CG 3.49Å; W151-V230 VanDerWaalsContact CD1-CB 3.46Å; W151-V230 HydrophobicContact CG-CB 4.27Å; W151-V230 PolarHBondContact N-O 3.06Å
152Q90.1Very high91.4Very high112 Ų11256.5 Ų56.552%0.52328%0.282SS..THydrogen-bonded Turntrans-79.6-46.2-176.9-64.7-176.3-9.700110.6D150 N223D150-Q152 VanDerWaalsContact C-N 3.31Å; D150-Q152 PolarHBondContact O-N 3.46Å; D150-Q152 WeakPolarHBondContact OD1-CA 3.47Å; D150-Q152 WeakPolarHBondContact OD1-CB 3.39Å; D150-Q152 PolarHBondContact OD1-N 3.04Å; Q152-N223 PolarHBondContact NE2-OD1 2.98Å
153T93Very high91.8Very high77 Ų7752 Ų5247%0.47226%0.263SS..THydrogen-bonded Turntrans-90.3-15.9-175.163.80000112.4D150 R155D150-T153 WeakPolarHBondContact CB-OG1 3.46Å; D150-T153 PolarHBondContact OD1-N 2.7Å; D150-T153 PolarHBondContact OD1-OG1 3.16Å; D150-T153 VanDerWaalsContact OD1-OG1 3.12Å; T153-R155 PolarHBondContact O-N 3.37Å; T153-R155 PolarHBondContact OG1-N 3.13Å
154N92.1Very high92.2Very high124 Ų12457.3 Ų57.366%0.66329%0.287SS*.  trans54.229.7-172.6-163.951.5000112.4D150D150-N154 WeakPolarHBondContact O-CA 3.44Å; D150-N154 PolarHBondContact O-N 3.25Å
155R95.3Very high92.7Very high183 Ų18361 Ų6169%0.69130%0.298SS*.  trans-100.8147.4177.6-66-175179.6-162.8-0.3110.2I149 D150 T153I149-R155 WeakPolarHBondContact CA-O 3.08Å; D150-R155 PolarHBondContact N-O 2.7Å; T153-R155 PolarHBondContact O-N 3.37Å; T153-R155 PolarHBondContact OG1-N 3.13Å
156E95.3Very high93.3Very high144 Ų14462 Ų6267%0.67329%0.291SS*.EExtended strand (participates in β ladder)trans-68.9131.1168-166176.3125.200109.6P147 L148P147-E156 HydrophobicContact CB-CG 3.68Å; P147-E156 VanDerWaalsContact CB-OE1 3.29Å; P147-E156 WeakPolarHBondContact CB-OE1 3.45Å; L148-E156 CarbonylContact O-C 3.37Å; L148-E156 VanDerWaalsContact O-CA 3.27Å; L148-E156 WeakPolarHBondContact O-CA 3.45Å
157V95.1Very high93.5Very high21 Ų2163.2 Ų63.213%0.12730%0.297CS..EExtended strand (participates in β ladder)trans-138.9157.3-178-62.40000109.8L148 D150 Y162 L231L148-V157 HydrophobicContact CB-CG2 4.42Å; L148-V157 PolarHBondContact N-O 3.21Å; L148-V157 PolarHBondContact O-N 3.34Å; D150-V157 HydrophobicContact CB-CG1 3.96Å; D150-V157 HydrophobicContact CB-CG2 4.01Å; V157-Y162 HydrophobicContact CB-CE2 4.47Å; V157-Y162 HydrophobicContact CG2-CE2 4.33Å; V157-L231 HydrophobicContact CG2-CD1 4.48Å; V157-L231 HydrophobicContact CG2-CD2 3.73Å
158N93Very high93.6Very high32 Ų3261.5 Ų61.517%0.17129%0.287CS..  trans-114.8145172.9-75.4-78.7000110.3L143 P144 L146 Q160 D161L143-N158 PolarHBondContact O-OD1 2.86Å; L143-N158 VanDerWaalsContact O-OD1 3.09Å; P144-N158 WeakPolarHBondContact CA-OD1 3.4Å; L146-N158 PolarHBondContact O-OD1 3.06Å; N158-Q160 HydrophobicContact CB-CB 4.19Å; N158-Q160 PolarHBondContact O-N 3.43Å; N158-Q160 VanDerWaalsContact O-N 3.09Å; N158-D161 PolarHBondContact O-N 3.19Å; N158-D161 VanDerWaalsContact O-N 3.14Å
159L93.8Very high93.7Very high2 Ų261.5 Ų61.51%0.0129%0.286CS..Hα-helixtrans-58-24.3172.5-78.1170.8000112.2L143 L148 D161 Y162 V163 L169 V171 A205 V207 L231 F238 L292L143-L159 HydrophobicContact CD1-CB 3.75Å; L143-L159 HydrophobicContact CD2-CB 4.26Å; L143-L159 HydrophobicContact CD2-CD1 4.44Å; L143-L159 HydrophobicContact CG-CB 4.43Å; L148-L159 HydrophobicContact CD1-CD1 4.09Å; L148-L159 HydrophobicContact CD1-CD2 4.38Å; L148-L159 HydrophobicContact CD1-CG 3.8Å; L159-D161 PolarHBondContact O-N 3.1Å; L159-Y162 WeakPolarHBondContact O-CB 3.33Å; L159-Y162 PolarHBondContact O-N 2.68Å; L159-Y162 VanDerWaalsContact O-N 3.08Å; L159-V163 WeakPolarHBondContact O-CG2 3.42Å; L159-V163 PolarHBondContact O-N 3.32Å; L159-L169 HydrophobicContact CD2-CD2 3.98Å; L159-V171 HydrophobicContact CD2-CG2 4.2Å; L159-A205 HydrophobicContact CD2-CB 4.35Å; L159-V207 HydrophobicContact CD1-CG2 4.29Å; L159-V207 HydrophobicContact CD2-CG2 4.39Å; L159-L231 HydrophobicContact CD2-CD1 3.56Å; L159-L231 HydrophobicContact CG-CD1 4.24Å; L159-F238 HydrophobicContact CD1-CD2 4.16Å; L159-F238 HydrophobicContact CD1-CE2 3.47Å; L159-F238 VanDerWaalsContact CD1-CE2 3.47Å; L159-F238 HydrophobicContact CD1-CZ 4.07Å; L159-L292 HydrophobicContact CD1-CD1 4.35Å
160Q91.8Very high93.7Very high20 Ų2060 Ų609%0.09328%0.279CS..Hα-helixtrans-50.9-42.9174.4-172.463.736.800113L143 P144 N158 Y162 V163 Q164L143-Q160 HydrophobicContact CB-CB 4.14Å; P144-Q160 HydrophobicContact CG-CG 4.49Å; N158-Q160 HydrophobicContact CB-CB 4.19Å; N158-Q160 PolarHBondContact O-N 3.43Å; N158-Q160 VanDerWaalsContact O-N 3.09Å; Q160-Y162 PolarHBondContact O-N 2.67Å; Q160-V163 PolarHBondContact O-N 3.41Å; Q160-Q164 WeakPolarHBondContact O-CG 3.44Å; Q160-Q164 PolarHBondContact O-N 2.79Å
161D91.2Very high93.8Very high73 Ų7359.3 Ų59.339%0.3928%0.275SS..Hα-helixtrans-69.5-24-175.9-57.8-34.7000112N158 L159 K165N158-D161 PolarHBondContact O-N 3.19Å; N158-D161 VanDerWaalsContact O-N 3.14Å; L159-D161 PolarHBondContact O-N 3.1Å; D161-K165 WeakPolarHBondContact O-CD 3.17Å; D161-K165 VanDerWaalsContact O-CE 3.31Å; D161-K165 WeakPolarHBondContact O-CE 3.37Å; D161-K165 WeakPolarHBondContact O-CG 3.42Å
162Y93.6Very high94.1Very high28 Ų2856.5 Ų56.511%0.1127%0.265CS..Hα-helixtrans-83.8-46.7175.2-65.2-86.9000110.5D150 V157 L159 Q160 Q164 K165 Y166 P229 L231D150-Y162 PolarHBondContact OD2-OH 2.99Å; V157-Y162 HydrophobicContact CB-CE2 4.47Å; V157-Y162 HydrophobicContact CG2-CE2 4.33Å; L159-Y162 WeakPolarHBondContact O-CB 3.33Å; L159-Y162 PolarHBondContact O-N 2.68Å; L159-Y162 VanDerWaalsContact O-N 3.08Å; Q160-Y162 PolarHBondContact O-N 2.67Å; Y162-Q164 PolarHBondContact O-N 2.84Å; Y162-K165 PolarHBondContact O-N 3.31Å; Y162-Y166 WeakPolarHBondContact O-CD2 2.93Å; Y162-P229 HydrophobicContact CD1-CG 4.04Å; Y162-P229 HydrophobicContact CE1-CB 3.74Å; Y162-P229 HydrophobicContact CE1-CG 3.45Å; Y162-P229 VanDerWaalsContact CE1-CG 3.45Å; Y162-L231 HydrophobicContact CD2-CD1 4.37Å; Y162-L231 HydrophobicContact CE2-CD1 4Å; Y162-L231 HydrophobicContact CE2-CD2 4.24Å
163V93.7Very high94.4Very high0 Ų051.3 Ų51.30%024%0.241CC..Hα-helixtrans-57.7-32.6177.2176.50000111.5L143 L159 Q160 K165 L169 L292 Q294 V360L143-V163 HydrophobicContact CD1-CG2 4.09Å; L159-V163 WeakPolarHBondContact O-CG2 3.42Å; L159-V163 PolarHBondContact O-N 3.32Å; Q160-V163 PolarHBondContact O-N 3.41Å; V163-K165 VanDerWaalsContact C-N 3.27Å; V163-K165 PolarHBondContact O-N 3.02Å; V163-L169 HydrophobicContact CG2-CB 3.95Å; V163-L169 HydrophobicContact CG2-CD2 3.68Å; V163-L169 HydrophobicContact CG2-CG 4.48Å; V163-L292 HydrophobicContact CG2-CB 3.85Å; V163-L292 HydrophobicContact CG2-CD1 4.13Å; V163-Q294 HydrophobicContact CG1-CG 3.86Å; V163-V360 HydrophobicContact CB-CG2 4.42Å; V163-V360 HydrophobicContact CG1-CG1 3.94Å; V163-V360 HydrophobicContact CG1-CG2 3.99Å; V163-V360 HydrophobicContact CG2-CG1 4.18Å
164Q92.1Very high94.6Very high111 Ų11147.9 Ų47.952%0.51922%0.219SC..THydrogen-bonded Turntrans-67.7-19.4176.8-77.3173.8-2.800115.5Q160 Y162Q160-Q164 WeakPolarHBondContact O-CG 3.44Å; Q160-Q164 PolarHBondContact O-N 2.79Å; Y162-Q164 PolarHBondContact O-N 2.84Å
165K93.9Very high94.8Very high135 Ų13542 Ų4259%0.58719%0.188SC*.THydrogen-bonded Turntrans-91.7-19.6-177.4-65171.4-174.8171.30113D161 Y162 V163 N201D161-K165 WeakPolarHBondContact O-CD 3.17Å; D161-K165 VanDerWaalsContact O-CE 3.31Å; D161-K165 WeakPolarHBondContact O-CE 3.37Å; D161-K165 WeakPolarHBondContact O-CG 3.42Å; Y162-K165 PolarHBondContact O-N 3.31Å; V163-K165 VanDerWaalsContact C-N 3.27Å; V163-K165 PolarHBondContact O-N 3.02Å; K165-N201 PolarHBondContact O-ND2 3.4Å
166Y95.4Very high94.8Very high86 Ų8633.5 Ų33.534%0.33716%0.157SC..SBendtrans-123.1157.7-170.3-60.4-68.3000110.4Y162 C168 L169 N201 G203Y162-Y166 WeakPolarHBondContact O-CD2 2.93Å; Y166-C168 VanDerWaalsContact C-N 3.32Å; Y166-C168 VanDerWaalsContact CB-O 3.31Å; Y166-C168 WeakPolarHBondContact CB-O 3.43Å; Y166-L169 HydrophobicContact CD2-CD1 4.26Å; Y166-N201 WeakPolarHBondContact CB-O 3.49Å; Y166-G203 VanDerWaalsContact CG-CA 3.49Å
167M93.5Very high94.6Very high35 Ų3526.7 Ų26.717%0.17213%0.125CC..SBendtrans-64.7-43.6172-173.264.370.500110.5F200 N201 C387 Y388 T391M167-F200 WeakPolarHBondContact CB-O 3.43Å; M167-N201 HydrophobicContact CB-CB 4.25Å; M167-N201 PolarHBondContact N-O 2.79Å; M167-C387 HydrophobicContact CG-CB 4.19Å; M167-Y388 HydrophobicContact CE-CD2 4.45Å; M167-T391 HydrophobicContact CE-CG2 3.61Å; M167-T391 WeakPolarHBondContact SD-CB 3.4Å; M167-T391 HydrophobicContact SD-CG2 3.65Å; M167-T391 PolarHBondContact SD-OG1 2.85Å
168C95.1Very high94.6Very high0 Ų025.9 Ų25.90%012%0.12CC..EExtended strand (participates in β ladder)trans-144.4158.1169.764.90000110Y166 G203 V291 L292 A293 C387Y166-C168 VanDerWaalsContact C-N 3.32Å; Y166-C168 VanDerWaalsContact CB-O 3.31Å; Y166-C168 WeakPolarHBondContact CB-O 3.43Å; C168-G203 PolarHBondContact O-N 3.32Å; C168-V291 HydrophobicContact CB-CG1 4.03Å; C168-L292 CarbonylContact C-O 3.55Å; C168-L292 WeakPolarHBondContact CA-O 3.34Å; C168-L292 VanDerWaalsContact CB-O 3.31Å; C168-L292 WeakPolarHBondContact CB-O 3.33Å; C168-A293 HydrophobicContact CB-CB 4.08Å; C168-C387 HydrophobicContact CB-CB 4.39Å
169L97.3Very high94.7Very high0 Ų024.9 Ų24.90%012%0.115CC..EExtended strand (participates in β ladder)trans-122.8118-179.7-179.572.4000108.5L159 V163 Y166 V171 G203 A205 L292L159-L169 HydrophobicContact CD2-CD2 3.98Å; V163-L169 HydrophobicContact CG2-CB 3.95Å; V163-L169 HydrophobicContact CG2-CD2 3.68Å; V163-L169 HydrophobicContact CG2-CG 4.48Å; Y166-L169 HydrophobicContact CD2-CD1 4.26Å; L169-V171 HydrophobicContact CD2-CG2 3.92Å; L169-V171 HydrophobicContact CG-CG2 3.98Å; L169-G203 WeakPolarHBondContact CA-O 3.41Å; L169-A205 HydrophobicContact CD1-CB 4.24Å; L169-L292 HydrophobicContact CB-CB 4.37Å; L169-L292 PolarHBondContact N-O 3.1Å; L169-L292 PolarHBondContact O-N 3.43Å
170V97.1Very high94.7Very high0 Ų024.8 Ų24.80%012%0.115CC..EExtended strand (participates in β ladder)trans-85.4122.1171.2-177.10000108.3I172 V202 G203 Y204 A205 V291 I380V170-I172 HydrophobicContact CG1-CD1 4.3Å; V170-V202 HydrophobicContact CG2-CG1 3.7Å; V170-G203 PolarHBondContact N-O 2.87Å; V170-Y204 HydrophobicContact CB-CD1 3.75Å; V170-Y204 HydrophobicContact CB-CE1 3.97Å; V170-Y204 HydrophobicContact CG1-CD1 4.32Å; V170-Y204 HydrophobicContact CG2-CD1 4.22Å; V170-Y204 HydrophobicContact CG2-CE1 3.93Å; V170-Y204 CarbonylContact O-C 3.54Å; V170-Y204 WeakPolarHBondContact O-CA 3.04Å; V170-A205 PolarHBondContact O-N 3.11Å; V170-V291 HydrophobicContact CG2-CG2 4.33Å; V170-I380 HydrophobicContact CG1-CD1 4.19Å; V170-I380 HydrophobicContact CG1-CG2 4.36Å; V170-I380 HydrophobicContact CG2-CG2 3.62Å
171V97Very high94.7Very high0 Ų024 Ų240%011%0.111CC..EExtended strand (participates in β ladder)trans-112.4120.6178.9-171.50000109.4L159 L169 A205 V207 E289 L290 L292L159-V171 HydrophobicContact CD2-CG2 4.2Å; L169-V171 HydrophobicContact CD2-CG2 3.92Å; L169-V171 HydrophobicContact CG-CG2 3.98Å; V171-A205 WeakPolarHBondContact CA-O 3.48Å; V171-V207 HydrophobicContact CG1-CB 4.2Å; V171-V207 HydrophobicContact CG1-CG2 3.5Å; V171-V207 VanDerWaalsContact CG1-CG2 3.5Å; V171-E289 WeakPolarHBondContact O-CA 3.38Å; V171-L290 HydrophobicContact CB-CD2 3.74Å; V171-L290 HydrophobicContact CB-CG 3.83Å; V171-L290 HydrophobicContact CG1-CD2 4.07Å; V171-L290 HydrophobicContact CG2-CG 4.32Å; V171-L290 PolarHBondContact N-O 3.48Å; V171-L290 PolarHBondContact O-N 3.17Å; V171-L292 HydrophobicContact CG2-CD1 3.93Å; V171-L292 HydrophobicContact CG2-CG 4.45Å
172I97.1Very high94.8Very high3 Ų320.7 Ų20.72%0.0159%0.094CC..EExtended strand (participates in β ladder)trans-97118.5173.8-55.285.9000107.8V170 V183 R186 A205 V206 V207 W228 E289V170-I172 HydrophobicContact CG1-CD1 4.3Å; I172-V183 HydrophobicContact CG2-CG2 3.92Å; I172-R186 HydrophobicContact CD1-CG 4.19Å; I172-R186 HydrophobicContact CG1-CB 4.41Å; I172-R186 HydrophobicContact CG1-CG 3.95Å; I172-A205 PolarHBondContact N-O 3.18Å; I172-V206 CarbonylContact O-C 3.43Å; I172-V206 VanDerWaalsContact O-CA 3.3Å; I172-V206 WeakPolarHBondContact O-CA 3.32Å; I172-V207 PolarHBondContact O-N 3.3Å; I172-W228 HydrophobicContact CD1-CE3 4.03Å; I172-W228 HydrophobicContact CD1-CH2 4.44Å; I172-W228 HydrophobicContact CD1-CZ3 3.6Å; I172-E289 HydrophobicContact CG2-CG 4.37Å
173C97.1Very high94.8Very high4 Ų419.4 Ų19.43%0.0279%0.089CC..EExtended strand (participates in β ladder)trans-103.9108.7-179.5-58.50000109.5V207 W209 F244 G287 G288 L290C173-V207 VanDerWaalsContact CA-O 3.3Å; C173-V207 WeakPolarHBondContact CA-O 3.47Å; C173-W209 HydrophobicContact CB-CH2 4.29Å; C173-W209 HydrophobicContact CB-CZ3 4.01Å; C173-F244 HydrophobicContact CB-CE1 4.11Å; C173-F244 HydrophobicContact CB-CE2 3.84Å; C173-F244 HydrophobicContact CB-CZ 3.39Å; C173-G287 WeakPolarHBondContact O-CA 3.42Å; C173-G288 WeakPolarHBondContact CA-O 3.48Å; C173-G288 VanDerWaalsContact CB-O 3.28Å; C173-G288 WeakPolarHBondContact CB-O 3.4Å; C173-G288 PolarHBondContact N-O 3.34Å; C173-G288 PolarHBondContact O-N 3.48Å; C173-L290 WeakPolarHBondContact SG-CD2 3.14Å
174Q95.8Very high94.8Very high4 Ų421.1 Ų21.12%0.01910%0.095CC..  trans-138.4134.3-176.9-167.3-171.8-37.600111.8P179 V183 V207 T208 W218Q174-P179 PolarHBondContact NE2-O 3.16Å; Q174-V183 HydrophobicContact CB-CG2 4.45Å; Q174-V207 PolarHBondContact N-O 2.61Å; Q174-T208 VanDerWaalsContact O-CA 3.27Å; Q174-T208 WeakPolarHBondContact O-CA 3.12Å; Q174-T208 VanDerWaalsContact O-CB 3.26Å; Q174-T208 WeakPolarHBondContact O-CB 3.44Å; Q174-T208 PolarHBondContact O-OG1 3.44Å; Q174-W218 HydrophobicContact CB-CH2 4.46Å; Q174-W218 HydrophobicContact CB-CZ2 4.41Å; Q174-W218 HydrophobicContact CG-CZ2 4.36Å
175P95.8Very high94.8Very high0 Ų018.6 Ų18.60%08%0.081CC..  trans-66.1140.1174.227.7-35.8000112.8Y177 W178 W209 I286P175-Y177 VanDerWaalsContact C-N 3.27Å; P175-Y177 HydrophobicContact CB-CD1 3.79Å; P175-Y177 HydrophobicContact CB-CD2 4.01Å; P175-Y177 HydrophobicContact CB-CE1 3.3Å; P175-Y177 HydrophobicContact CB-CE2 3.57Å; P175-Y177 HydrophobicContact CB-CG 4.12Å; P175-Y177 HydrophobicContact CG-CD2 4.46Å; P175-Y177 HydrophobicContact CG-CE1 4.47Å; P175-Y177 HydrophobicContact CG-CE2 3.92Å; P175-Y177 PolarHBondContact O-N 3.32Å; P175-W178 HydrophobicContact CG-CB 4.09Å; P175-W178 PolarHBondContact O-N 3.42Å; P175-W209 HydrophobicContact CB-CZ2 3.96Å; P175-W209 HydrophobicContact CG-CZ2 4.21Å; P175-I286 WeakPolarHBondContact CD-O 3.46Å
176A95.2Very high94.8Very high5 Ų512.2 Ų12.24%0.0415%0.053CC..THydrogen-bonded Turntrans-75.2-13.6-179.900000114.1W178 T208 W209 V215 W218A176-W178 VanDerWaalsContact C-N 3.26Å; A176-T208 WeakPolarHBondContact CB-OG1 3.44Å; A176-T208 PolarHBondContact N-OG1 3.05Å; A176-T208 VanDerWaalsContact N-OG1 3.15Å; A176-W209 PolarHBondContact N-O 3.09Å; A176-V215 HydrophobicContact CB-CB 4.17Å; A176-V215 HydrophobicContact CB-CG2 3.62Å; A176-W218 HydrophobicContact CB-CB 3.85Å; A176-W218 HydrophobicContact CB-CD2 4.12Å; A176-W218 HydrophobicContact CB-CE3 4.38Å; A176-W218 HydrophobicContact CB-CG 3.89Å
177Y92.7Very high94.8Very high2 Ų212.1 Ų12.11%0.0085%0.053CC..THydrogen-bonded Turntrans-84.40.8175.550.8-98000113.4P175 L278 W280 W283 Q285P175-Y177 VanDerWaalsContact C-N 3.27Å; P175-Y177 HydrophobicContact CB-CD1 3.79Å; P175-Y177 HydrophobicContact CB-CD2 4.01Å; P175-Y177 HydrophobicContact CB-CE1 3.3Å; P175-Y177 HydrophobicContact CB-CE2 3.57Å; P175-Y177 HydrophobicContact CB-CG 4.12Å; P175-Y177 HydrophobicContact CG-CD2 4.46Å; P175-Y177 HydrophobicContact CG-CE1 4.47Å; P175-Y177 HydrophobicContact CG-CE2 3.92Å; P175-Y177 PolarHBondContact O-N 3.32Å; Y177-L278 HydrophobicContact CD2-CD2 4.04Å; Y177-L278 HydrophobicContact CG-CD2 3.8Å; Y177-W280 HydrophobicContact CD2-CH2 4.24Å; Y177-W280 AromaticContact CD2-CZ3 3.89Å; Y177-W280 HydrophobicContact CD2-CZ3 3.89Å; Y177-W280 HydrophobicContact CE2-CZ3 4.23Å; Y177-W283 HydrophobicContact CD1-CB 4.09Å; Y177-W283 HydrophobicContact CD1-CD2 4.33Å; Y177-W283 HydrophobicContact CD1-CE3 4.03Å; Y177-W283 HydrophobicContact CD1-CG 4.39Å; Y177-W283 HydrophobicContact CD2-CB 4.46Å; Y177-W283 HydrophobicContact CE1-CB 3.87Å; Y177-W283 HydrophobicContact CE1-CD2 4.15Å; Y177-W283 AromaticContact CE1-CE3 3.53Å; Y177-W283 HydrophobicContact CE1-CE3 3.53Å; Y177-W283 HydrophobicContact CE1-CG 4.32Å; Y177-W283 HydrophobicContact CE1-CZ3 4.42Å; Y177-W283 HydrophobicContact CE2-CB 4.25Å; Y177-W283 WeakPolarHBondContact CE2-O 3.4Å; Y177-W283 HydrophobicContact CG-CB 4.36Å; Y177-Q285 PolarHBondContact OH-N 2.93Å; Y177-Q285 PolarHBondContact OH-O 2.93Å; Y177-Q285 VanDerWaalsContact OH-O 3.08Å
178W94.3Very high94.8Very high4 Ų412.6 Ų12.62%0.0156%0.06CC..SBendtrans-117.4150176.4-162.1-99.2000111F55 P175 A176 D180 W218 V251 W252 N256 L257 L260 P274 W280 I371F55-W178 HydrophobicContact CD2-CH2 4.41Å; P175-W178 HydrophobicContact CG-CB 4.09Å; P175-W178 PolarHBondContact O-N 3.42Å; A176-W178 VanDerWaalsContact C-N 3.26Å; W178-D180 PolarHBondContact O-N 3.21Å; W178-W218 PolarHBondContact O-NE1 2.86Å; W178-V251 HydrophobicContact CE3-CG1 3.81Å; W178-V251 HydrophobicContact CH2-CG1 4.41Å; W178-V251 WeakPolarHBondContact CH2-O 3.46Å; W178-V251 HydrophobicContact CZ3-CG1 3.71Å; W178-W252 HydrophobicContact CH2-CD2 4.46Å; W178-W252 HydrophobicContact CH2-CE3 4.07Å; W178-W252 HydrophobicContact CH2-CH2 4.48Å; W178-W252 HydrophobicContact CH2-CZ3 4.06Å; W178-W252 HydrophobicContact CZ3-CD2 4.34Å; W178-W252 HydrophobicContact CZ3-CE3 4.26Å; W178-W252 HydrophobicContact CZ3-CH2 4.07Å; W178-W252 HydrophobicContact CZ3-CZ2 4.18Å; W178-W252 HydrophobicContact CZ3-CZ3 4.1Å; W178-N256 HydrophobicContact CZ2-CB 4.03Å; W178-L257 HydrophobicContact CH2-CD2 4.34Å; W178-L260 HydrophobicContact CZ2-CD1 3.76Å; W178-P274 HydrophobicContact CE3-CG 4.02Å; W178-P274 HydrophobicContact CZ3-CG 4Å; W178-W280 HydrophobicContact CE3-CH2 4.11Å; W178-W280 HydrophobicContact CE3-CZ3 4.29Å; W178-W280 HydrophobicContact CZ3-CH2 4.2Å; W178-W280 HydrophobicContact CZ3-CZ3 4.38Å; W178-I371 HydrophobicContact CB-CD1 4.03Å; W178-I371 VanDerWaalsContact CD1-CD1 3.4Å; W178-I371 HydrophobicContact CD2-CD1 3.53Å; W178-I371 HydrophobicContact CE3-CD1 4.29Å; W178-I371 HydrophobicContact CG-CD1 3.36Å; W178-I371 HydrophobicContact CZ2-CD1 4.5Å
179P94.5Very high94.7Very high10 Ų1014.4 Ų14.47%0.0657%0.068CC..  trans-52.1134.5178.3-26.830.4000113.7F55 Q174 T181 L260 I271 N272F55-P179 HydrophobicContact CE2-CG 4.06Å; F55-P179 HydrophobicContact CZ-CG 4Å; Q174-P179 PolarHBondContact NE2-O 3.16Å; P179-T181 PolarHBondContact O-N 3.46Å; P179-L260 HydrophobicContact CB-CD2 3.91Å; P179-L260 HydrophobicContact CG-CD1 4.04Å; P179-L260 HydrophobicContact CG-CD2 4.19Å; P179-I271 HydrophobicContact CB-CG2 3.65Å; P179-I271 HydrophobicContact CG-CG2 3.59Å; P179-N272 WeakPolarHBondContact CG-O 3.49Å
180D93.5Very high94.5Very high1 Ų114.7 Ų14.71%0.0057%0.07CC..THydrogen-bonded Turntrans-61.411.8179.866.7-20.1000116.1W178 A182 V183 R184 W218 Q221 V222 I225W178-D180 PolarHBondContact O-N 3.21Å; D180-A182 VanDerWaalsContact C-N 3.33Å; D180-A182 PolarHBondContact O-N 3.21Å; D180-V183 PolarHBondContact O-N 3.04Å; D180-R184 WeakPolarHBondContact O-CG 3.22Å; D180-R184 PolarHBondContact O-N 3.31Å; D180-R184 IonicContact OD1-CZ 2.7Å; D180-R184 IonicContact OD1-NE 3.72Å; D180-R184 PolarHBondContact OD1-NE 2.98Å; D180-R184 IonicContact OD1-NH1 3.88Å; D180-R184 IonicContact OD1-NH2 2.67Å; D180-R184 PolarHBondContact OD1-NH2 3.07Å; D180-R184 IonicContact OD2-NE 2.74Å; D180-W218 HydrophobicContact CB-CZ2 3.94Å; D180-Q221 PolarHBondContact OD1-NE2 3.01Å; D180-Q221 WeakPolarHBondContact OD2-CG 3.41Å; D180-Q221 PolarHBondContact OD2-NE2 3.41Å; D180-V222 HydrophobicContact CB-CG2 3.76Å; D180-I225 WeakPolarHBondContact OD2-CD1 3.18Å
181T92.5Very high94.3Very high2 Ų217.5 Ų17.51%0.0129%0.09CC..Hα-helixtrans-62.9-34.2-170.6-52.40000113P179 R184 W185 F259 L260 Q263P179-T181 PolarHBondContact O-N 3.46Å; T181-R184 PolarHBondContact O-N 3.27Å; T181-R184 PolarHBondContact OG1-NH2 2.88Å; T181-R184 VanDerWaalsContact OG1-NH2 3.11Å; T181-W185 VanDerWaalsContact O-CB 3.3Å; T181-W185 WeakPolarHBondContact O-CB 3.32Å; T181-W185 PolarHBondContact O-N 3.07Å; T181-F259 HydrophobicContact CG2-CD1 4.49Å; T181-F259 HydrophobicContact CG2-CE1 3.75Å; T181-F259 HydrophobicContact CG2-CZ 4.1Å; T181-L260 HydrophobicContact CG2-CD2 4.07Å; T181-L260 VanDerWaalsContact OG1-CD2 3.29Å; T181-L260 WeakPolarHBondContact OG1-CD2 3.48Å; T181-Q263 HydrophobicContact CG2-CB 3.46Å; T181-Q263 VanDerWaalsContact CG2-CB 3.46Å; T181-Q263 HydrophobicContact CG2-CG 3.45Å; T181-Q263 VanDerWaalsContact CG2-CG 3.45Å
182A92.7Very high94.1Very high4 Ų424.9 Ų24.93%0.03312%0.121CC..Hα-helixtrans-66.9-43.8175.800000112.1D180 R184 W185 R186 L374D180-A182 VanDerWaalsContact C-N 3.33Å; D180-A182 PolarHBondContact O-N 3.21Å; A182-R184 PolarHBondContact O-N 3.3Å; A182-W185 PolarHBondContact O-N 3.39Å; A182-R186 WeakPolarHBondContact O-CB 3.41Å; A182-R186 PolarHBondContact O-N 2.96Å; A182-L374 HydrophobicContact CB-CD1 4.17Å; A182-L374 HydrophobicContact CB-CD2 3.74Å
183V94.7Very high93.9Very high1 Ų126 Ų261%0.00613%0.132CC..Hα-helixtrans-60.1-44.6172.1174.90000111.3I172 Q174 D180 W185 R186 Y187 V206 W218 V222 T226I172-V183 HydrophobicContact CG2-CG2 3.92Å; Q174-V183 HydrophobicContact CB-CG2 4.45Å; D180-V183 PolarHBondContact O-N 3.04Å; V183-W185 PolarHBondContact O-N 2.91Å; V183-R186 PolarHBondContact O-N 3.35Å; V183-Y187 WeakPolarHBondContact O-CB 3.4Å; V183-Y187 PolarHBondContact O-N 3.39Å; V183-V206 HydrophobicContact CG1-CG2 3.97Å; V183-V206 HydrophobicContact CG2-CG1 3.93Å; V183-V206 HydrophobicContact CG2-CG2 4.12Å; V183-W218 HydrophobicContact CG2-CH2 4.01Å; V183-W218 HydrophobicContact CG2-CZ2 4.36Å; V183-V222 HydrophobicContact CG1-CG1 3.9Å; V183-T226 HydrophobicContact CG1-CG2 4.13Å
184R93Very high93.6Very high36 Ų3630 Ų3014%0.13615%0.15CC..Hα-helixtrans-60.6-44.7177.5-70.9-167.7-79.9-172.75.7112.3D180 T181 A182 Y187 S188 I225D180-R184 WeakPolarHBondContact O-CG 3.22Å; D180-R184 PolarHBondContact O-N 3.31Å; D180-R184 IonicContact OD1-CZ 2.7Å; D180-R184 IonicContact OD1-NE 3.72Å; D180-R184 PolarHBondContact OD1-NE 2.98Å; D180-R184 IonicContact OD1-NH1 3.88Å; D180-R184 IonicContact OD1-NH2 2.67Å; D180-R184 PolarHBondContact OD1-NH2 3.07Å; D180-R184 IonicContact OD2-NE 2.74Å; T181-R184 PolarHBondContact O-N 3.27Å; T181-R184 PolarHBondContact OG1-NH2 2.88Å; T181-R184 VanDerWaalsContact OG1-NH2 3.11Å; A182-R184 PolarHBondContact O-N 3.3Å; R184-Y187 PolarHBondContact O-N 3.24Å; R184-S188 PolarHBondContact O-N 3.15Å; R184-S188 VanDerWaalsContact O-N 3.1Å; R184-I225 HydrophobicContact CG-CD1 3.7Å; R184-I225 HydrophobicContact CG-CG1 4.41Å; R184-I225 HydrophobicContact CG-CG2 4.1Å
185W92.7Very high93.4Very high58 Ų5834.2 Ų34.222%0.2218%0.179CC..Hα-helixtrans-62.7-48.8178.4-175.688.8000110.8T181 A182 V183 Y187 S188 E189 F259 L374T181-W185 VanDerWaalsContact O-CB 3.3Å; T181-W185 WeakPolarHBondContact O-CB 3.32Å; T181-W185 PolarHBondContact O-N 3.07Å; A182-W185 PolarHBondContact O-N 3.39Å; V183-W185 PolarHBondContact O-N 2.91Å; W185-Y187 VanDerWaalsContact C-N 3.28Å; W185-Y187 PolarHBondContact O-N 3.36Å; W185-S188 WeakPolarHBondContact O-CB 3.35Å; W185-S188 PolarHBondContact O-N 3.26Å; W185-S188 VanDerWaalsContact O-N 3.07Å; W185-E189 HydrophobicContact CD2-CG 3.89Å; W185-E189 HydrophobicContact CE3-CG 3.82Å; W185-E189 HydrophobicContact CH2-CG 3.58Å; W185-E189 HydrophobicContact CZ2-CG 3.61Å; W185-E189 HydrophobicContact CZ3-CG 3.69Å; W185-E189 PolarHBondContact O-N 3.04Å; W185-F259 HydrophobicContact CB-CZ 4.2Å; W185-F259 HydrophobicContact CG-CE2 4.46Å; W185-F259 HydrophobicContact CG-CZ 4.36Å; W185-L374 HydrophobicContact CD2-CD1 3.95Å; W185-L374 HydrophobicContact CE3-CD1 3.39Å; W185-L374 HydrophobicContact CG-CD1 4.44Å; W185-L374 HydrophobicContact CZ3-CB 4.24Å; W185-L374 HydrophobicContact CZ3-CD1 3.86Å
186R94.1Very high93.2Very high1 Ų134.7 Ų34.70%0.00418%0.181CC..Hα-helixtrans-59.2-40.5177.5-176.659.264.3-160.91.8112.2I172 A182 V183 S188 E189 V190 W228 E289 M375 S377 I380I172-R186 HydrophobicContact CD1-CG 4.19Å; I172-R186 HydrophobicContact CG1-CB 4.41Å; I172-R186 HydrophobicContact CG1-CG 3.95Å; A182-R186 WeakPolarHBondContact O-CB 3.41Å; A182-R186 PolarHBondContact O-N 2.96Å; V183-R186 PolarHBondContact O-N 3.35Å; R186-S188 VanDerWaalsContact C-N 3.33Å; R186-S188 PolarHBondContact O-N 2.81Å; R186-E189 PolarHBondContact O-N 3.44Å; R186-V190 HydrophobicContact CG-CG2 4.37Å; R186-V190 WeakPolarHBondContact O-CB 3.32Å; R186-V190 WeakPolarHBondContact O-CG2 3.43Å; R186-V190 PolarHBondContact O-N 3Å; R186-W228 HydrophobicContact CG-CH2 4.24Å; R186-W228 HydrophobicContact CG-CZ3 4.37Å; R186-E289 IonicContact CZ-OE1 2.99Å; R186-E289 VanDerWaalsContact CZ-OE1 3.23Å; R186-E289 IonicContact CZ-OE2 2.7Å; R186-E289 IonicContact NE-OE1 3Å; R186-E289 PolarHBondContact NE-OE1 3.08Å; R186-E289 IonicContact NH2-OE1 3.67Å; R186-E289 PolarHBondContact NH2-OE1 2.86Å; R186-E289 IonicContact NH2-OE2 2.83Å; R186-E289 PolarHBondContact NH2-OE2 2.91Å; R186-M375 PolarHBondContact NH1-O 3.32Å; R186-M375 PolarHBondContact NH2-O 2.93Å; R186-S377 PolarHBondContact NH1-OG 2.74Å; R186-I380 VanDerWaalsContact CZ-CD1 3.41Å
187Y94.9Very high93.2Very high85 Ų8534.8 Ų34.833%0.33318%0.181SC..Hα-helixtrans-60.7-41.9175.9-177.9-103.1000112.5V183 R184 W185 S191 I225 T226 W228V183-Y187 WeakPolarHBondContact O-CB 3.4Å; V183-Y187 PolarHBondContact O-N 3.39Å; R184-Y187 PolarHBondContact O-N 3.24Å; W185-Y187 VanDerWaalsContact C-N 3.28Å; W185-Y187 PolarHBondContact O-N 3.36Å; Y187-S191 WeakPolarHBondContact O-CB 3.39Å; Y187-S191 PolarHBondContact O-N 2.65Å; Y187-S191 PolarHBondContact O-OG 3.17Å; Y187-I225 HydrophobicContact CD1-CG2 4.31Å; Y187-T226 HydrophobicContact CD1-CG2 4.21Å; Y187-T226 HydrophobicContact CD2-CG2 3.47Å; Y187-T226 VanDerWaalsContact CD2-CG2 3.47Å; Y187-T226 HydrophobicContact CE2-CG2 4.15Å; Y187-T226 HydrophobicContact CG-CG2 3.52Å; Y187-W228 HydrophobicContact CD2-CD2 4.39Å; Y187-W228 AromaticContact CD2-CE2 3.78Å; Y187-W228 AromaticContact CD2-CH2 4Å; Y187-W228 HydrophobicContact CD2-CH2 4Å; Y187-W228 AromaticContact CD2-CZ2 3.59Å; Y187-W228 HydrophobicContact CD2-CZ2 3.59Å; Y187-W228 HydrophobicContact CE2-CZ2 4.35Å
188S92.7Very high93.2Very high45 Ų4538.1 Ų38.132%0.31520%0.204SC..Hα-helixtrans-62.6-44.1174.5-172.60000111.9R184 W185 R186 S191 K192R184-S188 PolarHBondContact O-N 3.15Å; R184-S188 VanDerWaalsContact O-N 3.1Å; W185-S188 WeakPolarHBondContact O-CB 3.35Å; W185-S188 PolarHBondContact O-N 3.26Å; W185-S188 VanDerWaalsContact O-N 3.07Å; R186-S188 VanDerWaalsContact C-N 3.33Å; R186-S188 PolarHBondContact O-N 2.81Å; S188-S191 WeakPolarHBondContact O-CB 3.48Å; S188-S191 PolarHBondContact O-N 3.46Å; S188-K192 PolarHBondContact O-N 3.4Å
189E93.2Very high93.1Very high38 Ų3840.8 Ų40.818%0.17822%0.217CC..Hα-helixtrans-63.9-45.6178.1-71.3-64.6107.200112.8W185 R186 S191 K192 S377W185-E189 HydrophobicContact CD2-CG 3.89Å; W185-E189 HydrophobicContact CE3-CG 3.82Å; W185-E189 HydrophobicContact CH2-CG 3.58Å; W185-E189 HydrophobicContact CZ2-CG 3.61Å; W185-E189 HydrophobicContact CZ3-CG 3.69Å; W185-E189 PolarHBondContact O-N 3.04Å; R186-E189 PolarHBondContact O-N 3.44Å; E189-S191 VanDerWaalsContact C-N 3.25Å; E189-S191 PolarHBondContact O-N 3.39Å; E189-K192 WeakPolarHBondContact O-CB 3.44Å; E189-K192 PolarHBondContact O-N 3.21Å; E189-K192 VanDerWaalsContact O-N 3.17Å; E189-K192 WeakPolarHBondContact OE1-CE 3.27Å; E189-K192 IonicContact OE1-NZ 2.75Å; E189-K192 PolarHBondContact OE1-NZ 3.37Å; E189-S377 PolarHBondContact OE2-OG 2.96Å
190V94.2Very high93.1Very high6 Ų640.3 Ų40.34%0.03621%0.214CC..Hα-helixtrans-59.3-40.6175.7165.90000110.8R186 K192 A193 Q194 L197 Y204 W228R186-V190 HydrophobicContact CG-CG2 4.37Å; R186-V190 WeakPolarHBondContact O-CB 3.32Å; R186-V190 WeakPolarHBondContact O-CG2 3.43Å; R186-V190 PolarHBondContact O-N 3Å; V190-K192 PolarHBondContact O-N 2.91Å; V190-A193 CarbonylContact O-C 3.58Å; V190-A193 PolarHBondContact O-N 3.28Å; V190-Q194 PolarHBondContact O-N 3.04Å; V190-L197 HydrophobicContact CG1-CD1 4.1Å; V190-Y204 HydrophobicContact CB-CE1 4.31Å; V190-Y204 HydrophobicContact CG1-CE1 3.84Å; V190-Y204 HydrophobicContact CG1-CE2 3.93Å; V190-Y204 VanDerWaalsContact CG1-CZ 3.42Å; V190-Y204 VanDerWaalsContact CG1-OH 3.3Å; V190-Y204 WeakPolarHBondContact CG1-OH 3.49Å; V190-Y204 HydrophobicContact CG2-CD1 4.24Å; V190-Y204 HydrophobicContact CG2-CE1 3.48Å; V190-Y204 VanDerWaalsContact CG2-CE1 3.48Å; V190-W228 HydrophobicContact CB-CH2 4.42Å; V190-W228 HydrophobicContact CB-CZ2 4.29Å; V190-W228 HydrophobicContact CG1-CZ2 4.19Å; V190-W228 HydrophobicContact CG2-CH2 4.12Å; V190-W228 HydrophobicContact CG2-CZ2 4.32Å
191S93.2Very high93.3Very high59 Ų5944 Ų4441%0.41323%0.234SC..Hα-helixtrans-59.9-30.9179.8-59.90000112.7Y187 S188 E189 A193Y187-S191 WeakPolarHBondContact O-CB 3.39Å; Y187-S191 PolarHBondContact O-N 2.65Å; Y187-S191 PolarHBondContact O-OG 3.17Å; S188-S191 WeakPolarHBondContact O-CB 3.48Å; S188-S191 PolarHBondContact O-N 3.46Å; E189-S191 VanDerWaalsContact C-N 3.25Å; E189-S191 PolarHBondContact O-N 3.39Å; S191-A193 VanDerWaalsContact C-N 3.31Å; S191-A193 PolarHBondContact O-N 2.98Å
192K92.7Very high93.5Very high154 Ų15444.5 Ų44.567%0.6724%0.237SC*.Hα-helixtrans-68.6-27.9177.1-62.9171.9-176.9174.40113.3S188 E189 V190S188-K192 PolarHBondContact O-N 3.4Å; E189-K192 WeakPolarHBondContact O-CB 3.44Å; E189-K192 PolarHBondContact O-N 3.21Å; E189-K192 VanDerWaalsContact O-N 3.17Å; E189-K192 WeakPolarHBondContact OE1-CE 3.27Å; E189-K192 IonicContact OE1-NZ 2.75Å; E189-K192 PolarHBondContact OE1-NZ 3.37Å; V190-K192 PolarHBondContact O-N 2.91Å
193A91.8Very high93.7Very high28 Ų2844.4 Ų44.423%0.23124%0.236CC..THydrogen-bonded Turntrans-115.918.3-178.700000112.6V190 S191 C195 D196 L197V190-A193 CarbonylContact O-C 3.58Å; V190-A193 PolarHBondContact O-N 3.28Å; S191-A193 VanDerWaalsContact C-N 3.31Å; S191-A193 PolarHBondContact O-N 2.98Å; A193-C195 VanDerWaalsContact C-N 3.25Å; A193-C195 PolarHBondContact O-N 3.08Å; A193-D196 PolarHBondContact O-N 2.93Å; A193-L197 HydrophobicContact CB-CD1 3.89Å; A193-L197 HydrophobicContact CB-CG 4.3Å; A193-L197 WeakPolarHBondContact O-CG 3.29Å; A193-L197 PolarHBondContact O-N 3.3Å
194Q92.1Very high93.8Very high86 Ų8645.1 Ų45.140%0.40224%0.239SC..Hα-helixtrans-60.1-33.3-171-177.660.247.900113.1V190 S198V190-Q194 PolarHBondContact O-N 3.04Å; Q194-S198 WeakPolarHBondContact O-CB 3.43Å; Q194-S198 PolarHBondContact O-N 3.31Å; Q194-S198 PolarHBondContact O-OG 2.93Å
195C90.6Very high94Very high93 Ų9343.4 Ų43.463%0.62823%0.232SC*.Hα-helixtrans-59.1-54.6178-174.30000110.8A193 S198 Q199A193-C195 VanDerWaalsContact C-N 3.25Å; A193-C195 PolarHBondContact O-N 3.08Å; C195-S198 PolarHBondContact O-N 3.3Å; C195-S198 PolarHBondContact O-OG 3.4Å; C195-Q199 PolarHBondContact O-N 3.45Å; C195-Q199 VanDerWaalsContact O-N 3.13Å
196D92.5Very high94.2Very high11 Ų1140.6 Ų40.66%0.05922%0.222CC..Hα-helixtrans-66.6-44.7179.9-55.1-14000111.4A193 S198 Q199 F200 Y381 R407A193-D196 PolarHBondContact O-N 2.93Å; D196-S198 VanDerWaalsContact C-N 3.25Å; D196-S198 PolarHBondContact O-N 3.46Å; D196-Q199 WeakPolarHBondContact O-CB 3.42Å; D196-Q199 PolarHBondContact O-N 3.18Å; D196-F200 HydrophobicContact CB-CE2 4.14Å; D196-F200 HydrophobicContact CB-CZ 4.35Å; D196-F200 WeakPolarHBondContact O-CD2 3.34Å; D196-F200 VanDerWaalsContact O-CG 3.27Å; D196-F200 WeakPolarHBondContact O-CG 3.4Å; D196-F200 PolarHBondContact O-N 3.49Å; D196-Y381 HydrophobicContact CB-CE2 3.66Å; D196-Y381 WeakPolarHBondContact OD2-CE2 3.5Å; D196-Y381 PolarHBondContact OD2-OH 2.98Å; D196-R407 IonicContact OD1-CZ 3.32Å; D196-R407 IonicContact OD1-NE 2.74Å; D196-R407 IonicContact OD1-NH2 2.61Å; D196-R407 PolarHBondContact OD1-NH2 2.87Å; D196-R407 IonicContact OD2-CZ 3.39Å; D196-R407 IonicContact OD2-NH2 2.7Å; D196-R407 PolarHBondContact OD2-NH2 3.18Å
197L94.5Very high94.4Very high7 Ų740.6 Ų40.64%0.03722%0.222CC..Hα-helixtrans-64.5-31.4-179.4-65.5168.5000111.9V190 A193 F200 N201 V202 Y204 Y381 A384V190-L197 HydrophobicContact CG1-CD1 4.1Å; A193-L197 HydrophobicContact CB-CD1 3.89Å; A193-L197 HydrophobicContact CB-CG 4.3Å; A193-L197 WeakPolarHBondContact O-CG 3.29Å; A193-L197 PolarHBondContact O-N 3.3Å; L197-F200 HydrophobicContact CD2-CD2 4.5Å; L197-F200 PolarHBondContact O-N 3.38Å; L197-N201 PolarHBondContact O-N 3.01Å; L197-V202 HydrophobicContact CB-CB 4.43Å; L197-V202 HydrophobicContact CB-CG2 4.3Å; L197-V202 HydrophobicContact CD2-CG2 3.97Å; L197-V202 WeakPolarHBondContact O-CG2 3.18Å; L197-V202 PolarHBondContact O-N 3.38Å; L197-V202 VanDerWaalsContact O-N 3.08Å; L197-Y204 WeakPolarHBondContact CD1-OH 3.41Å; L197-Y381 HydrophobicContact CD2-CD2 4.34Å; L197-A384 HydrophobicContact CD2-CB 4.23Å
198S93.6Very high94.5Very high71 Ų7136.5 Ų36.550%0.49721%0.206SC..Hα-helixtrans-69.7-39.8171.673.50000112.3Q194 C195 D196 F200 N201Q194-S198 WeakPolarHBondContact O-CB 3.43Å; Q194-S198 PolarHBondContact O-N 3.31Å; Q194-S198 PolarHBondContact O-OG 2.93Å; C195-S198 PolarHBondContact O-N 3.3Å; C195-S198 PolarHBondContact O-OG 3.4Å; D196-S198 VanDerWaalsContact C-N 3.25Å; D196-S198 PolarHBondContact O-N 3.46Å; S198-F200 PolarHBondContact O-N 2.76Å; S198-N201 PolarHBondContact O-N 3.07Å
199Q91.9Very high94.7Very high61 Ų6134.4 Ų34.429%0.28519%0.191SC..Hα-helixtrans-62.3-35.3174177.6-179.9-1000111.5C195 D196 N201 Y388C195-Q199 PolarHBondContact O-N 3.45Å; C195-Q199 VanDerWaalsContact O-N 3.13Å; D196-Q199 WeakPolarHBondContact O-CB 3.42Å; D196-Q199 PolarHBondContact O-N 3.18Å; Q199-N201 PolarHBondContact O-N 3.1Å; Q199-Y388 WeakPolarHBondContact O-CE2 3.35Å
200F94.7Very high94.8Very high0 Ų032.8 Ų32.80%019%0.185CC..THydrogen-bonded Turntrans-77.9-2.5175.6-56.5-25.3000113.8M167 D196 L197 S198 V202 Y381 A384 L385 Y388 V399 I403M167-F200 WeakPolarHBondContact CB-O 3.43Å; D196-F200 HydrophobicContact CB-CE2 4.14Å; D196-F200 HydrophobicContact CB-CZ 4.35Å; D196-F200 WeakPolarHBondContact O-CD2 3.34Å; D196-F200 VanDerWaalsContact O-CG 3.27Å; D196-F200 WeakPolarHBondContact O-CG 3.4Å; D196-F200 PolarHBondContact O-N 3.49Å; L197-F200 HydrophobicContact CD2-CD2 4.5Å; L197-F200 PolarHBondContact O-N 3.38Å; S198-F200 PolarHBondContact O-N 2.76Å; F200-V202 HydrophobicContact CB-CG2 3.84Å; F200-V202 PolarHBondContact O-N 3.17Å; F200-Y381 HydrophobicContact CE2-CE1 4.38Å; F200-Y381 AromaticContact CE2-CE2 3.9Å; F200-Y381 HydrophobicContact CE2-CE2 3.9Å; F200-Y381 AromaticContact CE2-CZ 3.81Å; F200-A384 HydrophobicContact CD2-CB 4.11Å; F200-L385 HydrophobicContact CE1-CD1 4.27Å; F200-L385 HydrophobicContact CE2-CB 4.33Å; F200-L385 HydrophobicContact CE2-CD1 4.45Å; F200-L385 HydrophobicContact CZ-CD1 3.82Å; F200-Y388 HydrophobicContact CB-CD2 4.29Å; F200-Y388 HydrophobicContact CD1-CD1 4.04Å; F200-Y388 AromaticContact CD1-CD2 3.83Å; F200-Y388 HydrophobicContact CD1-CD2 3.83Å; F200-Y388 HydrophobicContact CD1-CE2 4.32Å; F200-Y388 AromaticContact CD1-CG 3.65Å; F200-Y388 HydrophobicContact CD1-CG 3.65Å; F200-Y388 HydrophobicContact CE1-CD1 4.26Å; F200-Y388 HydrophobicContact CE1-CG 4.29Å; F200-Y388 HydrophobicContact CG-CD2 4.48Å; F200-Y388 HydrophobicContact CG-CG 4.39Å; F200-V399 HydrophobicContact CE1-CG1 3.73Å; F200-V399 HydrophobicContact CZ-CG1 4.26Å; F200-I403 HydrophobicContact CE1-CD1 3.74Å; F200-I403 HydrophobicContact CZ-CD1 3.48Å; F200-I403 VanDerWaalsContact CZ-CD1 3.48Å
201N96.2Very high94.7Very high78 Ų7834.3 Ų34.342%0.41720%0.195SC..THydrogen-bonded Turntrans52.949.7-175.3-170.532.4000112.6K165 Y166 M167 L197 S198 Q199K165-N201 PolarHBondContact O-ND2 3.4Å; Y166-N201 WeakPolarHBondContact CB-O 3.49Å; M167-N201 HydrophobicContact CB-CB 4.25Å; M167-N201 PolarHBondContact N-O 2.79Å; L197-N201 PolarHBondContact O-N 3.01Å; S198-N201 PolarHBondContact O-N 3.07Å; Q199-N201 PolarHBondContact O-N 3.1Å
202V97Very high94.7Very high12 Ų1233.1 Ų33.17%0.07319%0.188CC..EExtended strand (participates in β ladder)trans-82129.3177.2-174.60000110.8V170 L197 F200 Y204 A384V170-V202 HydrophobicContact CG2-CG1 3.7Å; L197-V202 HydrophobicContact CB-CB 4.43Å; L197-V202 HydrophobicContact CB-CG2 4.3Å; L197-V202 HydrophobicContact CD2-CG2 3.97Å; L197-V202 WeakPolarHBondContact O-CG2 3.18Å; L197-V202 PolarHBondContact O-N 3.38Å; L197-V202 VanDerWaalsContact O-N 3.08Å; F200-V202 HydrophobicContact CB-CG2 3.84Å; F200-V202 PolarHBondContact O-N 3.17Å; V202-Y204 HydrophobicContact CG1-CE1 4.12Å; V202-Y204 HydrophobicContact CG1-CE2 4.24Å; V202-A384 HydrophobicContact CG2-CB 3.66Å
203G97.1Very high94.7Very high2 Ų231 Ų312%0.02119%0.185CC..EExtended strand (participates in β ladder)trans-97.9165.1170.300000112.6Y166 C168 L169 V170Y166-G203 VanDerWaalsContact CG-CA 3.49Å; C168-G203 PolarHBondContact O-N 3.32Å; L169-G203 WeakPolarHBondContact CA-O 3.41Å; V170-G203 PolarHBondContact N-O 2.87Å
204Y97.1Very high94.7Very high16 Ų1633 Ų336%0.06319%0.189CC..EExtended strand (participates in β ladder)trans-135.5142.8178.2-56.1-87.3000110.8V170 V190 L197 V202 W228 P229V170-Y204 HydrophobicContact CB-CD1 3.75Å; V170-Y204 HydrophobicContact CB-CE1 3.97Å; V170-Y204 HydrophobicContact CG1-CD1 4.32Å; V170-Y204 HydrophobicContact CG2-CD1 4.22Å; V170-Y204 HydrophobicContact CG2-CE1 3.93Å; V170-Y204 CarbonylContact O-C 3.54Å; V170-Y204 WeakPolarHBondContact O-CA 3.04Å; V190-Y204 HydrophobicContact CB-CE1 4.31Å; V190-Y204 HydrophobicContact CG1-CE1 3.84Å; V190-Y204 HydrophobicContact CG1-CE2 3.93Å; V190-Y204 VanDerWaalsContact CG1-CZ 3.42Å; V190-Y204 VanDerWaalsContact CG1-OH 3.3Å; V190-Y204 WeakPolarHBondContact CG1-OH 3.49Å; V190-Y204 HydrophobicContact CG2-CD1 4.24Å; V190-Y204 HydrophobicContact CG2-CE1 3.48Å; V190-Y204 VanDerWaalsContact CG2-CE1 3.48Å; L197-Y204 WeakPolarHBondContact CD1-OH 3.41Å; V202-Y204 HydrophobicContact CG1-CE1 4.12Å; V202-Y204 HydrophobicContact CG1-CE2 4.24Å; Y204-W228 VanDerWaalsContact CB-CD2 3.42Å; Y204-W228 AromaticContact CD1-CH2 3.84Å; Y204-W228 HydrophobicContact CD1-CH2 3.84Å; Y204-W228 AromaticContact CD1-CZ2 3.61Å; Y204-W228 HydrophobicContact CD1-CZ2 3.61Å; Y204-W228 HydrophobicContact CD1-CZ3 4.44Å; Y204-W228 AromaticContact CD2-CE2 3.85Å; Y204-W228 AromaticContact CD2-CZ2 3.96Å; Y204-W228 HydrophobicContact CD2-CZ2 3.96Å; Y204-W228 AromaticContact CD2-NE1 3.64Å; Y204-W228 HydrophobicContact CE1-CH2 4.48Å; Y204-W228 HydrophobicContact CE1-CZ2 4.21Å; Y204-W228 HydrophobicContact CG-CD2 4.04Å; Y204-W228 AromaticContact CG-CE2 3.46Å; Y204-W228 VanDerWaalsContact CG-CE2 3.46Å; Y204-W228 HydrophobicContact CG-CH2 4.11Å; Y204-W228 AromaticContact CG-CZ2 3.5Å; Y204-W228 HydrophobicContact CG-CZ2 3.5Å; Y204-W228 AromaticContact CG-NE1 3.69Å; Y204-P229 WeakPolarHBondContact O-CD 3.46Å
205A97.2Very high94.8Very high0 Ų029 Ų290%017%0.171CC..EExtended strand (participates in β ladder)trans-144.7153.3170.700000110.4L159 L169 V170 V171 I172L159-A205 HydrophobicContact CD2-CB 4.35Å; L169-A205 HydrophobicContact CD1-CB 4.24Å; V170-A205 PolarHBondContact O-N 3.11Å; V171-A205 WeakPolarHBondContact CA-O 3.48Å; I172-A205 PolarHBondContact N-O 3.18Å
206V97.7Very high95Very high0 Ų030.6 Ų30.60%016%0.163CC..EExtended strand (participates in β ladder)trans-113125.5173.6-179.80000108.1I172 V183 W218 W228 P229 V230 L231I172-V206 CarbonylContact O-C 3.43Å; I172-V206 VanDerWaalsContact O-CA 3.3Å; I172-V206 WeakPolarHBondContact O-CA 3.32Å; V183-V206 HydrophobicContact CG1-CG2 3.97Å; V183-V206 HydrophobicContact CG2-CG1 3.93Å; V183-V206 HydrophobicContact CG2-CG2 4.12Å; V206-W218 HydrophobicContact CG1-CH2 3.83Å; V206-W218 HydrophobicContact CG1-CZ3 4.04Å; V206-W228 HydrophobicContact CG2-CE3 4.23Å; V206-P229 PolarHBondContact N-O 3.21Å; V206-V230 HydrophobicContact CB-CB 4.46Å; V206-V230 HydrophobicContact CB-CG1 4.14Å; V206-V230 HydrophobicContact CB-CG2 4.25Å; V206-V230 HydrophobicContact CG1-CG1 4.11Å; V206-V230 CarbonylContact O-C 3.52Å; V206-V230 WeakPolarHBondContact O-CA 3.46Å; V206-L231 PolarHBondContact O-N 3.11Å
207V97.4Very high95Very high0 Ų033.5 Ų33.50%019%0.185CC..EExtended strand (participates in β ladder)trans-104.3129.2170.5178.20000108.6L148 L159 V171 I172 C173 Q174 L231 D233 F238L148-V207 HydrophobicContact CD1-CG1 4.39Å; L148-V207 HydrophobicContact CD1-CG2 3.87Å; L148-V207 HydrophobicContact CD2-CG1 4.17Å; L159-V207 HydrophobicContact CD1-CG2 4.29Å; L159-V207 HydrophobicContact CD2-CG2 4.39Å; V171-V207 HydrophobicContact CG1-CB 4.2Å; V171-V207 HydrophobicContact CG1-CG2 3.5Å; V171-V207 VanDerWaalsContact CG1-CG2 3.5Å; I172-V207 PolarHBondContact O-N 3.3Å; C173-V207 VanDerWaalsContact CA-O 3.3Å; C173-V207 WeakPolarHBondContact CA-O 3.47Å; Q174-V207 PolarHBondContact N-O 2.61Å; V207-L231 CarbonylContact C-O 3.56Å; V207-L231 VanDerWaalsContact CA-O 3.31Å; V207-L231 WeakPolarHBondContact CA-O 3.26Å; V207-L231 HydrophobicContact CG2-CB 4.35Å; V207-D233 HydrophobicContact CG1-CB 4.13Å; V207-F238 HydrophobicContact CB-CE1 4.29Å; V207-F238 HydrophobicContact CG1-CD1 3.74Å; V207-F238 HydrophobicContact CG1-CE1 3.9Å; V207-F238 HydrophobicContact CG1-CG 4.38Å; V207-F238 HydrophobicContact CG2-CE1 4.43Å; V207-F238 HydrophobicContact CG2-CZ 4.47Å
208T97.6Very high95Very high0 Ų033.8 Ų33.80%019%0.185CC..EExtended strand (participates in β ladder)trans-134.3160.1-176.2-164.70000112.2Q174 A176 V215 W218 V230 L231 W232 D233Q174-T208 VanDerWaalsContact O-CA 3.27Å; Q174-T208 WeakPolarHBondContact O-CA 3.12Å; Q174-T208 VanDerWaalsContact O-CB 3.26Å; Q174-T208 WeakPolarHBondContact O-CB 3.44Å; Q174-T208 PolarHBondContact O-OG1 3.44Å; A176-T208 WeakPolarHBondContact CB-OG1 3.44Å; A176-T208 PolarHBondContact N-OG1 3.05Å; A176-T208 VanDerWaalsContact N-OG1 3.15Å; T208-V215 HydrophobicContact CG2-CG1 4.06Å; T208-W218 HydrophobicContact CG2-CE3 4.45Å; T208-W218 HydrophobicContact CG2-CZ3 4.26Å; T208-V230 HydrophobicContact CG2-CG1 3.97Å; T208-L231 PolarHBondContact N-O 3.05Å; T208-W232 WeakPolarHBondContact O-CA 3.36Å; T208-D233 PolarHBondContact O-N 3.12Å
209W96.3Very high95.1Very high0 Ų030.4 Ų30.40%016%0.162CC..  trans-149.3160.317760.198.7000109.7C173 P175 A176 D233 F244 Q285 G287C173-W209 HydrophobicContact CB-CH2 4.29Å; C173-W209 HydrophobicContact CB-CZ3 4.01Å; P175-W209 HydrophobicContact CB-CZ2 3.96Å; P175-W209 HydrophobicContact CG-CZ2 4.21Å; A176-W209 PolarHBondContact N-O 3.09Å; W209-D233 HydrophobicContact CB-CB 4.47Å; W209-F244 HydrophobicContact CH2-CD2 4.26Å; W209-F244 HydrophobicContact CH2-CE2 4.37Å; W209-F244 HydrophobicContact CZ3-CE2 4.36Å; W209-Q285 HydrophobicContact CZ2-CB 4.15Å; W209-G287 VanDerWaalsContact CH2-CA 3.45Å
210G94.9Very high95.1Very high5 Ų533.3 Ų33.35%0.05217%0.173CC..SBendtrans150.8179.4-176.100000111.2W283G210-W283 VanDerWaalsContact CA-CZ3 3.43Å
211P93.4Very high95Very high37 Ų3735.4 Ų35.424%0.2418%0.183CC..  trans-56.7143.3170-20.631.3000111.1D213 E214 V215 L278 W283P211-D213 VanDerWaalsContact C-N 3.26Å; P211-D213 PolarHBondContact O-N 2.7Å; P211-D213 VanDerWaalsContact O-N 3.16Å; P211-E214 HydrophobicContact CB-CB 4.49Å; P211-E214 HydrophobicContact CB-CG 4.13Å; P211-E214 HydrophobicContact CG-CG 4.24Å; P211-E214 PolarHBondContact O-N 3.32Å; P211-E214 VanDerWaalsContact O-N 3.12Å; P211-V215 WeakPolarHBondContact O-CG2 3.47Å; P211-V215 PolarHBondContact O-N 3.41Å; P211-L278 HydrophobicContact CG-CD1 3.4Å; P211-W283 HydrophobicContact CG-CD2 4.48Å; P211-W283 HydrophobicContact CG-CZ2 4.13Å
212A92.8Very high94.9Very high34 Ų3431.7 Ų31.728%0.28116%0.163SC..Hα-helixtrans-58-36.3-170.400000113.8R216 W232A212-R216 WeakPolarHBondContact O-CG 2.82Å; A212-R216 PolarHBondContact O-N 3.42Å; A212-R216 VanDerWaalsContact O-N 3.13Å; A212-R216 PolarHBondContact O-NE 2.87Å; A212-W232 HydrophobicContact CB-CH2 3.65Å; A212-W232 HydrophobicContact CB-CZ2 4Å
213D91.4Very high94.7Very high111 Ų11132.8 Ų32.859%0.59417%0.169SC*.Hα-helixtrans-72.7-38.4-179.4-63.8-31.1000112.1P211 R216 S217P211-D213 VanDerWaalsContact C-N 3.26Å; P211-D213 PolarHBondContact O-N 2.7Å; P211-D213 VanDerWaalsContact O-N 3.16Å; D213-R216 PolarHBondContact O-N 3.03Å; D213-R216 IonicContact OD1-CZ 3.62Å; D213-R216 IonicContact OD1-NE 3.93Å; D213-R216 IonicContact OD1-NH2 3.66Å; D213-R216 PolarHBondContact OD1-NH2 3.33Å; D213-S217 PolarHBondContact O-N 2.97Å; D213-S217 VanDerWaalsContact O-N 3.1Å
214E93Very high94.5Very high68 Ų6842.7 Ų42.732%0.31821%0.205SC..Hα-helixtrans-68.1-44.8176.1-56.9-55.516000111.2P211 R216 S217 W218 P275P211-E214 HydrophobicContact CB-CB 4.49Å; P211-E214 HydrophobicContact CB-CG 4.13Å; P211-E214 HydrophobicContact CG-CG 4.24Å; P211-E214 PolarHBondContact O-N 3.32Å; P211-E214 VanDerWaalsContact O-N 3.12Å; E214-R216 VanDerWaalsContact C-N 3.3Å; E214-R216 PolarHBondContact O-N 3.06Å; E214-S217 PolarHBondContact O-N 3.12Å; E214-W218 WeakPolarHBondContact O-CB 3.37Å; E214-W218 PolarHBondContact O-N 3.11Å; E214-P275 HydrophobicContact CG-CB 4.46Å; E214-P275 HydrophobicContact CG-CG 3.76Å; E214-P275 WeakPolarHBondContact OE1-CG 3.47Å; E214-P275 VanDerWaalsContact OE2-CG 3.29Å; E214-P275 WeakPolarHBondContact OE2-CG 3.47Å
215V94.8Very high94.1Very high4 Ų443.8 Ų43.82%0.02421%0.212CC..Hα-helixtrans-56-45.7174.4173.70000110.7A176 T208 P211 S217 W218 C219 W232A176-V215 HydrophobicContact CB-CB 4.17Å; A176-V215 HydrophobicContact CB-CG2 3.62Å; T208-V215 HydrophobicContact CG2-CG1 4.06Å; P211-V215 WeakPolarHBondContact O-CG2 3.47Å; P211-V215 PolarHBondContact O-N 3.41Å; V215-S217 PolarHBondContact O-N 3.32Å; V215-W218 PolarHBondContact O-N 3.49Å; V215-C219 VanDerWaalsContact O-CB 3.26Å; V215-C219 WeakPolarHBondContact O-CB 3.31Å; V215-C219 PolarHBondContact O-N 3.44Å; V215-C219 PolarHBondContact O-SG 3.32Å; V215-W232 HydrophobicContact CG1-CB 4.16Å; V215-W232 HydrophobicContact CG1-CD2 4.02Å; V215-W232 HydrophobicContact CG1-CG 3.79Å
216R93.5Very high93.9Very high125 Ų12543.8 Ų43.847%0.47221%0.212SC..Hα-helixtrans-61.9-43.5178.5-81.1-175.1-83.3-99.95112.9A212 D213 E214 K220A212-R216 WeakPolarHBondContact O-CG 2.82Å; A212-R216 PolarHBondContact O-N 3.42Å; A212-R216 VanDerWaalsContact O-N 3.13Å; A212-R216 PolarHBondContact O-NE 2.87Å; D213-R216 PolarHBondContact O-N 3.03Å; D213-R216 IonicContact OD1-CZ 3.62Å; D213-R216 IonicContact OD1-NE 3.93Å; D213-R216 IonicContact OD1-NH2 3.66Å; D213-R216 PolarHBondContact OD1-NH2 3.33Å; E214-R216 VanDerWaalsContact C-N 3.3Å; E214-R216 PolarHBondContact O-N 3.06Å; R216-K220 WeakPolarHBondContact O-CG 3.48Å; R216-K220 PolarHBondContact O-N 3.05Å
217S92.6Very high93.6Very high73 Ų7351.4 Ų51.451%0.5125%0.245SC..Hα-helixtrans-67-47.4178.6-170.30000111.3D213 E214 V215 K220 Q221D213-S217 PolarHBondContact O-N 2.97Å; D213-S217 VanDerWaalsContact O-N 3.1Å; E214-S217 PolarHBondContact O-N 3.12Å; V215-S217 PolarHBondContact O-N 3.32Å; S217-K220 WeakPolarHBondContact O-CB 3.23Å; S217-K220 PolarHBondContact O-N 3.49Å; S217-Q221 PolarHBondContact O-N 2.99Å
218W94.8Very high93.5Very high13 Ų1352.7 Ų52.75%0.04925%0.25CS..Hα-helixtrans-63.3-46.2-179-170.698000112.3Q174 A176 W178 D180 V183 V206 T208 E214 V215 K220 Q221 V222 V230Q174-W218 HydrophobicContact CB-CH2 4.46Å; Q174-W218 HydrophobicContact CB-CZ2 4.41Å; Q174-W218 HydrophobicContact CG-CZ2 4.36Å; A176-W218 HydrophobicContact CB-CB 3.85Å; A176-W218 HydrophobicContact CB-CD2 4.12Å; A176-W218 HydrophobicContact CB-CE3 4.38Å; A176-W218 HydrophobicContact CB-CG 3.89Å; W178-W218 PolarHBondContact O-NE1 2.86Å; D180-W218 HydrophobicContact CB-CZ2 3.94Å; V183-W218 HydrophobicContact CG2-CH2 4.01Å; V183-W218 HydrophobicContact CG2-CZ2 4.36Å; V206-W218 HydrophobicContact CG1-CH2 3.83Å; V206-W218 HydrophobicContact CG1-CZ3 4.04Å; T208-W218 HydrophobicContact CG2-CE3 4.45Å; T208-W218 HydrophobicContact CG2-CZ3 4.26Å; E214-W218 WeakPolarHBondContact O-CB 3.37Å; E214-W218 PolarHBondContact O-N 3.11Å; V215-W218 PolarHBondContact O-N 3.49Å; W218-K220 VanDerWaalsContact C-N 3.29Å; W218-K220 PolarHBondContact O-N 3.27Å; W218-Q221 WeakPolarHBondContact O-CA 3.38Å; W218-Q221 WeakPolarHBondContact O-CB 3.49Å; W218-Q221 PolarHBondContact O-N 2.86Å; W218-V222 HydrophobicContact CD2-CG2 3.83Å; W218-V222 HydrophobicContact CE3-CB 4.45Å; W218-V222 HydrophobicContact CE3-CG2 3.61Å; W218-V222 HydrophobicContact CH2-CG2 3.56Å; W218-V222 HydrophobicContact CZ2-CG2 3.74Å; W218-V222 HydrophobicContact CZ3-CB 4.26Å; W218-V222 HydrophobicContact CZ3-CG2 3.48Å; W218-V222 VanDerWaalsContact CZ3-CG2 3.48Å; W218-V222 PolarHBondContact O-N 3.36Å; W218-V230 HydrophobicContact CZ3-CG1 3.97Å
219C95.2Very high93.4Very high0 Ų054.3 Ų54.30%026%0.261CS..Hα-helixtrans-60.7-37.3177.6-69.90000112.3W151 V215 Q221 V222 N223 V230W151-C219 HydrophobicContact CB-CB 4.1Å; W151-C219 HydrophobicContact CD2-CB 3.58Å; W151-C219 HydrophobicContact CE3-CB 3.88Å; W151-C219 HydrophobicContact CG-CB 3.7Å; V215-C219 VanDerWaalsContact O-CB 3.26Å; V215-C219 WeakPolarHBondContact O-CB 3.31Å; V215-C219 PolarHBondContact O-N 3.44Å; V215-C219 PolarHBondContact O-SG 3.32Å; C219-Q221 VanDerWaalsContact C-N 3.29Å; C219-Q221 PolarHBondContact O-N 2.88Å; C219-V222 PolarHBondContact O-N 2.72Å; C219-N223 VanDerWaalsContact O-CB 3.31Å; C219-N223 WeakPolarHBondContact O-CB 3.33Å; C219-N223 PolarHBondContact O-N 3.43Å; C219-V230 HydrophobicContact CB-CG1 4.43Å; C219-V230 WeakPolarHBondContact SG-CG1 3.47Å
220K93.1Very high93.5Very high122 Ų12254.3 Ų54.353%0.5326%0.261SS..Hα-helixtrans-62.5-38.5174-74.1172.7-177.8177.70111.7W151 R216 S217 W218 R224W151-K220 HydrophobicContact CH2-CG 4.2Å; W151-K220 HydrophobicContact CZ3-CG 3.9Å; R216-K220 WeakPolarHBondContact O-CG 3.48Å; R216-K220 PolarHBondContact O-N 3.05Å; S217-K220 WeakPolarHBondContact O-CB 3.23Å; S217-K220 PolarHBondContact O-N 3.49Å; W218-K220 VanDerWaalsContact C-N 3.29Å; W218-K220 PolarHBondContact O-N 3.27Å; K220-R224 WeakPolarHBondContact O-CG 3.49Å; K220-R224 PolarHBondContact O-N 2.95Å
221Q91.9Very high93.6Very high43 Ų4354 Ų5420%0.20126%0.258CS..Hα-helixtrans-65.9-51176-175.7178.9-24.600110.7D180 S217 W218 C219 N223 R224 I225 N272D180-Q221 PolarHBondContact OD1-NE2 3.01Å; D180-Q221 WeakPolarHBondContact OD2-CG 3.41Å; D180-Q221 PolarHBondContact OD2-NE2 3.41Å; S217-Q221 PolarHBondContact O-N 2.99Å; W218-Q221 WeakPolarHBondContact O-CA 3.38Å; W218-Q221 WeakPolarHBondContact O-CB 3.49Å; W218-Q221 PolarHBondContact O-N 2.86Å; C219-Q221 VanDerWaalsContact C-N 3.29Å; C219-Q221 PolarHBondContact O-N 2.88Å; Q221-N223 VanDerWaalsContact C-N 3.32Å; Q221-N223 PolarHBondContact O-N 3.22Å; Q221-R224 WeakPolarHBondContact O-CB 3.45Å; Q221-R224 PolarHBondContact O-N 2.97Å; Q221-R224 VanDerWaalsContact O-N 3.08Å; Q221-I225 HydrophobicContact CG-CD1 4.37Å; Q221-I225 WeakPolarHBondContact O-CD1 3.22Å; Q221-N272 PolarHBondContact OE1-ND2 2.85Å
222V94.3Very high93.8Very high1 Ų153.6 Ų53.61%0.00625%0.252CS..Hα-helixtrans-58.2-43.2179.6174.80000112D180 V183 W218 C219 R224 I225 T226 V230D180-V222 HydrophobicContact CB-CG2 3.76Å; V183-V222 HydrophobicContact CG1-CG1 3.9Å; W218-V222 HydrophobicContact CD2-CG2 3.83Å; W218-V222 HydrophobicContact CE3-CB 4.45Å; W218-V222 HydrophobicContact CE3-CG2 3.61Å; W218-V222 HydrophobicContact CH2-CG2 3.56Å; W218-V222 HydrophobicContact CZ2-CG2 3.74Å; W218-V222 HydrophobicContact CZ3-CB 4.26Å; W218-V222 HydrophobicContact CZ3-CG2 3.48Å; W218-V222 VanDerWaalsContact CZ3-CG2 3.48Å; W218-V222 PolarHBondContact O-N 3.36Å; C219-V222 PolarHBondContact O-N 2.72Å; V222-R224 PolarHBondContact O-N 3.4Å; V222-R224 VanDerWaalsContact O-N 3.17Å; V222-I225 PolarHBondContact O-N 3.22Å; V222-T226 PolarHBondContact O-N 2.93Å; V222-V230 HydrophobicContact CB-CG2 4.41Å; V222-V230 HydrophobicContact CG1-CG2 3.87Å
223N93.2Very high94Very high34 Ų3452 Ų5218%0.18224%0.238CC..Hα-helixtrans-66-17179.7-173.461.6000114.9W151 Q152 C219 Q221 I225 T226 K227W151-N223 HydrophobicContact CH2-CB 4.21Å; W151-N223 HydrophobicContact CZ2-CB 3.42Å; W151-N223 VanDerWaalsContact CZ2-CB 3.42Å; W151-N223 VanDerWaalsContact CZ2-CG 3.49Å; Q152-N223 PolarHBondContact NE2-OD1 2.98Å; C219-N223 VanDerWaalsContact O-CB 3.31Å; C219-N223 WeakPolarHBondContact O-CB 3.33Å; C219-N223 PolarHBondContact O-N 3.43Å; Q221-N223 VanDerWaalsContact C-N 3.32Å; Q221-N223 PolarHBondContact O-N 3.22Å; N223-I225 VanDerWaalsContact C-N 3.34Å; N223-T226 CarbonylContact C-O 3.52Å; N223-T226 VanDerWaalsContact CA-O 3.28Å; N223-T226 WeakPolarHBondContact CA-O 3.34Å; N223-K227 PolarHBondContact O-NZ 3.29Å; N223-K227 VanDerWaalsContact O-NZ 3.1Å
224R91.8Very high94.1Very high210 Ų21052.9 Ų52.979%0.79224%0.237SC*.Hα-helixtrans-75.9-27.1170.7-70.3171.1178.2179-0.7111.6K220 Q221 V222K220-R224 WeakPolarHBondContact O-CG 3.49Å; K220-R224 PolarHBondContact O-N 2.95Å; Q221-R224 WeakPolarHBondContact O-CB 3.45Å; Q221-R224 PolarHBondContact O-N 2.97Å; Q221-R224 VanDerWaalsContact O-N 3.08Å; V222-R224 PolarHBondContact O-N 3.4Å; V222-R224 VanDerWaalsContact O-N 3.17Å
225I89.1Confident94.1Very high40 Ų4052.9 Ų52.921%0.20524%0.244CC..Hα-helixtrans-95.7-50.1-176.2-59.4140.1000110.6D180 R184 Y187 Q221 V222 N223D180-I225 WeakPolarHBondContact OD2-CD1 3.18Å; R184-I225 HydrophobicContact CG-CD1 3.7Å; R184-I225 HydrophobicContact CG-CG1 4.41Å; R184-I225 HydrophobicContact CG-CG2 4.1Å; Y187-I225 HydrophobicContact CD1-CG2 4.31Å; Q221-I225 HydrophobicContact CG-CD1 4.37Å; Q221-I225 WeakPolarHBondContact O-CD1 3.22Å; V222-I225 PolarHBondContact O-N 3.22Å; N223-I225 VanDerWaalsContact C-N 3.34Å
226T92.2Very high94Very high0 Ų053 Ų530%025%0.246CC..  trans-115.4151.3-179.482.70000109.5V183 Y187 V222 N223 W228V183-T226 HydrophobicContact CG1-CG2 4.13Å; Y187-T226 HydrophobicContact CD1-CG2 4.21Å; Y187-T226 HydrophobicContact CD2-CG2 3.47Å; Y187-T226 VanDerWaalsContact CD2-CG2 3.47Å; Y187-T226 HydrophobicContact CE2-CG2 4.15Å; Y187-T226 HydrophobicContact CG-CG2 3.52Å; V222-T226 PolarHBondContact O-N 2.93Å; N223-T226 CarbonylContact C-O 3.52Å; N223-T226 VanDerWaalsContact CA-O 3.28Å; N223-T226 WeakPolarHBondContact CA-O 3.34Å; T226-W228 VanDerWaalsContact C-N 3.28Å; T226-W228 HydrophobicContact CG2-CD2 4.49Å; T226-W228 HydrophobicContact CG2-CE3 4.34Å; T226-W228 PolarHBondContact OG1-N 2.94Å
227K92.8Very high93.9Very high160 Ų16050.9 Ų50.970%0.69624%0.244SC*.  trans-96.617.9169.3-60.9-56.8179-163.30112N223N223-K227 PolarHBondContact O-NZ 3.29Å; N223-K227 VanDerWaalsContact O-NZ 3.1Å
228W95.4Very high93.9Very high26 Ų2647.5 Ų47.510%0.09822%0.22CC..SBendtrans-73.5141.2179.2-59.7-17.8000109.9I172 R186 Y187 V190 Y204 V206 T226 V230I172-W228 HydrophobicContact CD1-CE3 4.03Å; I172-W228 HydrophobicContact CD1-CH2 4.44Å; I172-W228 HydrophobicContact CD1-CZ3 3.6Å; R186-W228 HydrophobicContact CG-CH2 4.24Å; R186-W228 HydrophobicContact CG-CZ3 4.37Å; Y187-W228 HydrophobicContact CD2-CD2 4.39Å; Y187-W228 AromaticContact CD2-CE2 3.78Å; Y187-W228 AromaticContact CD2-CH2 4Å; Y187-W228 HydrophobicContact CD2-CH2 4Å; Y187-W228 AromaticContact CD2-CZ2 3.59Å; Y187-W228 HydrophobicContact CD2-CZ2 3.59Å; Y187-W228 HydrophobicContact CE2-CZ2 4.35Å; V190-W228 HydrophobicContact CB-CH2 4.42Å; V190-W228 HydrophobicContact CB-CZ2 4.29Å; V190-W228 HydrophobicContact CG1-CZ2 4.19Å; V190-W228 HydrophobicContact CG2-CH2 4.12Å; V190-W228 HydrophobicContact CG2-CZ2 4.32Å; Y204-W228 VanDerWaalsContact CB-CD2 3.42Å; Y204-W228 AromaticContact CD1-CH2 3.84Å; Y204-W228 HydrophobicContact CD1-CH2 3.84Å; Y204-W228 AromaticContact CD1-CZ2 3.61Å; Y204-W228 HydrophobicContact CD1-CZ2 3.61Å; Y204-W228 HydrophobicContact CD1-CZ3 4.44Å; Y204-W228 AromaticContact CD2-CE2 3.85Å; Y204-W228 AromaticContact CD2-CZ2 3.96Å; Y204-W228 HydrophobicContact CD2-CZ2 3.96Å; Y204-W228 AromaticContact CD2-NE1 3.64Å; Y204-W228 HydrophobicContact CE1-CH2 4.48Å; Y204-W228 HydrophobicContact CE1-CZ2 4.21Å; Y204-W228 HydrophobicContact CG-CD2 4.04Å; Y204-W228 AromaticContact CG-CE2 3.46Å; Y204-W228 VanDerWaalsContact CG-CE2 3.46Å; Y204-W228 HydrophobicContact CG-CH2 4.11Å; Y204-W228 AromaticContact CG-CZ2 3.5Å; Y204-W228 HydrophobicContact CG-CZ2 3.5Å; Y204-W228 AromaticContact CG-NE1 3.69Å; V206-W228 HydrophobicContact CG2-CE3 4.23Å; T226-W228 VanDerWaalsContact C-N 3.28Å; T226-W228 HydrophobicContact CG2-CD2 4.49Å; T226-W228 HydrophobicContact CG2-CE3 4.34Å; T226-W228 PolarHBondContact OG1-N 2.94Å; W228-V230 PolarHBondContact O-N 3.19Å
229P95.8Very high93.8Very high34 Ų3449 Ų4922%0.22123%0.226CC..  trans-53.3131.9169.6-22.931.7000110.7Y162 Y204 V206 L231Y162-P229 HydrophobicContact CD1-CG 4.04Å; Y162-P229 HydrophobicContact CE1-CB 3.74Å; Y162-P229 HydrophobicContact CE1-CG 3.45Å; Y162-P229 VanDerWaalsContact CE1-CG 3.45Å; Y204-P229 WeakPolarHBondContact O-CD 3.46Å; V206-P229 PolarHBondContact N-O 3.21Å; P229-L231 HydrophobicContact CB-CD2 4.26Å
230V97Very high93.6Very high0 Ų052.5 Ų52.50%026%0.255CS..EExtended strand (participates in β ladder)trans-112.3119.4173.2-168.90000108.5W151 V206 T208 W218 C219 V222 W228W151-V230 VanDerWaalsContact CD1-CB 3.46Å; W151-V230 HydrophobicContact CG-CB 4.27Å; W151-V230 PolarHBondContact N-O 3.06Å; V206-V230 HydrophobicContact CB-CB 4.46Å; V206-V230 HydrophobicContact CB-CG1 4.14Å; V206-V230 HydrophobicContact CB-CG2 4.25Å; V206-V230 HydrophobicContact CG1-CG1 4.11Å; V206-V230 CarbonylContact O-C 3.52Å; V206-V230 WeakPolarHBondContact O-CA 3.46Å; T208-V230 HydrophobicContact CG2-CG1 3.97Å; W218-V230 HydrophobicContact CZ3-CG1 3.97Å; C219-V230 HydrophobicContact CB-CG1 4.43Å; C219-V230 WeakPolarHBondContact SG-CG1 3.47Å; V222-V230 HydrophobicContact CB-CG2 4.41Å; V222-V230 HydrophobicContact CG1-CG2 3.87Å; W228-V230 PolarHBondContact O-N 3.19Å
231L97.2Very high93.4Very high0 Ų052.8 Ų52.80%026%0.256CS..EExtended strand (participates in β ladder)trans-114.9126-169.7-52.3-175.5000108.8L148 I149 D150 V157 L159 Y162 V206 V207 T208 P229L148-L231 HydrophobicContact CB-CB 3.99Å; L148-L231 HydrophobicContact CD1-CB 3.75Å; L148-L231 HydrophobicContact CD1-CD1 3.76Å; L148-L231 HydrophobicContact CD1-CG 4.43Å; L148-L231 HydrophobicContact CG-CB 4.46Å; I149-L231 CarbonylContact O-C 3.47Å; D150-L231 HydrophobicContact CB-CD2 4.23Å; V157-L231 HydrophobicContact CG2-CD1 4.48Å; V157-L231 HydrophobicContact CG2-CD2 3.73Å; L159-L231 HydrophobicContact CD2-CD1 3.56Å; L159-L231 HydrophobicContact CG-CD1 4.24Å; Y162-L231 HydrophobicContact CD2-CD1 4.37Å; Y162-L231 HydrophobicContact CE2-CD1 4Å; Y162-L231 HydrophobicContact CE2-CD2 4.24Å; V206-L231 PolarHBondContact O-N 3.11Å; V207-L231 CarbonylContact C-O 3.56Å; V207-L231 VanDerWaalsContact CA-O 3.31Å; V207-L231 WeakPolarHBondContact CA-O 3.26Å; V207-L231 HydrophobicContact CG2-CB 4.35Å; T208-L231 PolarHBondContact N-O 3.05Å; P229-L231 HydrophobicContact CB-CD2 4.26Å
232W97.4Very high93.3Very high28 Ų2851.3 Ų51.311%0.10625%0.25CC..EExtended strand (participates in β ladder)trans-94.6116.4-177.4178.226.9000111I149 T208 A212 V215 K234I149-W232 HydrophobicContact CB-CB 4.31Å; I149-W232 HydrophobicContact CB-CE3 4.4Å; I149-W232 HydrophobicContact CD1-CE3 4.18Å; I149-W232 HydrophobicContact CD1-CZ3 4.47Å; I149-W232 PolarHBondContact N-O 3.46Å; I149-W232 PolarHBondContact O-N 2.63Å; T208-W232 WeakPolarHBondContact O-CA 3.36Å; A212-W232 HydrophobicContact CB-CH2 3.65Å; A212-W232 HydrophobicContact CB-CZ2 4Å; V215-W232 HydrophobicContact CG1-CB 4.16Å; V215-W232 HydrophobicContact CG1-CD2 4.02Å; V215-W232 HydrophobicContact CG1-CG 3.79Å; W232-K234 VanDerWaalsContact C-N 3.27Å; W232-K234 HydrophobicContact CD2-CB 3.91Å; W232-K234 HydrophobicContact CD2-CG 4.4Å; W232-K234 HydrophobicContact CE3-CB 4.27Å; W232-K234 HydrophobicContact CE3-CD 4.35Å; W232-K234 HydrophobicContact CG-CB 4.36Å; W232-K234 HydrophobicContact CH2-CB 4.41Å; W232-K234 HydrophobicContact CH2-CD 3.75Å; W232-K234 HydrophobicContact CH2-CG 3.85Å; W232-K234 HydrophobicContact CZ2-CB 4.06Å; W232-K234 HydrophobicContact CZ2-CD 4.14Å; W232-K234 HydrophobicContact CZ2-CG 3.69Å; W232-K234 HydrophobicContact CZ3-CD 3.86Å; W232-K234 HydrophobicContact CZ3-CG 4.26Å; W232-K234 PolarHBondContact O-N 2.9Å
233D96.8Very high93.1Very high0 Ų052.3 Ų52.30%026%0.261CS..  trans-79.176169.2-179.921.5000110.1L148 V207 T208 W209 G236 D237 F238 R239L148-D233 HydrophobicContact CD2-CB 3.67Å; V207-D233 HydrophobicContact CG1-CB 4.13Å; T208-D233 PolarHBondContact O-N 3.12Å; W209-D233 HydrophobicContact CB-CB 4.47Å; D233-G236 WeakPolarHBondContact OD1-CA 3.42Å; D233-G236 PolarHBondContact OD1-N 3.43Å; D233-G236 WeakPolarHBondContact OD2-CA 3.48Å; D233-D237 PolarHBondContact OD1-N 3.43Å; D233-F238 HydrophobicContact CB-CB 4.32Å; D233-R239 PolarHBondContact O-NH1 3.4Å; D233-R239 WeakPolarHBondContact OD2-CB 3.24Å; D233-R239 VanDerWaalsContact OD2-CG 3.26Å; D233-R239 WeakPolarHBondContact OD2-CG 3.39Å; D233-R239 PolarHBondContact OD2-N 3.22Å; D233-R239 IonicContact OD2-NH1 3.1Å
234K94.8Very high93Very high130 Ų13051.3 Ų51.357%0.56526%0.255SS*.SBendtrans-67.8-42.4-175.8-176.4178.2178.6-173.30112.5I149 W232I149-K234 HydrophobicContact CD1-CB 3.83Å; I149-K234 HydrophobicContact CD1-CD 3.47Å; I149-K234 VanDerWaalsContact CD1-CD 3.47Å; I149-K234 HydrophobicContact CD1-CG 4.3Å; W232-K234 VanDerWaalsContact C-N 3.27Å; W232-K234 HydrophobicContact CD2-CB 3.91Å; W232-K234 HydrophobicContact CD2-CG 4.4Å; W232-K234 HydrophobicContact CE3-CB 4.27Å; W232-K234 HydrophobicContact CE3-CD 4.35Å; W232-K234 HydrophobicContact CG-CB 4.36Å; W232-K234 HydrophobicContact CH2-CB 4.41Å; W232-K234 HydrophobicContact CH2-CD 3.75Å; W232-K234 HydrophobicContact CH2-CG 3.85Å; W232-K234 HydrophobicContact CZ2-CB 4.06Å; W232-K234 HydrophobicContact CZ2-CD 4.14Å; W232-K234 HydrophobicContact CZ2-CG 3.69Å; W232-K234 HydrophobicContact CZ3-CD 3.86Å; W232-K234 HydrophobicContact CZ3-CG 4.26Å; W232-K234 PolarHBondContact O-N 2.9Å
235S92.2Very high93Very high67 Ų6745.1 Ų45.147%0.46923%0.233SC..SBendtrans-77.2-31.9-17955.70000112.4D237S235-D237 WeakPolarHBondContact CB-OD2 3.34Å; S235-D237 PolarHBondContact OG-N 2.83Å; S235-D237 PolarHBondContact OG-OD2 2.93Å
236G92.6Very high93.2Very high6 Ų646 Ų466%0.06224%0.243CC..SBendtrans905.2-173.100000115.1D233 F238 R239 A240D233-G236 WeakPolarHBondContact OD1-CA 3.42Å; D233-G236 PolarHBondContact OD1-N 3.43Å; D233-G236 WeakPolarHBondContact OD2-CA 3.48Å; G236-F238 VanDerWaalsContact C-N 3.28Å; G236-F238 PolarHBondContact O-N 3.36Å; G236-R239 VanDerWaalsContact O-CG 3.29Å; G236-R239 WeakPolarHBondContact O-CG 3.45Å; G236-A240 WeakPolarHBondContact O-CB 3.26Å; G236-A240 PolarHBondContact O-N 3.39Å
237D91.9Very high93.2Very high82 Ų8246.1 Ų46.144%0.43925%0.245SC..Hα-helixtrans-64.4-38.7179.5-58.7-40.7000110.7L146 D233 S235 K241L146-D237 HydrophobicContact CD2-CB 4.26Å; D233-D237 PolarHBondContact OD1-N 3.43Å; S235-D237 WeakPolarHBondContact CB-OD2 3.34Å; S235-D237 PolarHBondContact OG-N 2.83Å; S235-D237 PolarHBondContact OG-OD2 2.93Å; D237-K241 WeakPolarHBondContact O-CB 3.43Å; D237-K241 PolarHBondContact O-N 2.94Å
238F92.9Very high93.3Very high1 Ų138.6 Ų38.60%0.00421%0.212CC..Hα-helixtrans-64.8-54.8178.6180-89.5000111.1L146 L148 L159 V207 D233 G236 A240 K241 I242 F244 L290L146-F238 HydrophobicContact CB-CD2 4.38Å; L146-F238 HydrophobicContact CD1-CD2 4Å; L148-F238 HydrophobicContact CD2-CB 4Å; L148-F238 HydrophobicContact CD2-CG 4.38Å; L159-F238 HydrophobicContact CD1-CD2 4.16Å; L159-F238 HydrophobicContact CD1-CE2 3.47Å; L159-F238 VanDerWaalsContact CD1-CE2 3.47Å; L159-F238 HydrophobicContact CD1-CZ 4.07Å; V207-F238 HydrophobicContact CB-CE1 4.29Å; V207-F238 HydrophobicContact CG1-CD1 3.74Å; V207-F238 HydrophobicContact CG1-CE1 3.9Å; V207-F238 HydrophobicContact CG1-CG 4.38Å; V207-F238 HydrophobicContact CG2-CE1 4.43Å; V207-F238 HydrophobicContact CG2-CZ 4.47Å; D233-F238 HydrophobicContact CB-CB 4.32Å; G236-F238 VanDerWaalsContact C-N 3.28Å; G236-F238 PolarHBondContact O-N 3.36Å; F238-A240 VanDerWaalsContact C-N 3.28Å; F238-A240 PolarHBondContact O-N 3.23Å; F238-K241 PolarHBondContact O-N 2.85Å; F238-K241 VanDerWaalsContact O-N 3.13Å; F238-I242 HydrophobicContact CD1-CG1 4.2Å; F238-I242 HydrophobicContact CE1-CG1 3.79Å; F238-I242 HydrophobicContact CE2-CD1 4.35Å; F238-I242 HydrophobicContact CE2-CG1 4.13Å; F238-I242 HydrophobicContact CZ-CD1 4.2Å; F238-I242 HydrophobicContact CZ-CG1 3.75Å; F238-I242 WeakPolarHBondContact O-CG1 3.47Å; F238-I242 PolarHBondContact O-N 3.48Å; F238-F244 HydrophobicContact CD1-CE2 4.42Å; F238-F244 HydrophobicContact CE1-CE2 4.12Å; F238-F244 HydrophobicContact CE1-CZ 4.21Å; F238-L290 HydrophobicContact CZ-CD2 4.3Å
239R92Very high93.2Very high44 Ų4439.7 Ų39.717%0.16622%0.218CC..Hα-helixtrans-63.1-33.7179.366.8-169.8-176.1-102.4-4.3113.1D233 G236 G243 F244 Q285D233-R239 PolarHBondContact O-NH1 3.4Å; D233-R239 WeakPolarHBondContact OD2-CB 3.24Å; D233-R239 VanDerWaalsContact OD2-CG 3.26Å; D233-R239 WeakPolarHBondContact OD2-CG 3.39Å; D233-R239 PolarHBondContact OD2-N 3.22Å; D233-R239 IonicContact OD2-NH1 3.1Å; G236-R239 VanDerWaalsContact O-CG 3.29Å; G236-R239 WeakPolarHBondContact O-CG 3.45Å; R239-G243 PolarHBondContact O-N 2.53Å; R239-F244 HydrophobicContact CB-CD2 3.77Å; R239-F244 HydrophobicContact CB-CE2 4.16Å; R239-Q285 VanDerWaalsContact CD-OE1 3.26Å
240A90.2Very high93.2Very high75 Ų7541.6 Ų41.662%0.6222%0.221SC*.Hα-helixtrans-66.7-40.9174.300000111.6G236 F238G236-A240 WeakPolarHBondContact O-CB 3.26Å; G236-A240 PolarHBondContact O-N 3.39Å; F238-A240 VanDerWaalsContact C-N 3.28Å; F238-A240 PolarHBondContact O-N 3.23Å
241K90Very high93Very high127 Ų12741.6 Ų41.655%0.55222%0.221SC*.Hα-helixtrans-68.1-39.9178.7-173.862.5173.7-179.40112.8L141 L146 D237 F238L141-K241 HydrophobicContact CD2-CG 4.49Å; L146-K241 HydrophobicContact CD1-CB 4.34Å; L146-K241 HydrophobicContact CD1-CG 4.11Å; L146-K241 HydrophobicContact CD2-CB 3.9Å; L146-K241 HydrophobicContact CD2-CG 4.15Å; D237-K241 WeakPolarHBondContact O-CB 3.43Å; D237-K241 PolarHBondContact O-N 2.94Å; F238-K241 PolarHBondContact O-N 2.85Å; F238-K241 VanDerWaalsContact O-N 3.13Å
242I89.7Confident93Very high12 Ų1241.6 Ų41.66%0.06222%0.221CC..Hα-helixtrans-75.8-31.4179.2-60.2-61.1000112L141 F238 F244 L365 L367L141-I242 HydrophobicContact CD1-CD1 3.78Å; L141-I242 HydrophobicContact CD2-CD1 4.39Å; F238-I242 HydrophobicContact CD1-CG1 4.2Å; F238-I242 HydrophobicContact CE1-CG1 3.79Å; F238-I242 HydrophobicContact CE2-CD1 4.35Å; F238-I242 HydrophobicContact CE2-CG1 4.13Å; F238-I242 HydrophobicContact CZ-CD1 4.2Å; F238-I242 HydrophobicContact CZ-CG1 3.75Å; F238-I242 WeakPolarHBondContact O-CG1 3.47Å; F238-I242 PolarHBondContact O-N 3.48Å; I242-F244 HydrophobicContact CB-CE1 4.28Å; I242-F244 HydrophobicContact CB-CE2 4.14Å; I242-F244 HydrophobicContact CB-CZ 3.95Å; I242-F244 HydrophobicContact CG1-CZ 4.37Å; I242-F244 HydrophobicContact CG2-CD1 3.92Å; I242-F244 HydrophobicContact CG2-CE1 3.38Å; I242-F244 HydrophobicContact CG2-CE2 4.12Å; I242-F244 HydrophobicContact CG2-CG 4.48Å; I242-F244 HydrophobicContact CG2-CZ 3.47Å; I242-F244 VanDerWaalsContact CG2-CZ 3.47Å; I242-L365 HydrophobicContact CG2-CD1 4.13Å; I242-L367 HydrophobicContact CG2-CD2 3.67Å
243G89.4Confident92.9Very high23 Ų2340.4 Ų40.424%0.23722%0.217CC..THydrogen-bonded Turntrans80.642.5175.900000114R239R239-G243 PolarHBondContact O-N 2.53Å
244F91.2Very high92.9Very high12 Ų1240.6 Ų40.65%0.05322%0.219CC..  trans-60.5141.3177.8-63.2-53.2000112.5C173 W209 F238 R239 I242 G287 L367C173-F244 HydrophobicContact CB-CE1 4.11Å; C173-F244 HydrophobicContact CB-CE2 3.84Å; C173-F244 HydrophobicContact CB-CZ 3.39Å; W209-F244 HydrophobicContact CH2-CD2 4.26Å; W209-F244 HydrophobicContact CH2-CE2 4.37Å; W209-F244 HydrophobicContact CZ3-CE2 4.36Å; F238-F244 HydrophobicContact CD1-CE2 4.42Å; F238-F244 HydrophobicContact CE1-CE2 4.12Å; F238-F244 HydrophobicContact CE1-CZ 4.21Å; R239-F244 HydrophobicContact CB-CD2 3.77Å; R239-F244 HydrophobicContact CB-CE2 4.16Å; I242-F244 HydrophobicContact CB-CE1 4.28Å; I242-F244 HydrophobicContact CB-CE2 4.14Å; I242-F244 HydrophobicContact CB-CZ 3.95Å; I242-F244 HydrophobicContact CG1-CZ 4.37Å; I242-F244 HydrophobicContact CG2-CD1 3.92Å; I242-F244 HydrophobicContact CG2-CE1 3.38Å; I242-F244 HydrophobicContact CG2-CE2 4.12Å; I242-F244 HydrophobicContact CG2-CG 4.48Å; I242-F244 HydrophobicContact CG2-CZ 3.47Å; I242-F244 VanDerWaalsContact CG2-CZ 3.47Å; F244-G287 WeakPolarHBondContact CD1-O 3.27Å; F244-L367 HydrophobicContact CD1-CD2 3.74Å; F244-L367 HydrophobicContact CE1-CD2 3.93Å
245K92.3Very high93Very high80 Ų8035.8 Ų35.835%0.34820%0.198SC..  trans-66.9149.3177.4-65.6169.9-176.6152.50111I286 L367K245-I286 PolarHBondContact O-N 3.43Å; K245-L367 PolarHBondContact NZ-O 2.94Å
246S92.3Very high93.1Very high58 Ų5832.7 Ų32.741%0.40618%0.176SC..BIsolated β-bridgetrans-137.7158179.8690000112.9R250 K284S246-R250 WeakPolarHBondContact O-CD 3.44Å; S246-K284 CarbonylContact C-O 3.23Å; S246-K284 WeakPolarHBondContact CA-O 3.32Å; S246-K284 WeakPolarHBondContact CB-O 3.38Å
247G93.3Very high93.3Very high4 Ų432.4 Ų32.44%0.04117%0.173CC..  trans140.5159.5173.100000113Q249 R250 V251 K284G247-Q249 PolarHBondContact O-OE1 3.27Å; G247-R250 VanDerWaalsContact O-CB 3.31Å; G247-R250 WeakPolarHBondContact O-CB 3.1Å; G247-R250 PolarHBondContact O-N 3.5Å; G247-V251 PolarHBondContact O-N 3.29Å; G247-V251 VanDerWaalsContact O-N 3.17Å; G247-K284 PolarHBondContact N-O 3.49Å
248L94.1Very high93.6Very high1 Ų128.9 Ų28.91%0.00516%0.155CC..Hα-helixtrans-71.1-39-178.9-59.3173.3000111.3A47 I51 L110 D111 R250 V251 W252 W280 K284A47-L248 HydrophobicContact CB-CD1 3.62Å; I51-L248 HydrophobicContact CD1-CB 3.96Å; I51-L248 HydrophobicContact CD1-CD1 4.17Å; I51-L248 HydrophobicContact CD1-CD2 4.13Å; I51-L248 HydrophobicContact CD1-CG 4.31Å; L110-L248 HydrophobicContact CD2-CD1 4.07Å; L110-L248 HydrophobicContact CG-CD1 4.31Å; D111-L248 VanDerWaalsContact OD1-CB 3.28Å; D111-L248 WeakPolarHBondContact OD1-CB 3.43Å; D111-L248 VanDerWaalsContact OD1-CG 3.31Å; D111-L248 WeakPolarHBondContact OD1-CG 3.46Å; D111-L248 PolarHBondContact OD1-N 2.86Å; D111-L248 PolarHBondContact OD2-N 3Å; L248-R250 PolarHBondContact O-N 2.76Å; L248-V251 PolarHBondContact O-N 2.87Å; L248-W252 WeakPolarHBondContact O-CB 3.27Å; L248-W252 PolarHBondContact O-N 3.48Å; L248-W280 HydrophobicContact CD2-CB 3.82Å; L248-W280 WeakPolarHBondContact CD2-O 3.22Å; L248-K284 HydrophobicContact CD2-CB 4.24Å
249Q94.7Very high93.7Very high49 Ų4930.4 Ų30.423%0.22916%0.161CC..Hα-helixtrans-56.1-18172.682.4-58.956.300115L107 V108 D111 G247L107-Q249 VanDerWaalsContact CB-CA 3.49Å; L107-Q249 HydrophobicContact CB-CB 3.69Å; V108-Q249 HydrophobicContact CG2-CB 3.99Å; V108-Q249 HydrophobicContact CG2-CG 4.07Å; D111-Q249 VanDerWaalsContact OD2-CB 3.29Å; D111-Q249 WeakPolarHBondContact OD2-CB 3.44Å; D111-Q249 WeakPolarHBondContact OD2-CG 3.49Å; D111-Q249 PolarHBondContact OD2-N 3.48Å; D111-Q249 PolarHBondContact OD2-NE2 3.27Å; D111-Q249 PolarHBondContact OD2-OE1 3.44Å; G247-Q249 PolarHBondContact O-OE1 3.27Å
250R94.7Very high93.9Very high75 Ų7528.3 Ų28.328%0.28315%0.154SC..Hα-helixtrans-99.7-44.6-175.2-92.9-170.9-159.5-69-1.1112.1S246 G247 L248 N256 I286 S369S246-R250 WeakPolarHBondContact O-CD 3.44Å; G247-R250 VanDerWaalsContact O-CB 3.31Å; G247-R250 WeakPolarHBondContact O-CB 3.1Å; G247-R250 PolarHBondContact O-N 3.5Å; L248-R250 PolarHBondContact O-N 2.76Å; R250-N256 PolarHBondContact O-ND2 3.04Å; R250-I286 HydrophobicContact CB-CD1 3.32Å; R250-I286 HydrophobicContact CB-CG1 4.07Å; R250-I286 HydrophobicContact CG-CD1 3.67Å; R250-S369 WeakPolarHBondContact CG-O 3.35Å; R250-S369 PolarHBondContact NH1-O 3.01Å
251V94.4Very high94.2Very high0 Ų024.8 Ų24.80%012%0.124CC..Hα-helixtrans-76.8-40177.6175.40000111.7W178 G247 L248 N256 W280 K284 I286 I371W178-V251 HydrophobicContact CE3-CG1 3.81Å; W178-V251 HydrophobicContact CH2-CG1 4.41Å; W178-V251 WeakPolarHBondContact CH2-O 3.46Å; W178-V251 HydrophobicContact CZ3-CG1 3.71Å; G247-V251 PolarHBondContact O-N 3.29Å; G247-V251 VanDerWaalsContact O-N 3.17Å; L248-V251 PolarHBondContact O-N 2.87Å; V251-N256 PolarHBondContact O-ND2 3.12Å; V251-W280 HydrophobicContact CG1-CE3 4.26Å; V251-W280 HydrophobicContact CG1-CZ3 3.76Å; V251-K284 VanDerWaalsContact CG2-C 3.5Å; V251-K284 HydrophobicContact CG2-CB 4.5Å; V251-K284 WeakPolarHBondContact CG2-O 3.47Å; V251-I286 HydrophobicContact CG2-CG1 4.23Å; V251-I371 HydrophobicContact CG1-CD1 4.43Å
252W95.5Very high94.4Very high0 Ų019.1 Ų19.10%010%0.101CC..SBendtrans-9815.5-177.9-67.4100.2000114I51 M54 F55 W103 L107 W178 L248 A254 P274 W280I51-W252 HydrophobicContact CD1-CB 4.23Å; I51-W252 HydrophobicContact CD1-CD2 4.45Å; I51-W252 HydrophobicContact CD1-CG 3.75Å; I51-W252 HydrophobicContact CG1-CD2 4.09Å; I51-W252 HydrophobicContact CG1-CG 3.88Å; I51-W252 HydrophobicContact CG2-CZ2 4.17Å; M54-W252 HydrophobicContact CB-CE3 3.91Å; M54-W252 HydrophobicContact CB-CZ3 4.26Å; F55-W252 HydrophobicContact CB-CH2 4.05Å; F55-W252 HydrophobicContact CB-CZ3 3.74Å; F55-W252 HydrophobicContact CD2-CH2 4.4Å; F55-W252 HydrophobicContact CD2-CZ3 4.06Å; F55-W252 HydrophobicContact CG-CZ3 4.42Å; W103-W252 PolarHBondContact NE1-O 3.36Å; L107-W252 HydrophobicContact CD1-CB 3.84Å; L107-W252 WeakPolarHBondContact CD1-O 3.47Å; L107-W252 HydrophobicContact CD2-CB 4.13Å; W178-W252 HydrophobicContact CH2-CD2 4.46Å; W178-W252 HydrophobicContact CH2-CE3 4.07Å; W178-W252 HydrophobicContact CH2-CH2 4.48Å; W178-W252 HydrophobicContact CH2-CZ3 4.06Å; W178-W252 HydrophobicContact CZ3-CD2 4.34Å; W178-W252 HydrophobicContact CZ3-CE3 4.26Å; W178-W252 HydrophobicContact CZ3-CH2 4.07Å; W178-W252 HydrophobicContact CZ3-CZ2 4.18Å; W178-W252 HydrophobicContact CZ3-CZ3 4.1Å; L248-W252 WeakPolarHBondContact O-CB 3.27Å; L248-W252 PolarHBondContact O-N 3.48Å; W252-A254 PolarHBondContact O-N 3.43Å; W252-P274 HydrophobicContact CH2-CG 4.2Å; W252-W280 HydrophobicContact CH2-CH2 4.42Å; W252-W280 HydrophobicContact CH2-CZ2 4.27Å; W252-W280 HydrophobicContact CZ2-CD2 4.02Å; W252-W280 AromaticContact CZ2-CE2 3.65Å; W252-W280 HydrophobicContact CZ2-CE3 4.17Å; W252-W280 AromaticContact CZ2-CH2 3.64Å; W252-W280 HydrophobicContact CZ2-CH2 3.64Å; W252-W280 AromaticContact CZ2-CZ2 3.48Å; W252-W280 HydrophobicContact CZ2-CZ2 3.48Å; W252-W280 VanDerWaalsContact CZ2-CZ2 3.48Å; W252-W280 AromaticContact CZ2-CZ3 3.99Å; W252-W280 HydrophobicContact CZ2-CZ3 3.99Å; W252-W280 AromaticContact NE1-CD2 3.67Å; W252-W280 AromaticContact NE1-CE3 3.47Å; W252-W280 AromaticContact NE1-CZ3 3.86Å
253A96.2Very high94.6Very high3 Ų319.3 Ų19.33%0.02510%0.101CC..  trans-53139.2175.100000110.9E255 N256 L257 R370A253-E255 WeakPolarHBondContact CB-OE2 3.37Å; A253-E255 PolarHBondContact O-N 3.41Å; A253-E255 VanDerWaalsContact O-N 3.14Å; A253-N256 WeakPolarHBondContact O-CB 3.08Å; A253-N256 PolarHBondContact O-N 3.31Å; A253-L257 PolarHBondContact O-N 3.3Å; A253-R370 HydrophobicContact CB-CG 4.21Å
254A96.8Very high94.8Very high3 Ų322.3 Ų22.33%0.02511%0.105CC..Hα-helixtrans-55.4-34.5178.400000111.1E100 W103 W252 N256 L257 D258E100-A254 HydrophobicContact CB-CB 4.41Å; E100-A254 HydrophobicContact CG-CB 4.1Å; W103-A254 HydrophobicContact CG-CB 4.21Å; W252-A254 PolarHBondContact O-N 3.43Å; A254-N256 VanDerWaalsContact C-N 3.27Å; A254-N256 PolarHBondContact O-N 2.99Å; A254-L257 CarbonylContact O-C 3.48Å; A254-L257 WeakPolarHBondContact O-CA 3.13Å; A254-L257 WeakPolarHBondContact O-CB 3.37Å; A254-L257 PolarHBondContact O-N 2.97Å; A254-D258 WeakPolarHBondContact O-CB 3.3Å; A254-D258 PolarHBondContact O-N 3.38Å
255E95.7Very high94.9Very high30 Ų3022.4 Ų22.414%0.1411%0.108CC..Hα-helixtrans-69.3-21.3-179.9-55.890.515300113.5R104 A253 F259 R370 S372R104-E255 IonicContact CZ-OE1 3.86Å; R104-E255 IonicContact NE-OE1 3.24Å; R104-E255 IonicContact NH2-OE1 3.97Å; R104-E255 PolarHBondContact NH2-OE1 3.32Å; A253-E255 WeakPolarHBondContact CB-OE2 3.37Å; A253-E255 PolarHBondContact O-N 3.41Å; A253-E255 VanDerWaalsContact O-N 3.14Å; E255-F259 WeakPolarHBondContact O-CB 3.3Å; E255-F259 PolarHBondContact O-N 2.98Å; E255-R370 IonicContact OE1-CZ 2.83Å; E255-R370 IonicContact OE1-NH1 2.76Å; E255-R370 PolarHBondContact OE1-NH1 2.95Å; E255-R370 IonicContact OE1-NH2 3.62Å; E255-R370 PolarHBondContact OE1-NH2 3.02Å; E255-R370 IonicContact OE2-CZ 3.41Å; E255-R370 IonicContact OE2-NE 2.69Å; E255-R370 IonicContact OE2-NH1 3.01Å; E255-R370 PolarHBondContact OE2-NH1 2.82Å; E255-R370 IonicContact OE2-NH2 3.58Å; E255-R370 PolarHBondContact OE2-NH2 3.21Å; E255-S372 WeakPolarHBondContact O-CB 3.47Å; E255-S372 PolarHBondContact O-OG 3.21Å
256N95.9Very high94.9Very high1 Ų121.3 Ų21.31%0.00510%0.104CC..Hα-helixtrans-75-39.4168.7-67.4-23.3000110.6W178 R250 V251 A253 A254 L260 R370 I371 S372W178-N256 HydrophobicContact CZ2-CB 4.03Å; R250-N256 PolarHBondContact O-ND2 3.04Å; V251-N256 PolarHBondContact O-ND2 3.12Å; A253-N256 WeakPolarHBondContact O-CB 3.08Å; A253-N256 PolarHBondContact O-N 3.31Å; A254-N256 VanDerWaalsContact C-N 3.27Å; A254-N256 PolarHBondContact O-N 2.99Å; N256-L260 VanDerWaalsContact O-CG 3.25Å; N256-L260 WeakPolarHBondContact O-CG 3.45Å; N256-L260 PolarHBondContact O-N 3.04Å; N256-R370 WeakPolarHBondContact OD1-CB 3.31Å; N256-I371 PolarHBondContact OD1-N 3.31Å; N256-S372 PolarHBondContact OD1-N 3.38Å; N256-S372 PolarHBondContact OD1-OG 3.39Å
257L96.8Very high94.7Very high0 Ų022.3 Ų22.30%010%0.102CC..Hα-helixtrans-69.8-39.6178.3-54.5-178.4000111.2M54 F55 V58 Y61 W103 W178 A253 A254 L260 G261M54-L257 VanDerWaalsContact O-CD1 3.29Å; M54-L257 WeakPolarHBondContact O-CD1 3.41Å; F55-L257 HydrophobicContact CD2-CD2 4.21Å; V58-L257 HydrophobicContact CG2-CB 4.2Å; V58-L257 HydrophobicContact CG2-CD2 3.83Å; Y61-L257 HydrophobicContact CD2-CB 4.02Å; Y61-L257 HydrophobicContact CE2-CB 4.02Å; W103-L257 HydrophobicContact CH2-CD1 3.94Å; W103-L257 HydrophobicContact CZ2-CD1 3.43Å; W103-L257 VanDerWaalsContact CZ2-CD1 3.43Å; W178-L257 HydrophobicContact CH2-CD2 4.34Å; A253-L257 PolarHBondContact O-N 3.3Å; A254-L257 CarbonylContact O-C 3.48Å; A254-L257 WeakPolarHBondContact O-CA 3.13Å; A254-L257 WeakPolarHBondContact O-CB 3.37Å; A254-L257 PolarHBondContact O-N 2.97Å; L257-L260 PolarHBondContact O-N 3.05Å; L257-G261 PolarHBondContact O-N 2.85Å
258D96.8Very high94.5Very high9 Ų929.6 Ų29.65%0.04814%0.135CC..Hα-helixtrans-56.8-52.6171.9-175.89.9000110.7Y61 Y65 R73 A254 L260 G261 C262Y61-D258 HydrophobicContact CD1-CB 3.93Å; Y61-D258 HydrophobicContact CD2-CB 4.21Å; Y61-D258 HydrophobicContact CE1-CB 3.75Å; Y61-D258 HydrophobicContact CE2-CB 4.05Å; Y61-D258 HydrophobicContact CG-CB 4.16Å; Y65-D258 WeakPolarHBondContact CE2-OD1 3.32Å; Y65-D258 PolarHBondContact OH-OD1 2.92Å; R73-D258 WeakPolarHBondContact CD-OD2 3.32Å; R73-D258 IonicContact CZ-OD2 2.65Å; R73-D258 IonicContact NE-OD2 3.66Å; R73-D258 IonicContact NH1-OD2 3.83Å; R73-D258 PolarHBondContact NH1-OD2 3.23Å; R73-D258 VanDerWaalsContact NH1-OD2 3.1Å; A254-D258 WeakPolarHBondContact O-CB 3.3Å; A254-D258 PolarHBondContact O-N 3.38Å; D258-L260 VanDerWaalsContact C-N 3.33Å; D258-L260 PolarHBondContact O-N 2.69Å; D258-G261 PolarHBondContact O-N 2.97Å; D258-G261 VanDerWaalsContact O-N 3.12Å; D258-C262 WeakPolarHBondContact O-CB 3.49Å; D258-C262 PolarHBondContact O-N 3.06Å
259F95.4Very high94.1Very high32 Ų3236.1 Ų36.114%0.1416%0.159CC..Hα-helixtrans-56.3-45.7175.7172.9-107.2000112.5T181 W185 E255 Q263 L374T181-F259 HydrophobicContact CG2-CD1 4.49Å; T181-F259 HydrophobicContact CG2-CE1 3.75Å; T181-F259 HydrophobicContact CG2-CZ 4.1Å; W185-F259 HydrophobicContact CB-CZ 4.2Å; W185-F259 HydrophobicContact CG-CE2 4.46Å; W185-F259 HydrophobicContact CG-CZ 4.36Å; E255-F259 WeakPolarHBondContact O-CB 3.3Å; E255-F259 PolarHBondContact O-N 2.98Å; F259-Q263 HydrophobicContact CD2-CG 4.17Å; F259-Q263 HydrophobicContact CE1-CG 4.31Å; F259-Q263 HydrophobicContact CE2-CG 3.84Å; F259-Q263 HydrophobicContact CZ-CG 3.92Å; F259-Q263 WeakPolarHBondContact O-CB 3.31Å; F259-Q263 WeakPolarHBondContact O-CG 3.36Å; F259-Q263 PolarHBondContact O-N 3.45Å; F259-L374 HydrophobicContact CZ-CD1 4.17Å
260L96.1Very high93.6Very high1 Ų137.9 Ų37.91%0.00518%0.177CC..Hα-helixtrans-62.7-46.6175.7-69.1176.2000111.3F55 V58 W178 P179 T181 N256 L257 D258 C262 Q263 R264 I271F55-L260 HydrophobicContact CE2-CD1 3.65Å; F55-L260 HydrophobicContact CZ-CD1 4.15Å; V58-L260 HydrophobicContact CG1-CB 3.98Å; V58-L260 HydrophobicContact CG2-CB 3.84Å; V58-L260 HydrophobicContact CG2-CD1 3.95Å; W178-L260 HydrophobicContact CZ2-CD1 3.76Å; P179-L260 HydrophobicContact CB-CD2 3.91Å; P179-L260 HydrophobicContact CG-CD1 4.04Å; P179-L260 HydrophobicContact CG-CD2 4.19Å; T181-L260 HydrophobicContact CG2-CD2 4.07Å; T181-L260 VanDerWaalsContact OG1-CD2 3.29Å; T181-L260 WeakPolarHBondContact OG1-CD2 3.48Å; N256-L260 VanDerWaalsContact O-CG 3.25Å; N256-L260 WeakPolarHBondContact O-CG 3.45Å; N256-L260 PolarHBondContact O-N 3.04Å; L257-L260 PolarHBondContact O-N 3.05Å; D258-L260 VanDerWaalsContact C-N 3.33Å; D258-L260 PolarHBondContact O-N 2.69Å; L260-C262 PolarHBondContact O-N 3.42Å; L260-Q263 PolarHBondContact O-N 3.21Å; L260-R264 PolarHBondContact O-N 3.03Å; L260-I271 HydrophobicContact CB-CD1 3.73Å; L260-I271 HydrophobicContact CD1-CG2 4.46Å; L260-I271 HydrophobicContact CD2-CD1 4.07Å; L260-I271 HydrophobicContact CD2-CG2 4.1Å; L260-I271 HydrophobicContact CG-CD1 4.47Å; L260-I271 WeakPolarHBondContact O-CD1 3.42Å
261G96.4Very high93.4Very high0 Ų035.3 Ų35.30%017%0.169CC..Hα-helixtrans-58.6-46.8178.500000112.3A62 L257 D258 Q263 R264 S265A62-G261 WeakPolarHBondContact CA-O 3.3Å; L257-G261 PolarHBondContact O-N 2.85Å; D258-G261 PolarHBondContact O-N 2.97Å; D258-G261 VanDerWaalsContact O-N 3.12Å; G261-Q263 PolarHBondContact O-N 2.95Å; G261-R264 PolarHBondContact O-N 3.35Å; G261-S265 PolarHBondContact O-N 3.47Å
262C95Very high93.2Very high9 Ų939 Ų396%0.06119%0.188CC..Hα-helixtrans-57.6-48.4174.1-175.40000111.5Y65 D258 L260 R264 S265 M266Y65-C262 HydrophobicContact CD2-CB 3.88Å; Y65-C262 HydrophobicContact CE2-CB 3.66Å; Y65-C262 HydrophobicContact CG-CB 4.48Å; D258-C262 WeakPolarHBondContact O-CB 3.49Å; D258-C262 PolarHBondContact O-N 3.06Å; L260-C262 PolarHBondContact O-N 3.42Å; C262-R264 VanDerWaalsContact C-N 3.34Å; C262-R264 PolarHBondContact O-N 3.14Å; C262-S265 PolarHBondContact O-N 3.29Å; C262-M266 WeakPolarHBondContact O-CB 3.33Å; C262-M266 WeakPolarHBondContact O-CG 3.48Å; C262-M266 PolarHBondContact O-N 3.47Å
263Q93.6Very high93Very high15 Ų1543.4 Ų43.47%0.0722%0.217CC..Hα-helixtrans-64.6-37.3-179.1-71.5-68.6-54.100112.8T181 F259 L260 G261 H267T181-Q263 HydrophobicContact CG2-CB 3.46Å; T181-Q263 VanDerWaalsContact CG2-CB 3.46Å; T181-Q263 HydrophobicContact CG2-CG 3.45Å; T181-Q263 VanDerWaalsContact CG2-CG 3.45Å; F259-Q263 HydrophobicContact CD2-CG 4.17Å; F259-Q263 HydrophobicContact CE1-CG 4.31Å; F259-Q263 HydrophobicContact CE2-CG 3.84Å; F259-Q263 HydrophobicContact CZ-CG 3.92Å; F259-Q263 WeakPolarHBondContact O-CB 3.31Å; F259-Q263 WeakPolarHBondContact O-CG 3.36Å; F259-Q263 PolarHBondContact O-N 3.45Å; L260-Q263 PolarHBondContact O-N 3.21Å; G261-Q263 PolarHBondContact O-N 2.95Å; Q263-H267 WeakPolarHBondContact O-CB 3.4Å; Q263-H267 PolarHBondContact O-N 2.88Å; Q263-H267 PolarHBondContact OE1-CD2 3.47Å
264R94.3Very high92.8Very high87 Ų8743.7 Ų43.733%0.32822%0.219SC..Hα-helixtrans-62.6-48.4172.8173.7176167.4-1574.2111.4D59 A62 L260 G261 C262 H268 I271D59-R264 IonicContact OD1-CZ 3.6Å; D59-R264 IonicContact OD1-NH1 3.94Å; D59-R264 PolarHBondContact OD1-NH1 3.2Å; D59-R264 IonicContact OD1-NH2 3.89Å; A62-R264 HydrophobicContact CB-CB 4.32Å; A62-R264 HydrophobicContact CB-CG 4.22Å; L260-R264 PolarHBondContact O-N 3.03Å; G261-R264 PolarHBondContact O-N 3.35Å; C262-R264 VanDerWaalsContact C-N 3.34Å; C262-R264 PolarHBondContact O-N 3.14Å; R264-H268 VanDerWaalsContact O-CA 3.3Å; R264-H268 WeakPolarHBondContact O-CA 3.41Å; R264-H268 PolarHBondContact O-N 3.31Å; R264-I271 HydrophobicContact CB-CD1 3.73Å; R264-I271 HydrophobicContact CB-CG1 4.09Å
265S93.7Very high92.4Very high14 Ų1444.8 Ų44.810%0.09823%0.226CC..Hα-helixtrans-61.9-48179.9178.50000111.3E66 G261 C262 H267 H268E66-S265 WeakPolarHBondContact CA-OG 3.47Å; E66-S265 PolarHBondContact N-OG 2.98Å; G261-S265 PolarHBondContact O-N 3.47Å; C262-S265 PolarHBondContact O-N 3.29Å; S265-H267 PolarHBondContact O-N 3.25Å; S265-H268 PolarHBondContact O-CE1 3.07Å
266M91.2Very high91.7Very high57 Ų5747.8 Ų47.828%0.28125%0.246SC..Hα-helixtrans-62.6-39.9-178.1-72.4172.273.600114.6K71 C262K71-M266 HydrophobicContact CB-CE 4.19Å; K71-M266 HydrophobicContact CB-CG 3.83Å; K71-M266 HydrophobicContact CB-SD 4.31Å; K71-M266 HydrophobicContact CG-CG 4.16Å; K71-M266 WeakPolarHBondContact O-CE 3.36Å; C262-M266 WeakPolarHBondContact O-CB 3.33Å; C262-M266 WeakPolarHBondContact O-CG 3.48Å; C262-M266 PolarHBondContact O-N 3.47Å
267H88.8Confident91.2Very high78 Ų7854.9 Ų54.936%0.36128%0.284SS..Hα-helixtrans-107.9-5-170.1-67.2-61.4000113.7Q263 S265 R269Q263-H267 WeakPolarHBondContact O-CB 3.4Å; Q263-H267 PolarHBondContact O-N 2.88Å; Q263-H267 PolarHBondContact OE1-CD2 3.47Å; S265-H267 PolarHBondContact O-N 3.25Å; H267-R269 HydrophobicContact CB-CB 4.48Å; H267-R269 HydrophobicContact CB-CG 4.07Å; H267-R269 WeakPolarHBondContact O-CG 3.19Å; H267-R269 PolarHBondContact O-N 3.42Å; H267-R269 VanDerWaalsContact O-N 3.17Å
268H89.2Confident90.8Very high157 Ų15755.3 Ų55.373%0.72729%0.286SS*.THydrogen-bonded Turntrans49.835.8-173.1-54.1-66.4000112.9R264 S265R264-H268 VanDerWaalsContact O-CA 3.3Å; R264-H268 WeakPolarHBondContact O-CA 3.41Å; R264-H268 PolarHBondContact O-N 3.31Å; S265-H268 PolarHBondContact O-CE1 3.07Å
269R84.4Confident90.5Very high138 Ų13857.7 Ų57.752%0.52130%0.299SS..  trans-105.9139.8178.8-66.6-178.2-170.2-154.82.7109.7H267H267-R269 HydrophobicContact CB-CB 4.48Å; H267-R269 HydrophobicContact CB-CG 4.07Å; H267-R269 WeakPolarHBondContact O-CG 3.19Å; H267-R269 PolarHBondContact O-N 3.42Å; H267-R269 VanDerWaalsContact O-N 3.17Å
270S84.1Confident90.3Very high87 Ų8756.1 Ų56.161%0.60829%0.292SS*.  trans-63.3147.1170.957.50000111.1
271I91.8Very high89.9Confident21 Ų2157 Ų5711%0.10830%0.299CS..  trans-111.9115.1171.8-60.6-173.9000106.4F55 V58 P179 L260 R264F55-I271 HydrophobicContact CZ-CG2 3.84Å; V58-I271 HydrophobicContact CG1-CD1 4.23Å; P179-I271 HydrophobicContact CB-CG2 3.65Å; P179-I271 HydrophobicContact CG-CG2 3.59Å; L260-I271 HydrophobicContact CB-CD1 3.73Å; L260-I271 HydrophobicContact CD1-CG2 4.46Å; L260-I271 HydrophobicContact CD2-CD1 4.07Å; L260-I271 HydrophobicContact CD2-CG2 4.1Å; L260-I271 HydrophobicContact CG-CD1 4.47Å; L260-I271 WeakPolarHBondContact O-CD1 3.42Å; R264-I271 HydrophobicContact CB-CD1 3.73Å; R264-I271 HydrophobicContact CB-CG1 4.09Å
272N88.6Confident89.5Confident76 Ų7662.9 Ų62.941%0.40633%0.326SS..PPolyproline II helixtrans-68.8128.5179.8-67-29000108.8P179 Q221P179-N272 WeakPolarHBondContact CG-O 3.49Å; Q221-N272 PolarHBondContact OE1-ND2 2.85Å
273P91.6Very high89.3Confident93 Ų9364 Ų6460%0.60433%0.329SS*.PPolyproline II helixtrans-64.6151.8177.527.7-34.2000110.9F55F55-P273 HydrophobicContact CD1-CB 3.81Å; F55-P273 VanDerWaalsContact CE1-CA 3.47Å; F55-P273 HydrophobicContact CE1-CB 3.78Å
274P91.7Very high89.3Confident10 Ų1065 Ų657%0.06533%0.333CS..PPolyproline II helixtrans-57157.7169.7-25.634.4000112.5F55 W178 W252 T276 W280F55-P274 HydrophobicContact CD2-CG 3.8Å; F55-P274 HydrophobicContact CE2-CG 3.92Å; F55-P274 HydrophobicContact CG-CG 4.39Å; W178-P274 HydrophobicContact CE3-CG 4.02Å; W178-P274 HydrophobicContact CZ3-CG 4Å; W252-P274 HydrophobicContact CH2-CG 4.2Å; P274-T276 PolarHBondContact O-N 2.89Å; P274-W280 HydrophobicContact CB-CH2 3.64Å; P274-W280 HydrophobicContact CB-CZ2 3.55Å; P274-W280 HydrophobicContact CG-CH2 4.17Å; P274-W280 HydrophobicContact CG-CZ2 4.38Å
275P88.4Confident89.3Confident25 Ų2562.9 Ų62.916%0.16233%0.327CS..PPolyproline II helixtrans-61.5133.9177.3-19.532.1000111.7E214 N277 L278E214-P275 HydrophobicContact CG-CB 4.46Å; E214-P275 HydrophobicContact CG-CG 3.76Å; E214-P275 WeakPolarHBondContact OE1-CG 3.47Å; E214-P275 VanDerWaalsContact OE2-CG 3.29Å; E214-P275 WeakPolarHBondContact OE2-CG 3.47Å; P275-N277 VanDerWaalsContact C-N 3.34Å; P275-N277 PolarHBondContact O-N 2.97Å; P275-L278 HydrophobicContact CB-CB 4.36Å
276T82.8Confident89Confident94 Ų9462.4 Ų62.458%0.57732%0.323SS*.THydrogen-bonded Turntrans-74.9-23.7-176.156.60000113.7P274P274-T276 PolarHBondContact O-N 2.89Å
277N83.7Confident89.2Confident149 Ų14959.7 Ų59.780%0.79731%0.31SS*.THydrogen-bonded Turntrans-103.719.3-175.1-59.9-15.2000112.4P275P275-N277 VanDerWaalsContact C-N 3.34Å; P275-N277 PolarHBondContact O-N 2.97Å
278L88.9Confident89.4Confident9 Ų956.1 Ų56.15%0.04729%0.294CS..  trans-80.1134.9177.3-168.771.3000109.9Y177 P211 P275 W280 W283Y177-L278 HydrophobicContact CD2-CD2 4.04Å; Y177-L278 HydrophobicContact CG-CD2 3.8Å; P211-L278 HydrophobicContact CG-CD1 3.4Å; P275-L278 HydrophobicContact CB-CB 4.36Å; L278-W280 HydrophobicContact CB-CZ2 4.49Å; L278-W280 HydrophobicContact CD2-CD2 4.11Å; L278-W280 HydrophobicContact CD2-CE3 4.2Å; L278-W280 HydrophobicContact CD2-CH2 3.96Å; L278-W280 HydrophobicContact CD2-CZ2 3.83Å; L278-W280 HydrophobicContact CD2-CZ3 4.13Å; L278-W280 PolarHBondContact O-N 3.47Å; L278-W283 HydrophobicContact CD1-CB 4.27Å; L278-W283 VanDerWaalsContact CD1-CD1 3.44Å; L278-W283 HydrophobicContact CD1-CG 3.86Å; L278-W283 HydrophobicContact CD2-CB 3.73Å; L278-W283 HydrophobicContact CD2-CG 4.23Å; L278-W283 HydrophobicContact CG-CB 4.01Å; L278-W283 HydrophobicContact CG-CG 4.1Å
279N91Very high89.8Confident59 Ų5948.7 Ų48.732%0.31626%0.26SS..  trans-78.598.2169.1-175.41000110.3E48 S281 E282 W283E48-N279 WeakPolarHBondContact CG-OD1 3.36Å; E48-N279 WeakPolarHBondContact O-CA 3.35Å; N279-S281 VanDerWaalsContact CG-OG 3.26Å; N279-S281 PolarHBondContact ND2-OG 3.4Å; N279-S281 PolarHBondContact O-N 3.35Å; N279-S281 WeakPolarHBondContact OD1-CB 3.28Å; N279-S281 PolarHBondContact OD1-N 3.49Å; N279-S281 VanDerWaalsContact OD1-N 3.11Å; N279-S281 PolarHBondContact OD1-OG 2.91Å; N279-E282 PolarHBondContact O-N 2.99Å; N279-W283 VanDerWaalsContact O-CD1 3.31Å; N279-W283 PolarHBondContact O-N 3.34Å; N279-W283 VanDerWaalsContact O-N 3.1Å
280W92Very high90.3Very high0 Ų042.1 Ų42.10%024%0.235CC..THydrogen-bonded Turntrans-71.4-12.4-178-63.389.4000113.7A47 E48 I51 Y177 W178 L248 V251 W252 P274 L278 E282 K284A47-W280 WeakPolarHBondContact O-CB 3.41Å; E48-W280 PolarHBondContact O-N 3.35Å; I51-W280 HydrophobicContact CG2-CB 3.96Å; I51-W280 HydrophobicContact CG2-CD2 4.19Å; I51-W280 HydrophobicContact CG2-CG 3.6Å; Y177-W280 HydrophobicContact CD2-CH2 4.24Å; Y177-W280 AromaticContact CD2-CZ3 3.89Å; Y177-W280 HydrophobicContact CD2-CZ3 3.89Å; Y177-W280 HydrophobicContact CE2-CZ3 4.23Å; W178-W280 HydrophobicContact CE3-CH2 4.11Å; W178-W280 HydrophobicContact CE3-CZ3 4.29Å; W178-W280 HydrophobicContact CZ3-CH2 4.2Å; W178-W280 HydrophobicContact CZ3-CZ3 4.38Å; L248-W280 HydrophobicContact CD2-CB 3.82Å; L248-W280 WeakPolarHBondContact CD2-O 3.22Å; V251-W280 HydrophobicContact CG1-CE3 4.26Å; V251-W280 HydrophobicContact CG1-CZ3 3.76Å; W252-W280 HydrophobicContact CH2-CH2 4.42Å; W252-W280 HydrophobicContact CH2-CZ2 4.27Å; W252-W280 HydrophobicContact CZ2-CD2 4.02Å; W252-W280 AromaticContact CZ2-CE2 3.65Å; W252-W280 HydrophobicContact CZ2-CE3 4.17Å; W252-W280 AromaticContact CZ2-CH2 3.64Å; W252-W280 HydrophobicContact CZ2-CH2 3.64Å; W252-W280 AromaticContact CZ2-CZ2 3.48Å; W252-W280 HydrophobicContact CZ2-CZ2 3.48Å; W252-W280 VanDerWaalsContact CZ2-CZ2 3.48Å; W252-W280 AromaticContact CZ2-CZ3 3.99Å; W252-W280 HydrophobicContact CZ2-CZ3 3.99Å; W252-W280 AromaticContact NE1-CD2 3.67Å; W252-W280 AromaticContact NE1-CE3 3.47Å; W252-W280 AromaticContact NE1-CZ3 3.86Å; P274-W280 HydrophobicContact CB-CH2 3.64Å; P274-W280 HydrophobicContact CB-CZ2 3.55Å; P274-W280 HydrophobicContact CG-CH2 4.17Å; P274-W280 HydrophobicContact CG-CZ2 4.38Å; L278-W280 HydrophobicContact CB-CZ2 4.49Å; L278-W280 HydrophobicContact CD2-CD2 4.11Å; L278-W280 HydrophobicContact CD2-CE3 4.2Å; L278-W280 HydrophobicContact CD2-CH2 3.96Å; L278-W280 HydrophobicContact CD2-CZ2 3.83Å; L278-W280 HydrophobicContact CD2-CZ3 4.13Å; L278-W280 PolarHBondContact O-N 3.47Å; W280-E282 PolarHBondContact O-N 2.85Å; W280-K284 WeakPolarHBondContact O-CB 3.46Å
281S85.7Confident90.8Very high20 Ų2038 Ų3814%0.1421%0.206CC..THydrogen-bonded Turntrans-66.5-30.7171.467.30000111.7N279 K284N279-S281 VanDerWaalsContact CG-OG 3.26Å; N279-S281 PolarHBondContact ND2-OG 3.4Å; N279-S281 PolarHBondContact O-N 3.35Å; N279-S281 WeakPolarHBondContact OD1-CB 3.28Å; N279-S281 PolarHBondContact OD1-N 3.49Å; N279-S281 VanDerWaalsContact OD1-N 3.11Å; N279-S281 PolarHBondContact OD1-OG 2.91Å; S281-K284 WeakPolarHBondContact O-CD 3.29Å; S281-K284 WeakPolarHBondContact O-CE 3.47Å; S281-K284 PolarHBondContact O-NZ 3.4Å
282E88.6Confident90.9Very high122 Ų12237 Ų3757%0.5720%0.201SC*.THydrogen-bonded Turntrans-87-45.4174.6-174-176.1-176.300111.5N279 W280 K284N279-E282 PolarHBondContact O-N 2.99Å; W280-E282 PolarHBondContact O-N 2.85Å; E282-K284 PolarHBondContact O-N 2.96Å
283W92Very high91.2Very high34 Ų3433.5 Ų33.513%0.12918%0.183CC..  trans-101.373.7-170.4-60.1102.9000112.8Y177 G210 P211 L278 N279Y177-W283 HydrophobicContact CD1-CB 4.09Å; Y177-W283 HydrophobicContact CD1-CD2 4.33Å; Y177-W283 HydrophobicContact CD1-CE3 4.03Å; Y177-W283 HydrophobicContact CD1-CG 4.39Å; Y177-W283 HydrophobicContact CD2-CB 4.46Å; Y177-W283 HydrophobicContact CE1-CB 3.87Å; Y177-W283 HydrophobicContact CE1-CD2 4.15Å; Y177-W283 AromaticContact CE1-CE3 3.53Å; Y177-W283 HydrophobicContact CE1-CE3 3.53Å; Y177-W283 HydrophobicContact CE1-CG 4.32Å; Y177-W283 HydrophobicContact CE1-CZ3 4.42Å; Y177-W283 HydrophobicContact CE2-CB 4.25Å; Y177-W283 WeakPolarHBondContact CE2-O 3.4Å; Y177-W283 HydrophobicContact CG-CB 4.36Å; G210-W283 VanDerWaalsContact CA-CZ3 3.43Å; P211-W283 HydrophobicContact CG-CD2 4.48Å; P211-W283 HydrophobicContact CG-CZ2 4.13Å; L278-W283 HydrophobicContact CD1-CB 4.27Å; L278-W283 VanDerWaalsContact CD1-CD1 3.44Å; L278-W283 HydrophobicContact CD1-CG 3.86Å; L278-W283 HydrophobicContact CD2-CB 3.73Å; L278-W283 HydrophobicContact CD2-CG 4.23Å; L278-W283 HydrophobicContact CG-CB 4.01Å; L278-W283 HydrophobicContact CG-CG 4.1Å; N279-W283 VanDerWaalsContact O-CD1 3.31Å; N279-W283 PolarHBondContact O-N 3.34Å; N279-W283 VanDerWaalsContact O-N 3.1Å
284K93.3Very high91.2Very high35 Ų3533.1 Ų33.115%0.15217%0.173CC..  trans-129.728.2-174.362.9-166.4-179.3-159.10115.2S246 G247 L248 V251 W280 S281 E282S246-K284 CarbonylContact C-O 3.23Å; S246-K284 WeakPolarHBondContact CA-O 3.32Å; S246-K284 WeakPolarHBondContact CB-O 3.38Å; G247-K284 PolarHBondContact N-O 3.49Å; L248-K284 HydrophobicContact CD2-CB 4.24Å; V251-K284 VanDerWaalsContact CG2-C 3.5Å; V251-K284 HydrophobicContact CG2-CB 4.5Å; V251-K284 WeakPolarHBondContact CG2-O 3.47Å; W280-K284 WeakPolarHBondContact O-CB 3.46Å; S281-K284 WeakPolarHBondContact O-CD 3.29Å; S281-K284 WeakPolarHBondContact O-CE 3.47Å; S281-K284 PolarHBondContact O-NZ 3.4Å; E282-K284 PolarHBondContact O-N 2.96Å
285Q92.8Very high91.2Very high42 Ų4233.2 Ų33.220%0.19617%0.174CC..BIsolated β-bridgetrans-99.2145.1-179.2-78.8172.7-34.900111.7Y177 W209 R239Y177-Q285 PolarHBondContact OH-N 2.93Å; Y177-Q285 PolarHBondContact OH-O 2.93Å; Y177-Q285 VanDerWaalsContact OH-O 3.08Å; W209-Q285 HydrophobicContact CZ2-CB 4.15Å; R239-Q285 VanDerWaalsContact CD-OE1 3.26Å
286I89.2Confident91.2Very high4 Ų433.9 Ų33.92%0.02118%0.177CC..  trans-93.8-37.7-175.4-70.6158.3000113.5P175 K245 R250 V251 S369 R370 I371P175-I286 WeakPolarHBondContact CD-O 3.46Å; K245-I286 PolarHBondContact O-N 3.43Å; R250-I286 HydrophobicContact CB-CD1 3.32Å; R250-I286 HydrophobicContact CB-CG1 4.07Å; R250-I286 HydrophobicContact CG-CD1 3.67Å; V251-I286 HydrophobicContact CG2-CG1 4.23Å; I286-S369 WeakPolarHBondContact CD1-O 3.39Å; I286-R370 VanDerWaalsContact CG2-O 3.32Å; I286-R370 WeakPolarHBondContact CG2-O 3.17Å; I286-I371 HydrophobicContact CB-CG1 4.23Å; I286-I371 HydrophobicContact CG1-CG1 4.19Å; I286-I371 HydrophobicContact CG2-CB 4.41Å; I286-I371 HydrophobicContact CG2-CG1 3.76Å
287G93.7Very high91.2Very high0 Ų034.5 Ų34.50%018%0.176CC..  trans92.3-149.2-170.200000114.2C173 W209 F244C173-G287 WeakPolarHBondContact O-CA 3.42Å; W209-G287 VanDerWaalsContact CH2-CA 3.45Å; F244-G287 WeakPolarHBondContact CD1-O 3.27Å
288G94.7Very high91.4Very high3 Ų328.4 Ų28.43%0.03114%0.142CC..EExtended strand (participates in β ladder)trans166.9-169.7-171.100000112.4C173 H366 S368C173-G288 WeakPolarHBondContact CA-O 3.48Å; C173-G288 VanDerWaalsContact CB-O 3.28Å; C173-G288 WeakPolarHBondContact CB-O 3.4Å; C173-G288 PolarHBondContact N-O 3.34Å; C173-G288 PolarHBondContact O-N 3.48Å; G288-H366 CarbonylContact C-O 3.41Å; G288-H366 WeakPolarHBondContact CA-O 3.21Å; G288-S368 WeakPolarHBondContact CA-OG 3.26Å
289E96Very high91.3Very high1 Ų130.7 Ų30.71%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-138.4148.6178.4-66.1176.8117.300110.2V171 I172 R186 H366 M375V171-E289 WeakPolarHBondContact O-CA 3.38Å; I172-E289 HydrophobicContact CG2-CG 4.37Å; R186-E289 IonicContact CZ-OE1 2.99Å; R186-E289 VanDerWaalsContact CZ-OE1 3.23Å; R186-E289 IonicContact CZ-OE2 2.7Å; R186-E289 IonicContact NE-OE1 3Å; R186-E289 PolarHBondContact NE-OE1 3.08Å; R186-E289 IonicContact NH2-OE1 3.67Å; R186-E289 PolarHBondContact NH2-OE1 2.86Å; R186-E289 IonicContact NH2-OE2 2.83Å; R186-E289 PolarHBondContact NH2-OE2 2.91Å; E289-H366 PolarHBondContact N-O 2.95Å; E289-H366 PolarHBondContact O-N 2.86Å; E289-M375 HydrophobicContact CB-CB 4.37Å; E289-M375 HydrophobicContact CB-CE 3.72Å; E289-M375 VanDerWaalsContact OE2-CB 3.24Å; E289-M375 WeakPolarHBondContact OE2-CB 3.36Å; E289-M375 PolarHBondContact OE2-N 3.49Å
290L94.7Very high90.8Very high0 Ų028.4 Ų28.40%014%0.143CC..EExtended strand (participates in β ladder)trans-145.3151.3176.961.5152.6000111.8V171 C173 F238 L292 A364 L365V171-L290 HydrophobicContact CB-CD2 3.74Å; V171-L290 HydrophobicContact CB-CG 3.83Å; V171-L290 HydrophobicContact CG1-CD2 4.07Å; V171-L290 HydrophobicContact CG2-CG 4.32Å; V171-L290 PolarHBondContact N-O 3.48Å; V171-L290 PolarHBondContact O-N 3.17Å; C173-L290 WeakPolarHBondContact SG-CD2 3.14Å; F238-L290 HydrophobicContact CZ-CD2 4.3Å; L290-L292 HydrophobicContact CD1-CD1 3.86Å; L290-L292 HydrophobicContact CD1-CD2 3.57Å; L290-L292 HydrophobicContact CD1-CG 3.64Å; L290-L292 HydrophobicContact CG-CG 4.39Å; L290-A364 CarbonylContact C-O 3.56Å; L290-A364 WeakPolarHBondContact CA-O 3.42Å; L290-A364 WeakPolarHBondContact CB-O 3.48Å; L290-L365 HydrophobicContact CB-CD1 4Å
291V95.1Very high90.4Very high0 Ų034 Ų340%017%0.169CC..EExtended strand (participates in β ladder)trans-113.1118.5171.8-176.40000107.9C168 V170 V362 C363 A364 M375 I380 A383C168-V291 HydrophobicContact CB-CG1 4.03Å; V170-V291 HydrophobicContact CG2-CG2 4.33Å; V291-V362 CarbonylContact O-C 3.6Å; V291-C363 HydrophobicContact CB-CB 4.29Å; V291-C363 HydrophobicContact CG1-CB 4.16Å; V291-C363 PolarHBondContact O-N 2.86Å; V291-A364 HydrophobicContact CB-CB 4.11Å; V291-A364 HydrophobicContact CG2-CB 4.04Å; V291-A364 PolarHBondContact N-O 3.32Å; V291-A364 PolarHBondContact O-N 3.08Å; V291-M375 HydrophobicContact CG2-CE 4.19Å; V291-I380 HydrophobicContact CG2-CG1 4.48Å; V291-I380 HydrophobicContact CG2-CG2 4.48Å; V291-A383 HydrophobicContact CB-CB 4.15Å; V291-A383 HydrophobicContact CG1-CB 3.97Å; V291-A383 HydrophobicContact CG2-CB 4.14Å
292L95.2Very high90.1Very high0 Ų039.4 Ų39.40%019%0.19CC..EExtended strand (participates in β ladder)trans-106.6141.5-179.3-65.8178.6000110.1L141 L143 L159 V163 C168 L169 V171 L290 V360 K361 V362L141-L292 HydrophobicContact CD1-CD2 4.16Å; L143-L292 HydrophobicContact CD1-CD1 4.13Å; L143-L292 HydrophobicContact CD2-CD1 4.45Å; L159-L292 HydrophobicContact CD1-CD1 4.35Å; V163-L292 HydrophobicContact CG2-CB 3.85Å; V163-L292 HydrophobicContact CG2-CD1 4.13Å; C168-L292 CarbonylContact C-O 3.55Å; C168-L292 WeakPolarHBondContact CA-O 3.34Å; C168-L292 VanDerWaalsContact CB-O 3.31Å; C168-L292 WeakPolarHBondContact CB-O 3.33Å; L169-L292 HydrophobicContact CB-CB 4.37Å; L169-L292 PolarHBondContact N-O 3.1Å; L169-L292 PolarHBondContact O-N 3.43Å; V171-L292 HydrophobicContact CG2-CD1 3.93Å; V171-L292 HydrophobicContact CG2-CG 4.45Å; L290-L292 HydrophobicContact CD1-CD1 3.86Å; L290-L292 HydrophobicContact CD1-CD2 3.57Å; L290-L292 HydrophobicContact CD1-CG 3.64Å; L290-L292 HydrophobicContact CG-CG 4.39Å; L292-V360 HydrophobicContact CB-CG1 3.78Å; L292-V360 HydrophobicContact CD2-CG1 3.94Å; L292-V360 HydrophobicContact CG-CG1 4.3Å; L292-K361 CarbonylContact C-O 3.55Å; L292-K361 WeakPolarHBondContact CA-O 3.49Å; L292-V362 HydrophobicContact CD2-CB 4.49Å; L292-V362 HydrophobicContact CD2-CG2 3.93Å
293A94.4Very high89.4Confident4 Ų434.7 Ų34.73%0.03317%0.17CC..EExtended strand (participates in β ladder)trans-142.9156.1172.600000111.2C168 V360 K361 C363 C387C168-A293 HydrophobicContact CB-CB 4.08Å; A293-V360 WeakPolarHBondContact O-CG1 3.31Å; A293-K361 PolarHBondContact N-O 2.98Å; A293-K361 WeakPolarHBondContact O-CB 3.45Å; A293-K361 PolarHBondContact O-N 3.06Å; A293-C363 VanDerWaalsContact CB-SG 3.53Å; A293-C387 VanDerWaalsContact CB-SG 3.57Å
294Q92Very high88.3Confident84 Ų8435.6 Ų35.639%0.39318%0.176SC..  trans-64.1139166.5-64.3-167-30.600109.3V163V163-Q294 HydrophobicContact CG1-CG 3.86Å
295P90.1Very high86.7Confident13 Ų1341 Ų418%0.08420%0.199CC..  trans-64.7142.6168.1-5.819.4000109.2Y140 D351 A354 M355 Q359Y140-P295 HydrophobicContact CD1-CG 4.37Å; Y140-P295 HydrophobicContact CE1-CB 4.23Å; Y140-P295 HydrophobicContact CE1-CG 4.14Å; P295-D351 HydrophobicContact CB-CB 3.99Å; P295-A354 HydrophobicContact CB-CB 3.99Å; P295-A354 HydrophobicContact CG-CB 3.58Å; P295-M355 HydrophobicContact CB-CG 4.08Å; P295-M355 HydrophobicContact CG-CG 4.42Å; P295-M355 WeakPolarHBondContact O-CG 3.49Å; P295-Q359 VanDerWaalsContact CD-O 3.24Å; P295-Q359 WeakPolarHBondContact CD-O 3.46Å; P295-Q359 WeakPolarHBondContact CG-O 3.34Å
296V88.4Confident84.7Confident39 Ų3940.4 Ų40.424%0.23620%0.2CC..  trans-130140.1-176.1-1780000110.5W298V296-W298 PolarHBondContact O-N 3.29Å
297L84.8Confident82.8Confident106 Ų10644.7 Ų44.756%0.55522%0.223SC*.  trans-77.996.7168.8-67-177.7000109.8K352 M355L297-K352 HydrophobicContact CD2-CB 3.75Å; L297-K352 HydrophobicContact CD2-CG 4.04Å; L297-M355 HydrophobicContact CB-CE 4.25Å; L297-M355 HydrophobicContact CD1-CE 4.22Å; L297-M355 HydrophobicContact CD2-CE 3.22Å; L297-M355 HydrophobicContact CG-CE 3.24Å; L297-M355 HydrophobicContact CG-SD 4.13Å
298W86.4Confident80.5Confident21 Ų2150.3 Ų50.38%0.0825%0.252CS..  trans-101.8160.2171.167.9-77.2000110.6V296 P300 T303 R390 N393V296-W298 PolarHBondContact O-N 3.29Å; W298-P300 HydrophobicContact CD2-CG 4.45Å; W298-P300 HydrophobicContact CE3-CB 4.5Å; W298-P300 HydrophobicContact CE3-CG 4.22Å; W298-P300 HydrophobicContact CH2-CB 4.13Å; W298-P300 HydrophobicContact CH2-CG 4.04Å; W298-P300 HydrophobicContact CZ2-CG 4.21Å; W298-P300 VanDerWaalsContact CZ3-CA 3.4Å; W298-P300 HydrophobicContact CZ3-CB 3.99Å; W298-P300 HydrophobicContact CZ3-CG 4.05Å; W298-P300 WeakPolarHBondContact O-CD 3.43Å; W298-T303 HydrophobicContact CZ3-CG2 4.07Å; W298-R390 HydrophobicContact CB-CB 4.42Å; W298-R390 HydrophobicContact CD2-CG 4.45Å; W298-R390 HydrophobicContact CG-CB 4.42Å; W298-R390 HydrophobicContact CG-CG 4.47Å; W298-N393 WeakPolarHBondContact CA-OD1 3.46Å
299N86.3Confident78Confident57 Ų5759.7 Ų59.731%0.30529%0.288SS..  trans-105.3104.3177.8-177.3-19.2000109.8Q301 K302 T303 N393N299-Q301 PolarHBondContact O-N 3.05Å; N299-Q301 VanDerWaalsContact O-N 3.12Å; N299-Q301 WeakPolarHBondContact OD1-CB 3.27Å; N299-Q301 PolarHBondContact OD1-N 3.48Å; N299-K302 HydrophobicContact CB-CB 4.26Å; N299-K302 HydrophobicContact CB-CD 4.28Å; N299-K302 HydrophobicContact CB-CG 4.18Å; N299-K302 PolarHBondContact O-N 3.15Å; N299-T303 PolarHBondContact O-N 3.12Å; N299-T303 PolarHBondContact O-OG1 2.98Å; N299-N393 PolarHBondContact N-OD1 3.28Å
300P81.5Confident75.3Confident12 Ų1265 Ų658%0.07832%0.32CS..Hα-helixtrans-51.5-37178.7-30.236.7000114.9W298 K302 T303 M304 L341 I345 A348W298-P300 HydrophobicContact CD2-CG 4.45Å; W298-P300 HydrophobicContact CE3-CB 4.5Å; W298-P300 HydrophobicContact CE3-CG 4.22Å; W298-P300 HydrophobicContact CH2-CB 4.13Å; W298-P300 HydrophobicContact CH2-CG 4.04Å; W298-P300 HydrophobicContact CZ2-CG 4.21Å; W298-P300 VanDerWaalsContact CZ3-CA 3.4Å; W298-P300 HydrophobicContact CZ3-CB 3.99Å; W298-P300 HydrophobicContact CZ3-CG 4.05Å; W298-P300 WeakPolarHBondContact O-CD 3.43Å; P300-K302 VanDerWaalsContact C-N 3.31Å; P300-K302 PolarHBondContact O-N 3.07Å; P300-T303 PolarHBondContact O-N 3.19Å; P300-M304 PolarHBondContact O-N 3.04Å; P300-L341 HydrophobicContact CB-CD1 3.99Å; P300-I345 HydrophobicContact CB-CG1 4.29Å; P300-I345 HydrophobicContact CG-CG1 4.21Å; P300-A348 HydrophobicContact CG-CB 4.09Å
301Q82.8Confident72.6Confident116 Ų11670.9 Ų70.954%0.54236%0.356SS..Hα-helixtrans-71.9-24.5-178.1-60.1179.7-13.800113N299 K305N299-Q301 PolarHBondContact O-N 3.05Å; N299-Q301 VanDerWaalsContact O-N 3.12Å; N299-Q301 WeakPolarHBondContact OD1-CB 3.27Å; N299-Q301 PolarHBondContact OD1-N 3.48Å; Q301-K305 WeakPolarHBondContact O-CD 3.37Å; Q301-K305 VanDerWaalsContact O-CG 3.32Å; Q301-K305 WeakPolarHBondContact O-CG 3.23Å
302K80.7Confident69.6Low134 Ų13476.3 Ų76.358%0.58339%0.389SS*.Hα-helixtrans-79.1-41.2174.6-74-172.6176.3-174.30110.9N299 P300N299-K302 HydrophobicContact CB-CB 4.26Å; N299-K302 HydrophobicContact CB-CD 4.28Å; N299-K302 HydrophobicContact CB-CG 4.18Å; N299-K302 PolarHBondContact O-N 3.15Å; P300-K302 VanDerWaalsContact C-N 3.31Å; P300-K302 PolarHBondContact O-N 3.07Å
303T74Confident66.8Low24 Ų2485.3 Ų85.315%0.14743%0.432CS..Hα-helixtrans-67.2-37.4179.7-52.20000112.2W298 N299 P300 K305 T395W298-T303 HydrophobicContact CZ3-CG2 4.07Å; N299-T303 PolarHBondContact O-N 3.12Å; N299-T303 PolarHBondContact O-OG1 2.98Å; P300-T303 PolarHBondContact O-N 3.19Å; T303-K305 PolarHBondContact O-N 3.39Å; T303-T395 HydrophobicContact CG2-CG2 3.93Å; T303-T395 WeakPolarHBondContact O-CG2 3.36Å
304M68.6Low64Low52 Ų5291.8 Ų91.826%0.25647%0.471SS..G310 helixtrans-75.3-20.3-177.6-71.8-156.1164.700115.4P300 S306 S340 L341 S344P300-M304 PolarHBondContact O-N 3.04Å; M304-S306 VanDerWaalsContact C-N 3.32Å; M304-S306 PolarHBondContact O-N 3.5Å; M304-S340 WeakPolarHBondContact CE-OG 3.41Å; M304-L341 HydrophobicContact SD-CB 4.07Å; M304-L341 HydrophobicContact SD-CD1 3.96Å; M304-S344 WeakPolarHBondContact CE-OG 2.9Å
305K59.5Low61.1Low148 Ų14891.6 Ų91.664%0.64349%0.492SS*.G310 helixtrans-69.2-22.7-172.6-79177.8-177.2-171.80114.4Q301 T303Q301-K305 WeakPolarHBondContact O-CD 3.37Å; Q301-K305 VanDerWaalsContact O-CG 3.32Å; Q301-K305 WeakPolarHBondContact O-CG 3.23Å; T303-K305 PolarHBondContact O-N 3.39Å
306S51.5Low58.6Low30 Ų3096.7 Ų96.721%0.2152%0.522CS..G310 helixtrans-84.9-18.4-178.246.70000114.8M304 I308 Y309 T395 D398M304-S306 VanDerWaalsContact C-N 3.32Å; M304-S306 PolarHBondContact O-N 3.5Å; S306-I308 PolarHBondContact O-N 3.03Å; S306-I308 VanDerWaalsContact O-N 3.1Å; S306-Y309 PolarHBondContact O-N 3.32Å; S306-T395 WeakPolarHBondContact OG-CG2 3.19Å; S306-T395 PolarHBondContact OG-OG1 3.13Å; S306-D398 WeakPolarHBondContact CB-OD2 3.19Å; S306-D398 PolarHBondContact OG-OD2 3.1Å
307N48.5Very low56Low94 Ų94104.7 Ų104.750%0.50355%0.554SS.*G310 helixtrans-67.1-12.1175.5-81.3-10.1000113.8
308I45.7Very low54Low119 Ų119108.4 Ų108.461%0.6157%0.568SS**G310 helixtrans-80.4-18.1-176.8-61.5173.5000112.4S306S306-I308 PolarHBondContact O-N 3.03Å; S306-I308 VanDerWaalsContact O-N 3.1Å
309Y42.1Very low51.7Low199 Ų199116.6 Ų116.678%0.7860%0.604SS**G310 helixtrans-88.8-6.2-176.2-83.2-83.2000115.5S306S306-Y309 PolarHBondContact O-N 3.32Å
310V39.5Very low49.5Very low112 Ų112122.6 Ų122.668%0.67963%0.63SS**SBendtrans-96.7-11.8-172.9-178.60000113.7
311T37Very low47.5Very low125 Ų125128.1 Ų128.177%0.76766%0.659SS**SBendtrans-95.98.4-174-40.30000115
312T31.9Very low45.4Very low113 Ų113128.2 Ų128.269%0.69367%0.668SS**  trans-13155.2-17448.10000115.2
313Q36.4Very low43.5Very low190 Ų190128.1 Ų128.189%0.88867%0.673SS**  trans-144.663.8160.9-68.5-16610.100113.1
314T35.7Very low41.9Very low139 Ų139135.2 Ų135.285%0.85371%0.705SS**  trans-140.569.5151.445.80000109.5V316T314-V316 PolarHBondContact O-N 3.12Å; T314-V316 VanDerWaalsContact O-N 3.08Å
315G31Very low40.5Very low81 Ų81138 Ų13884%0.83573%0.729SS**  trans-77.882.8172.900000111.7
316V38.1Very low39.7Very low120 Ų120138.2 Ų138.273%0.72774%0.738SS**  trans-94.9104.7159.9-179.50000108T314 H318T314-V316 PolarHBondContact O-N 3.12Å; T314-V316 VanDerWaalsContact O-N 3.08Å; V316-H318 PolarHBondContact O-N 3.1Å
317K34.9Very low39.5Very low206 Ų206146.1 Ų146.190%0.89677%0.771SS**  trans-65.399.9173.5-70.1177.3177.2174.50109.7
318H41.5Very low39.5Very low184 Ų184149.6 Ų149.685%0.85279%0.785SS**  trans-99.1115.1156.2-94.4-64.5000110.3V316V316-H318 PolarHBondContact O-N 3.1Å
319K37.8Very low39.7Very low194 Ų194150.1 Ų150.184%0.84379%0.789SS**  trans-89.5106.4179.8-165-176.6-169.8-176.50107.1
320H40.9Very low40Very low183 Ų183150.6 Ų150.685%0.84779%0.789SS**  trans-151.9142.4153.8-137.4-79.3000112.1
321N39Very low40.2Very low128 Ų128148.3 Ų148.368%0.68478%0.778SS**  trans-72.9154.9-162-77.8-25.7000115.9
322T39.2Very low40.7Very low118 Ų118146.8 Ų146.872%0.72477%0.765SS**  trans81.3125.2135.542.70000121.7
323N41.3Very low41.5Very low131 Ų131147.8 Ų147.870%0.70176%0.762SS**  trans83.5100.5149-635.2000115.6
324E40.3Very low42.2Very low174 Ų174145.6 Ų145.681%0.81375%0.752SS**  88.2130.490.9-86.3-174.7169.700110.3
325S38.4Very low43.3Very low109 Ų109144.2 Ų144.276%0.76274%0.739SS**  trans74.2107.9-172.676.90000115.7
326D42.6Very low44.7Very low154 Ų154146.3 Ų146.382%0.82473%0.731SS**  trans-179.882.7142.7-82.6-20.6000108.6
327E46.9Very low45.8Very low196 Ų196146.6 Ų146.692%0.91672%0.724SS**  trans-94.311.2169.8-89.4-160.916400112.7
328E48.7Very low47.6Very low167 Ų167139.1 Ų139.178%0.7870%0.697SS**  trans-98.7-4-168.7-67.3-168.7166.900116.3
329D50.9Low49.5Very low130 Ų130134.2 Ų134.270%0.69568%0.675SS**SBendtrans-98.4-4.7-175.2-99-18.6000116.1
330R47.4Very low51.4Low208 Ų208127.8 Ų127.879%0.78565%0.654SS**Hα-helixtrans-81.1-23.7179.1-77-172.4178.3178.61.7114.6
331S45.1Very low53.3Low65 Ų65121.6 Ų121.646%0.45563%0.627SS.*Hα-helixtrans-70.4-34.1-178.451.80000112.7D335S331-D335 PolarHBondContact O-N 3.4Å; S331-D335 VanDerWaalsContact O-N 3.15Å
332N47.1Very low55.5Low93 Ų93119.8 Ų119.850%0.49761%0.613SS.*Hα-helixtrans-70.8-37.1-176.6-72.2-31000113.2L336N332-L336 WeakPolarHBondContact O-CB 3.04Å; N332-L336 WeakPolarHBondContact O-CD1 3.38Å; N332-L336 VanDerWaalsContact O-CG 3.29Å; N332-L336 WeakPolarHBondContact O-CG 3.24Å; N332-L336 PolarHBondContact O-N 3.13Å; N332-L336 VanDerWaalsContact O-N 3.12Å
333E48.7Very low57.7Low133 Ų133117.6 Ų117.662%0.62160%0.6SS**Hα-helixtrans-71.3-39.3177.5-70.7-165.2159.800112.1L336 H337E333-L336 PolarHBondContact O-N 3.16Å; E333-H337 WeakPolarHBondContact O-CB 3.46Å; E333-H337 PolarHBondContact O-CD2 3.1Å; E333-H337 PolarHBondContact O-N 2.85Å
334E50.6Low59.7Low145 Ų145112.1 Ų112.168%0.67857%0.572SS**Hα-helixtrans-64.6-39.6176.7-70.7-172.6175.500111.9S338E334-S338 VanDerWaalsContact O-CB 3.27Å; E334-S338 WeakPolarHBondContact O-CB 3.47Å; E334-S338 PolarHBondContact O-N 3.13Å
335D59.7Low61.9Low109 Ų109107.3 Ų107.358%0.58355%0.55SS**Hα-helixtrans-69.7-40177.4-86.9-19.9000112.9S331 S338 E339S331-D335 PolarHBondContact O-N 3.4Å; S331-D335 VanDerWaalsContact O-N 3.15Å; D335-S338 WeakPolarHBondContact O-CB 3.45Å; D335-S338 PolarHBondContact O-N 3.21Å; D335-E339 PolarHBondContact O-N 3.22Å
336L59.7Low64.2Low126 Ų126108.5 Ų108.566%0.6654%0.538SS*.Hα-helixtrans-65.1-41.9176-75.8167000112N332 E333 S338 E339 S340N332-L336 WeakPolarHBondContact O-CB 3.04Å; N332-L336 WeakPolarHBondContact O-CD1 3.38Å; N332-L336 VanDerWaalsContact O-CG 3.29Å; N332-L336 WeakPolarHBondContact O-CG 3.24Å; N332-L336 PolarHBondContact O-N 3.13Å; N332-L336 VanDerWaalsContact O-N 3.12Å; E333-L336 PolarHBondContact O-N 3.16Å; L336-S338 VanDerWaalsContact C-N 3.35Å; L336-E339 PolarHBondContact O-N 2.65Å; L336-S340 WeakPolarHBondContact O-CB 3.5Å; L336-S340 PolarHBondContact O-N 2.91Å
337H61.5Low66.3Low126 Ų126103.4 Ų103.458%0.58351%0.51SS*.Hα-helixtrans-64.1-40.6174.1-77.9-48.1000112.2E333 E339 L341E333-H337 WeakPolarHBondContact O-CB 3.46Å; E333-H337 PolarHBondContact O-CD2 3.1Å; E333-H337 PolarHBondContact O-N 2.85Å; H337-E339 PolarHBondContact O-N 2.8Å; H337-L341 WeakPolarHBondContact O-CB 3.14Å; H337-L341 PolarHBondContact O-N 2.9Å; H337-L341 VanDerWaalsContact O-N 3.13Å
338S73.1Confident68.1Low49 Ų4994.8 Ų94.834%0.34347%0.472SS..Hα-helixtrans-59.4-45.3175.3-176.80000111.4E334 D335 L336 K342E334-S338 VanDerWaalsContact O-CB 3.27Å; E334-S338 WeakPolarHBondContact O-CB 3.47Å; E334-S338 PolarHBondContact O-N 3.13Å; D335-S338 WeakPolarHBondContact O-CB 3.45Å; D335-S338 PolarHBondContact O-N 3.21Å; L336-S338 VanDerWaalsContact C-N 3.35Å; S338-K342 WeakPolarHBondContact O-CG 3.24Å; S338-K342 PolarHBondContact O-N 2.63Å; S338-K342 VanDerWaalsContact O-N 3.1Å; S338-K342 WeakPolarHBondContact OG-CE 3.39Å; S338-K342 PolarHBondContact OG-NZ 3.17Å
339E80.2Confident70Confident80 Ų8091.5 Ų91.537%0.37446%0.459SS..Hα-helixtrans-73.3-40.8-177.6-160.655.4-144.900113D335 L336 H337 L341 K342 V343 R346D335-E339 PolarHBondContact O-N 3.22Å; L336-E339 PolarHBondContact O-N 2.65Å; H337-E339 PolarHBondContact O-N 2.8Å; E339-L341 VanDerWaalsContact C-N 3.33Å; E339-L341 PolarHBondContact O-N 2.97Å; E339-K342 WeakPolarHBondContact O-CB 3.36Å; E339-K342 PolarHBondContact O-N 3.4Å; E339-K342 WeakPolarHBondContact OE2-CD 3.12Å; E339-K342 IonicContact OE2-NZ 2.72Å; E339-K342 PolarHBondContact OE2-NZ 3.2Å; E339-V343 WeakPolarHBondContact O-CG2 3.31Å; E339-V343 PolarHBondContact O-N 3.08Å; E339-R346 IonicContact OE1-CZ 3.18Å; E339-R346 IonicContact OE1-NH2 3.26Å; E339-R346 PolarHBondContact OE1-NH2 2.91Å
340S77.7Confident71.8Confident59 Ų5991.8 Ų91.841%0.41345%0.45SS..Hα-helixtrans-60-43.6176.6-170.50000112.1M304 L336 V343 S344M304-S340 WeakPolarHBondContact CE-OG 3.41Å; L336-S340 WeakPolarHBondContact O-CB 3.5Å; L336-S340 PolarHBondContact O-N 2.91Å; S340-V343 PolarHBondContact O-N 3.07Å; S340-S344 PolarHBondContact O-N 3.1Å; S340-S344 VanDerWaalsContact O-N 3.1Å; S340-S344 PolarHBondContact O-OG 2.82Å; S340-S344 VanDerWaalsContact O-OG 3.12Å
341L81.4Confident73.8Confident53 Ų5382 Ų8228%0.27741%0.414SS..Hα-helixtrans-66.1-40176.9-175.563.3000111.4P300 M304 H337 E339 V343 S344 I345P300-L341 HydrophobicContact CB-CD1 3.99Å; M304-L341 HydrophobicContact SD-CB 4.07Å; M304-L341 HydrophobicContact SD-CD1 3.96Å; H337-L341 WeakPolarHBondContact O-CB 3.14Å; H337-L341 PolarHBondContact O-N 2.9Å; H337-L341 VanDerWaalsContact O-N 3.13Å; E339-L341 VanDerWaalsContact C-N 3.33Å; E339-L341 PolarHBondContact O-N 2.97Å; L341-V343 PolarHBondContact O-N 3.4Å; L341-S344 PolarHBondContact O-N 3.49Å; L341-I345 HydrophobicContact CD1-CD1 4.35Å; L341-I345 HydrophobicContact CG-CD1 3.92Å; L341-I345 VanDerWaalsContact O-CG1 3.26Å; L341-I345 WeakPolarHBondContact O-CG1 3.49Å; L341-I345 PolarHBondContact O-N 2.58Å
342K85Confident76Confident91 Ų9185 Ų8540%0.39642%0.419SS..Hα-helixtrans-60.7-43.8175.3-74.8173.4-146.4156.40112S338 E339 S344 I345 R346S338-K342 WeakPolarHBondContact O-CG 3.24Å; S338-K342 PolarHBondContact O-N 2.63Å; S338-K342 VanDerWaalsContact O-N 3.1Å; S338-K342 WeakPolarHBondContact OG-CE 3.39Å; S338-K342 PolarHBondContact OG-NZ 3.17Å; E339-K342 WeakPolarHBondContact O-CB 3.36Å; E339-K342 PolarHBondContact O-N 3.4Å; E339-K342 WeakPolarHBondContact OE2-CD 3.12Å; E339-K342 IonicContact OE2-NZ 2.72Å; E339-K342 PolarHBondContact OE2-NZ 3.2Å; K342-S344 VanDerWaalsContact C-N 3.34Å; K342-I345 PolarHBondContact O-N 2.68Å; K342-R346 WeakPolarHBondContact O-CG 3.47Å; K342-R346 PolarHBondContact O-N 3.23Å
343V84.6Confident78Confident72 Ų7285.4 Ų85.444%0.43642%0.418SS..Hα-helixtrans-60.3-46.7177172.40000110.4E339 S340 L341 I345 R346 E347E339-V343 WeakPolarHBondContact O-CG2 3.31Å; E339-V343 PolarHBondContact O-N 3.08Å; S340-V343 PolarHBondContact O-N 3.07Å; L341-V343 PolarHBondContact O-N 3.4Å; V343-I345 VanDerWaalsContact C-N 3.34Å; V343-I345 PolarHBondContact O-N 2.77Å; V343-R346 PolarHBondContact O-N 3.49Å; V343-E347 PolarHBondContact O-N 3.41Å
344S83.6Confident79.9Confident16 Ų1679.2 Ų79.211%0.11239%0.389CS..Hα-helixtrans-61.1-39.5177.8-65.10000113M304 S340 L341 K342 E347 A348M304-S344 WeakPolarHBondContact CE-OG 2.9Å; S340-S344 PolarHBondContact O-N 3.1Å; S340-S344 VanDerWaalsContact O-N 3.1Å; S340-S344 PolarHBondContact O-OG 2.82Å; S340-S344 VanDerWaalsContact O-OG 3.12Å; L341-S344 PolarHBondContact O-N 3.49Å; K342-S344 VanDerWaalsContact C-N 3.34Å; S344-E347 PolarHBondContact O-N 3.18Å; S344-A348 PolarHBondContact O-N 3.02Å
345I86.6Confident81.7Confident72 Ų7275.6 Ų75.637%0.36937%0.373SS..Hα-helixtrans-66.9-44.1175.6-69.5166.3000111.1P300 L341 K342 V343 E347 A348 L349P300-I345 HydrophobicContact CB-CG1 4.29Å; P300-I345 HydrophobicContact CG-CG1 4.21Å; L341-I345 HydrophobicContact CD1-CD1 4.35Å; L341-I345 HydrophobicContact CG-CD1 3.92Å; L341-I345 VanDerWaalsContact O-CG1 3.26Å; L341-I345 WeakPolarHBondContact O-CG1 3.49Å; L341-I345 PolarHBondContact O-N 2.58Å; K342-I345 PolarHBondContact O-N 2.68Å; V343-I345 VanDerWaalsContact C-N 3.34Å; V343-I345 PolarHBondContact O-N 2.77Å; I345-E347 VanDerWaalsContact C-N 3.28Å; I345-E347 PolarHBondContact O-N 3.12Å; I345-A348 PolarHBondContact O-N 3.44Å; I345-L349 HydrophobicContact CG2-CD1 4.33Å; I345-L349 WeakPolarHBondContact O-CG 3.29Å; I345-L349 PolarHBondContact O-N 3.34Å
346R87.2Confident83.1Confident134 Ų13475.1 Ų75.151%0.50638%0.378SS..Hα-helixtrans-58.8-42.7175.8-71178.8-136.9147.56111E339 K342 V343 L349 R350E339-R346 IonicContact OE1-CZ 3.18Å; E339-R346 IonicContact OE1-NH2 3.26Å; E339-R346 PolarHBondContact OE1-NH2 2.91Å; K342-R346 WeakPolarHBondContact O-CG 3.47Å; K342-R346 PolarHBondContact O-N 3.23Å; V343-R346 PolarHBondContact O-N 3.49Å; R346-L349 PolarHBondContact O-N 3.31Å; R346-R350 WeakPolarHBondContact O-CG 3.33Å; R346-R350 PolarHBondContact O-N 3.03Å
347E85.8Confident84.4Confident48 Ų4871.9 Ų71.922%0.22437%0.366CS..Hα-helixtrans-64.5-44177.5-173174.6-16900112.3V343 S344 I345 L349 R350 D351 K361 R390V343-E347 PolarHBondContact O-N 3.41Å; S344-E347 PolarHBondContact O-N 3.18Å; I345-E347 VanDerWaalsContact C-N 3.28Å; I345-E347 PolarHBondContact O-N 3.12Å; E347-L349 VanDerWaalsContact C-N 3.28Å; E347-L349 PolarHBondContact O-N 2.86Å; E347-R350 WeakPolarHBondContact O-CB 3.37Å; E347-R350 PolarHBondContact O-N 2.7Å; E347-R350 VanDerWaalsContact O-N 3.13Å; E347-D351 PolarHBondContact O-N 3.22Å; E347-K361 WeakPolarHBondContact OE1-CE 3.4Å; E347-K361 IonicContact OE1-NZ 3.87Å; E347-K361 PolarHBondContact OE1-NZ 2.8Å; E347-R390 VanDerWaalsContact CD-NH2 3.26Å; E347-R390 IonicContact OE1-CZ 2.63Å; E347-R390 VanDerWaalsContact OE1-CZ 3.24Å; E347-R390 IonicContact OE1-NH1 3.56Å; E347-R390 PolarHBondContact OE1-NH1 3.09Å; E347-R390 IonicContact OE1-NH2 2.7Å; E347-R390 PolarHBondContact OE1-NH2 3.48Å; E347-R390 VanDerWaalsContact OE1-NH2 3.1Å; E347-R390 IonicContact OE2-CZ 3.31Å; E347-R390 IonicContact OE2-NH1 3.95Å; E347-R390 IonicContact OE2-NH2 3.86Å; E347-R390 PolarHBondContact OE2-NH2 2.88Å
348A86.5Confident85.6Confident15 Ų1573.4 Ų73.412%0.12437%0.371CS..Hα-helixtrans-61.9-34.8175.600000112.6P300 S344 I345 K352P300-A348 HydrophobicContact CG-CB 4.09Å; S344-A348 PolarHBondContact O-N 3.02Å; I345-A348 PolarHBondContact O-N 3.44Å; A348-K352 PolarHBondContact O-N 2.74Å
349L88.5Confident86.4Confident97 Ų9774.1 Ų74.151%0.50837%0.369SS..Hα-helixtrans-66.7-41.6172.7-70.3172.4000111.8I345 R346 E347 K352 E353I345-L349 HydrophobicContact CG2-CD1 4.33Å; I345-L349 WeakPolarHBondContact O-CG 3.29Å; I345-L349 PolarHBondContact O-N 3.34Å; R346-L349 PolarHBondContact O-N 3.31Å; E347-L349 VanDerWaalsContact C-N 3.28Å; E347-L349 PolarHBondContact O-N 2.86Å; L349-K352 WeakPolarHBondContact O-CB 3.35Å; L349-K352 PolarHBondContact O-N 2.85Å; L349-E353 WeakPolarHBondContact O-CG 3.45Å; L349-E353 PolarHBondContact O-N 2.91Å
350R88.1Confident87Confident137 Ų13770.3 Ų70.352%0.51735%0.351SS..Hα-helixtrans-62.6-42.8173.8-72.9-61.3-163.9-170.85.3112.3Y140 R346 E347 K352 E353 A354Y140-R350 HydrophobicContact CE2-CB 3.91Å; Y140-R350 WeakPolarHBondContact OH-CB 3.44Å; R346-R350 WeakPolarHBondContact O-CG 3.33Å; R346-R350 PolarHBondContact O-N 3.03Å; E347-R350 WeakPolarHBondContact O-CB 3.37Å; E347-R350 PolarHBondContact O-N 2.7Å; E347-R350 VanDerWaalsContact O-N 3.13Å; R350-K352 VanDerWaalsContact C-N 3.28Å; R350-K352 PolarHBondContact O-N 3.33Å; R350-E353 IonicContact CZ-OE2 2.93Å; R350-E353 IonicContact NH1-OE2 3.52Å; R350-E353 PolarHBondContact NH1-OE2 3.23Å; R350-E353 PolarHBondContact O-N 2.74Å; R350-A354 WeakPolarHBondContact O-CB 3.5Å; R350-A354 PolarHBondContact O-N 2.95Å
351D89.5Confident87.7Confident3 Ų368.4 Ų68.42%0.01634%0.335CS..Hα-helixtrans-60-41.7175.5-73.7-24.5000110.6Y140 P295 E347 A354 M355 K361Y140-D351 PolarHBondContact OH-N 3.01Å; Y140-D351 PolarHBondContact OH-OD1 3.41Å; P295-D351 HydrophobicContact CB-CB 3.99Å; E347-D351 PolarHBondContact O-N 3.22Å; D351-A354 PolarHBondContact O-N 3.33Å; D351-M355 WeakPolarHBondContact O-CE 3.07Å; D351-M355 PolarHBondContact O-N 2.97Å; D351-K361 VanDerWaalsContact CG-NZ 3.31Å; D351-K361 WeakPolarHBondContact OD1-CD 3.47Å; D351-K361 IonicContact OD1-NZ 3Å; D351-K361 PolarHBondContact OD1-NZ 2.95Å; D351-K361 IonicContact OD2-NZ 3.78Å; D351-K361 PolarHBondContact OD2-NZ 3.06Å
352K90.4Very high88.2Confident128 Ų12866.6 Ų66.656%0.55733%0.327SS*.Hα-helixtrans-59.9-46.1174.7-172.8179.7179.8-1770112.8L297 A348 L349 R350 S356L297-K352 HydrophobicContact CD2-CB 3.75Å; L297-K352 HydrophobicContact CD2-CG 4.04Å; A348-K352 PolarHBondContact O-N 2.74Å; L349-K352 WeakPolarHBondContact O-CB 3.35Å; L349-K352 PolarHBondContact O-N 2.85Å; R350-K352 VanDerWaalsContact C-N 3.28Å; R350-K352 PolarHBondContact O-N 3.33Å; K352-S356 PolarHBondContact O-N 3.03Å
353E90.2Very high88.5Confident101 Ų10164.3 Ų64.347%0.47232%0.321SS..Hα-helixtrans-60.9-45.8174.9-71.3173.7179.500111.1L349 R350 M355 S356 S357L349-E353 WeakPolarHBondContact O-CG 3.45Å; L349-E353 PolarHBondContact O-N 2.91Å; R350-E353 IonicContact CZ-OE2 2.93Å; R350-E353 IonicContact NH1-OE2 3.52Å; R350-E353 PolarHBondContact NH1-OE2 3.23Å; R350-E353 PolarHBondContact O-N 2.74Å; E353-M355 PolarHBondContact O-N 3.11Å; E353-S356 PolarHBondContact O-N 3.37Å; E353-S356 PolarHBondContact O-OG 2.99Å; E353-S357 PolarHBondContact O-N 3.47Å; E353-S357 VanDerWaalsContact O-N 3.11Å; E353-S357 PolarHBondContact O-OG 3.32Å
354A88.6Confident88.8Confident2 Ų261.9 Ų61.92%0.01731%0.309CS..Hα-helixtrans-63.6-40.3-178.800000112.8Y140 P295 R350 D351 S356 S357 K358 Q359Y140-A354 HydrophobicContact CD1-CB 3.28Å; Y140-A354 HydrophobicContact CE1-CB 3.28Å; Y140-A354 HydrophobicContact CG-CB 3.98Å; P295-A354 HydrophobicContact CB-CB 3.99Å; P295-A354 HydrophobicContact CG-CB 3.58Å; R350-A354 WeakPolarHBondContact O-CB 3.5Å; R350-A354 PolarHBondContact O-N 2.95Å; D351-A354 PolarHBondContact O-N 3.33Å; A354-S356 VanDerWaalsContact C-N 3.34Å; A354-S356 PolarHBondContact O-N 2.94Å; A354-S357 CarbonylContact O-C 3.52Å; A354-S357 PolarHBondContact O-N 2.99Å; A354-K358 PolarHBondContact O-N 3.01Å; A354-Q359 HydrophobicContact CB-CB 4.15Å; A354-Q359 PolarHBondContact O-N 3.34Å
355M88.4Confident89.2Confident70 Ų7064.4 Ų64.435%0.34532%0.321SS..Hα-helixtrans-59.6-43.6173.2-87.6178.4-68.500112P295 L297 D351 E353 S357 K358P295-M355 HydrophobicContact CB-CG 4.08Å; P295-M355 HydrophobicContact CG-CG 4.42Å; P295-M355 WeakPolarHBondContact O-CG 3.49Å; L297-M355 HydrophobicContact CB-CE 4.25Å; L297-M355 HydrophobicContact CD1-CE 4.22Å; L297-M355 HydrophobicContact CD2-CE 3.22Å; L297-M355 HydrophobicContact CG-CE 3.24Å; L297-M355 HydrophobicContact CG-SD 4.13Å; D351-M355 WeakPolarHBondContact O-CE 3.07Å; D351-M355 PolarHBondContact O-N 2.97Å; E353-M355 PolarHBondContact O-N 3.11Å; M355-S357 PolarHBondContact O-N 3.35Å; M355-K358 PolarHBondContact O-N 3.19Å
356S88.7Confident89.6Confident98 Ų9862.9 Ų62.969%0.68531%0.312SS*.Hα-helixtrans-63.5-32.6177.9750000112.4K352 E353 A354K352-S356 PolarHBondContact O-N 3.03Å; E353-S356 PolarHBondContact O-N 3.37Å; E353-S356 PolarHBondContact O-OG 2.99Å; A354-S356 VanDerWaalsContact C-N 3.34Å; A354-S356 PolarHBondContact O-N 2.94Å
357S87.3Confident89.8Confident59 Ų5958.7 Ų58.741%0.41330%0.299SS..THydrogen-bonded Turntrans-925.2-179.3-58.40000113.8E353 A354 M355 Q359E353-S357 PolarHBondContact O-N 3.47Å; E353-S357 VanDerWaalsContact O-N 3.11Å; E353-S357 PolarHBondContact O-OG 3.32Å; A354-S357 CarbonylContact O-C 3.52Å; A354-S357 PolarHBondContact O-N 2.99Å; M355-S357 PolarHBondContact O-N 3.35Å; S357-Q359 PolarHBondContact O-N 3.04Å
358K86.4Confident90.2Very high158 Ų15856.6 Ų56.669%0.68729%0.29SS*.THydrogen-bonded Turntrans50.335.2-173.9-58.7-179.6179.51790113.3A354 M355A354-K358 PolarHBondContact O-N 3.01Å; M355-K358 PolarHBondContact O-N 3.19Å
359Q90.3Very high90.5Very high64 Ų6457.6 Ų57.630%0.29930%0.296SS..  trans-86155.3175.2-65.1179.7-9.300110.2Y140 L141 F142 P295 A354 S357Y140-Q359 VanDerWaalsContact CB-OE1 3.3Å; L141-Q359 WeakPolarHBondContact O-CA 3.31Å; F142-Q359 HydrophobicContact CB-CG 4.46Å; F142-Q359 HydrophobicContact CD2-CG 4.39Å; P295-Q359 VanDerWaalsContact CD-O 3.24Å; P295-Q359 WeakPolarHBondContact CD-O 3.46Å; P295-Q359 WeakPolarHBondContact CG-O 3.34Å; A354-Q359 HydrophobicContact CB-CB 4.15Å; A354-Q359 PolarHBondContact O-N 3.34Å; S357-Q359 PolarHBondContact O-N 3.04Å
360V91.6Very high90.7Very high0 Ų056 Ų560%028%0.283CS..EExtended strand (participates in β ladder)trans-104.4139.2174.4168.20000108.7Y140 L141 L143 V163 L292 A293Y140-V360 CarbonylContact C-O 3.5Å; Y140-V360 WeakPolarHBondContact CA-O 3.26Å; L141-V360 PolarHBondContact N-O 2.72Å; L141-V360 PolarHBondContact O-N 2.59Å; L143-V360 HydrophobicContact CD1-CB 3.84Å; L143-V360 HydrophobicContact CD1-CG1 4.05Å; L143-V360 HydrophobicContact CD1-CG2 3.64Å; L143-V360 HydrophobicContact CG-CB 4.22Å; L143-V360 HydrophobicContact CG-CG2 4.25Å; V163-V360 HydrophobicContact CB-CG2 4.42Å; V163-V360 HydrophobicContact CG1-CG1 3.94Å; V163-V360 HydrophobicContact CG1-CG2 3.99Å; V163-V360 HydrophobicContact CG2-CG1 4.18Å; L292-V360 HydrophobicContact CB-CG1 3.78Å; L292-V360 HydrophobicContact CD2-CG1 3.94Å; L292-V360 HydrophobicContact CG-CG1 4.3Å; A293-V360 WeakPolarHBondContact O-CG1 3.31Å
361K92.3Very high90.8Very high18 Ų1849.8 Ų49.88%0.07826%0.26CS..EExtended strand (participates in β ladder)trans-79.2136.6176.7-169.6173.5-168.3153.50110.3D139 Y140 L292 A293 E347 D351D139-K361 CarbonylContact O-C 3.56Å; D139-K361 WeakPolarHBondContact O-CA 3.33Å; Y140-K361 HydrophobicContact CD1-CB 3.99Å; Y140-K361 HydrophobicContact CD1-CG 4.3Å; Y140-K361 HydrophobicContact CE1-CB 3.74Å; Y140-K361 HydrophobicContact CE1-CD 4.22Å; Y140-K361 HydrophobicContact CE1-CG 3.79Å; L292-K361 CarbonylContact C-O 3.55Å; L292-K361 WeakPolarHBondContact CA-O 3.49Å; A293-K361 PolarHBondContact N-O 2.98Å; A293-K361 WeakPolarHBondContact O-CB 3.45Å; A293-K361 PolarHBondContact O-N 3.06Å; E347-K361 WeakPolarHBondContact OE1-CE 3.4Å; E347-K361 IonicContact OE1-NZ 3.87Å; E347-K361 PolarHBondContact OE1-NZ 2.8Å; D351-K361 VanDerWaalsContact CG-NZ 3.31Å; D351-K361 WeakPolarHBondContact OD1-CD 3.47Å; D351-K361 IonicContact OD1-NZ 3Å; D351-K361 PolarHBondContact OD1-NZ 2.95Å; D351-K361 IonicContact OD2-NZ 3.78Å; D351-K361 PolarHBondContact OD2-NZ 3.06Å
362V92.6Very high90.8Very high16 Ų1651.1 Ų51.110%0.09727%0.27CS..EExtended strand (participates in β ladder)trans-95.1102.6169.4-173.70000107.3C138 D139 L141 V291 L292 L365C138-V362 VanDerWaalsContact O-CB 3.26Å; C138-V362 WeakPolarHBondContact O-CB 3.17Å; C138-V362 WeakPolarHBondContact O-CG2 3.47Å; D139-V362 PolarHBondContact O-N 3.39Å; L141-V362 HydrophobicContact CB-CG2 4.5Å; L141-V362 HydrophobicContact CD1-CG2 3.69Å; L141-V362 HydrophobicContact CG-CG2 3.66Å; V291-V362 CarbonylContact O-C 3.6Å; L292-V362 HydrophobicContact CD2-CB 4.49Å; L292-V362 HydrophobicContact CD2-CG2 3.93Å; V362-L365 HydrophobicContact CG1-CB 3.9Å
363C90.9Very high90.9Very high42 Ų4247.5 Ų47.528%0.28426%0.256SS..EExtended strand (participates in β ladder)trans-80.1-27.9-177.4-59.10000112.5V291 A293 A383 C387V291-C363 HydrophobicContact CB-CB 4.29Å; V291-C363 HydrophobicContact CG1-CB 4.16Å; V291-C363 PolarHBondContact O-N 2.86Å; A293-C363 VanDerWaalsContact CB-SG 3.53Å; C363-A383 HydrophobicContact CB-CB 4.28Å; C363-C387 PolarHBondContact SG-SG 3.46Å
364A91.6Very high91Very high21 Ų2144 Ų4417%0.17424%0.241CC..EExtended strand (participates in β ladder)trans-151.6142.317100000109.2L290 V291 M375 A383L290-A364 CarbonylContact C-O 3.56Å; L290-A364 WeakPolarHBondContact CA-O 3.42Å; L290-A364 WeakPolarHBondContact CB-O 3.48Å; V291-A364 HydrophobicContact CB-CB 4.11Å; V291-A364 HydrophobicContact CG2-CB 4.04Å; V291-A364 PolarHBondContact N-O 3.32Å; V291-A364 PolarHBondContact O-N 3.08Å; A364-M375 HydrophobicContact CB-SD 3.96Å; A364-A383 HydrophobicContact CB-CB 4.33Å
365L92.4Very high91.2Very high69 Ų6944.3 Ų44.336%0.36124%0.242SC..EExtended strand (participates in β ladder)trans-136.6123.4174.417662.9000109.1I242 L290 V362 L367I242-L365 HydrophobicContact CG2-CD1 4.13Å; L290-L365 HydrophobicContact CB-CD1 4Å; V362-L365 HydrophobicContact CG1-CB 3.9Å; L365-L367 HydrophobicContact CD1-CD2 3.96Å; L365-L367 HydrophobicContact CD1-CG 4.47Å; L365-L367 HydrophobicContact CD2-CD2 4.41Å; L365-L367 HydrophobicContact CD2-CG 4.36Å; L365-L367 HydrophobicContact CG-CD2 4.26Å; L365-L367 HydrophobicContact CG-CG 4.25Å
366H93.6Very high91.4Very high40 Ų4044.9 Ų44.919%0.18525%0.251CS..EExtended strand (participates in β ladder)trans-119106.9174.7-174.255.6000110G288 E289 S368 D373 M375G288-H366 CarbonylContact C-O 3.41Å; G288-H366 WeakPolarHBondContact CA-O 3.21Å; E289-H366 PolarHBondContact N-O 2.95Å; E289-H366 PolarHBondContact O-N 2.86Å; H366-S368 PolarHBondContact CD2-OG 3.4Å; H366-S368 PolarHBondContact O-N 3.45Å; H366-D373 PolarHBondContact CD2-O 2.97Å; H366-D373 IonicContact CE1-OD1 3.6Å; H366-D373 PolarHBondContact CE1-OD1 2.98Å; H366-D373 VanDerWaalsContact CE1-OD1 3.31Å; H366-D373 IonicContact CE1-OD2 2.93Å; H366-D373 PolarHBondContact NE2-O 3.32Å; H366-D373 IonicContact NE2-OD1 2.73Å; H366-D373 PolarHBondContact NE2-OD1 3.41Å; H366-D373 IonicContact NE2-OD2 3.6Å; H366-M375 HydrophobicContact CB-CB 3.89Å; H366-M375 HydrophobicContact CB-CG 4.31Å; H366-M375 HydrophobicContact CB-SD 4.3Å; H366-M375 PolarHBondContact CD2-N 2.95Å
367L93Very high91.6Very high47 Ų4741.9 Ų41.925%0.24623%0.23CC..  trans-89.686.9174.3-62.5-177.8000110I242 F244 K245 L365 S369I242-L367 HydrophobicContact CG2-CD2 3.67Å; F244-L367 HydrophobicContact CD1-CD2 3.74Å; F244-L367 HydrophobicContact CE1-CD2 3.93Å; K245-L367 PolarHBondContact NZ-O 2.94Å; L365-L367 HydrophobicContact CD1-CD2 3.96Å; L365-L367 HydrophobicContact CD1-CG 4.47Å; L365-L367 HydrophobicContact CD2-CD2 4.41Å; L365-L367 HydrophobicContact CD2-CG 4.36Å; L365-L367 HydrophobicContact CG-CD2 4.26Å; L365-L367 HydrophobicContact CG-CG 4.25Å; L367-S369 PolarHBondContact O-N 3.31Å
368S93.5Very high91.8Very high4 Ų441.5 Ų41.53%0.02824%0.235CC..  trans-48.6128.3-176.2-65.80000112.4G288 H366 R370 D373G288-S368 WeakPolarHBondContact CA-OG 3.26Å; H366-S368 PolarHBondContact CD2-OG 3.4Å; H366-S368 PolarHBondContact O-N 3.45Å; S368-R370 VanDerWaalsContact C-N 3.29Å; S368-R370 WeakPolarHBondContact CB-O 3.37Å; S368-D373 WeakPolarHBondContact CB-O 3.4Å; S368-D373 PolarHBondContact OG-O 3.36Å
369S92.9Very high92.1Very high35 Ų3536.5 Ų36.525%0.24522%0.221CC..SBendtrans-76.7-21.5174.566.80000112.8R250 I286 L367 D373R250-S369 WeakPolarHBondContact CG-O 3.35Å; R250-S369 PolarHBondContact NH1-O 3.01Å; I286-S369 WeakPolarHBondContact CD1-O 3.39Å; L367-S369 PolarHBondContact O-N 3.31Å; S369-D373 VanDerWaalsContact CB-OD2 3.31Å; S369-D373 WeakPolarHBondContact CB-OD2 3.44Å; S369-D373 PolarHBondContact N-OD2 3.2Å; S369-D373 PolarHBondContact OG-OD2 3.1Å
370R92.4Very high92.3Very high64 Ų6433.8 Ų33.824%0.24221%0.208CC..SBendtrans-152.8159.7-176.4-65.1178.9-178.1165.6-13.5109.2A253 E255 N256 I286 S368 S372 D373A253-R370 HydrophobicContact CB-CG 4.21Å; E255-R370 IonicContact OE1-CZ 2.83Å; E255-R370 IonicContact OE1-NH1 2.76Å; E255-R370 PolarHBondContact OE1-NH1 2.95Å; E255-R370 IonicContact OE1-NH2 3.62Å; E255-R370 PolarHBondContact OE1-NH2 3.02Å; E255-R370 IonicContact OE2-CZ 3.41Å; E255-R370 IonicContact OE2-NE 2.69Å; E255-R370 IonicContact OE2-NH1 3.01Å; E255-R370 PolarHBondContact OE2-NH1 2.82Å; E255-R370 IonicContact OE2-NH2 3.58Å; E255-R370 PolarHBondContact OE2-NH2 3.21Å; N256-R370 WeakPolarHBondContact OD1-CB 3.31Å; I286-R370 VanDerWaalsContact CG2-O 3.32Å; I286-R370 WeakPolarHBondContact CG2-O 3.17Å; S368-R370 VanDerWaalsContact C-N 3.29Å; S368-R370 WeakPolarHBondContact CB-O 3.37Å; R370-S372 PolarHBondContact O-N 3.44Å; R370-D373 HydrophobicContact CB-CB 4.13Å; R370-D373 WeakPolarHBondContact O-CB 3.38Å; R370-D373 PolarHBondContact O-N 3.3Å; R370-D373 VanDerWaalsContact O-N 3.09Å
371I89.8Confident92.4Very high6 Ų635.7 Ų35.73%0.03122%0.215CC..THydrogen-bonded Turntrans-67.4-28.3-178.3-62.4173.1000111.4W178 V251 N256 I286 D373W178-I371 HydrophobicContact CB-CD1 4.03Å; W178-I371 VanDerWaalsContact CD1-CD1 3.4Å; W178-I371 HydrophobicContact CD2-CD1 3.53Å; W178-I371 HydrophobicContact CE3-CD1 4.29Å; W178-I371 HydrophobicContact CG-CD1 3.36Å; W178-I371 HydrophobicContact CZ2-CD1 4.5Å; V251-I371 HydrophobicContact CG1-CD1 4.43Å; N256-I371 PolarHBondContact OD1-N 3.31Å; I286-I371 HydrophobicContact CB-CG1 4.23Å; I286-I371 HydrophobicContact CG1-CG1 4.19Å; I286-I371 HydrophobicContact CG2-CB 4.41Å; I286-I371 HydrophobicContact CG2-CG1 3.76Å; I371-D373 VanDerWaalsContact C-N 3.34Å
372S90Very high92.5Very high31 Ų3138.6 Ų38.622%0.21723%0.229CC..THydrogen-bonded Turntrans-79.1-12.417455.10000114.8E255 N256 R370 L374E255-S372 WeakPolarHBondContact O-CB 3.47Å; E255-S372 PolarHBondContact O-OG 3.21Å; N256-S372 PolarHBondContact OD1-N 3.38Å; N256-S372 PolarHBondContact OD1-OG 3.39Å; R370-S372 PolarHBondContact O-N 3.44Å; S372-L374 VanDerWaalsContact C-N 3.33Å; S372-L374 PolarHBondContact O-N 3.32Å
373D92.6Very high92.6Very high52 Ų5238.3 Ų38.328%0.27823%0.229SC..  trans-82.678.6178.7175.516.8000109.6H366 S368 S369 R370 I371H366-D373 PolarHBondContact CD2-O 2.97Å; H366-D373 IonicContact CE1-OD1 3.6Å; H366-D373 PolarHBondContact CE1-OD1 2.98Å; H366-D373 VanDerWaalsContact CE1-OD1 3.31Å; H366-D373 IonicContact CE1-OD2 2.93Å; H366-D373 PolarHBondContact NE2-O 3.32Å; H366-D373 IonicContact NE2-OD1 2.73Å; H366-D373 PolarHBondContact NE2-OD1 3.41Å; H366-D373 IonicContact NE2-OD2 3.6Å; S368-D373 WeakPolarHBondContact CB-O 3.4Å; S368-D373 PolarHBondContact OG-O 3.36Å; S369-D373 VanDerWaalsContact CB-OD2 3.31Å; S369-D373 WeakPolarHBondContact CB-OD2 3.44Å; S369-D373 PolarHBondContact N-OD2 3.2Å; S369-D373 PolarHBondContact OG-OD2 3.1Å; R370-D373 HydrophobicContact CB-CB 4.13Å; R370-D373 WeakPolarHBondContact O-CB 3.38Å; R370-D373 PolarHBondContact O-N 3.3Å; R370-D373 VanDerWaalsContact O-N 3.09Å; I371-D373 VanDerWaalsContact C-N 3.34Å
374L92.2Very high92.8Very high28 Ų2836.3 Ų36.315%0.14722%0.215CC..PPolyproline II helixtrans-91.9150.2-179.3-57.1177.3000111.1A182 W185 F259 S372A182-L374 HydrophobicContact CB-CD1 4.17Å; A182-L374 HydrophobicContact CB-CD2 3.74Å; W185-L374 HydrophobicContact CD2-CD1 3.95Å; W185-L374 HydrophobicContact CE3-CD1 3.39Å; W185-L374 HydrophobicContact CG-CD1 4.44Å; W185-L374 HydrophobicContact CZ3-CB 4.24Å; W185-L374 HydrophobicContact CZ3-CD1 3.86Å; F259-L374 HydrophobicContact CZ-CD1 4.17Å; S372-L374 VanDerWaalsContact C-N 3.33Å; S372-L374 PolarHBondContact O-N 3.32Å
375M92.8Very high92.9Very high8 Ų835.6 Ų35.64%0.03921%0.208CC..PPolyproline II helixtrans-62.2134.7176.4-178.2167.538.500110R186 E289 V291 A364 H366 S377 I380R186-M375 PolarHBondContact NH1-O 3.32Å; R186-M375 PolarHBondContact NH2-O 2.93Å; E289-M375 HydrophobicContact CB-CB 4.37Å; E289-M375 HydrophobicContact CB-CE 3.72Å; E289-M375 VanDerWaalsContact OE2-CB 3.24Å; E289-M375 WeakPolarHBondContact OE2-CB 3.36Å; E289-M375 PolarHBondContact OE2-N 3.49Å; V291-M375 HydrophobicContact CG2-CE 4.19Å; A364-M375 HydrophobicContact CB-SD 3.96Å; H366-M375 HydrophobicContact CB-CB 3.89Å; H366-M375 HydrophobicContact CB-CG 4.31Å; H366-M375 HydrophobicContact CB-SD 4.3Å; H366-M375 PolarHBondContact CD2-N 2.95Å; M375-S377 PolarHBondContact O-N 2.87Å; M375-I380 HydrophobicContact CE-CD1 3.91Å; M375-I380 HydrophobicContact CE-CG1 3.43Å; M375-I380 VanDerWaalsContact CE-CG1 3.43Å; M375-I380 HydrophobicContact CG-CG1 4.35Å; M375-I380 HydrophobicContact SD-CG1 4.16Å
376P92.7Very high93Very high82 Ų8233.4 Ų33.453%0.53220%0.198SC..PPolyproline II helixtrans-55.1134.1176-26.535000111.5G378 S379 I380P376-G378 PolarHBondContact O-N 3.22Å; P376-G378 VanDerWaalsContact O-N 3.12Å; P376-S379 WeakPolarHBondContact O-CB 3.4Å; P376-S379 PolarHBondContact O-N 3.46Å; P376-I380 PolarHBondContact O-N 3.29Å
377S92.5Very high92.9Very high35 Ų3532 Ų3225%0.24519%0.193CC..Hα-helixtrans-55.6-33179.9-57.50000112.2R186 E189 M375 S379 I380 Y381R186-S377 PolarHBondContact NH1-OG 2.74Å; E189-S377 PolarHBondContact OE2-OG 2.96Å; M375-S377 PolarHBondContact O-N 2.87Å; S377-S379 VanDerWaalsContact C-N 3.33Å; S377-S379 PolarHBondContact O-N 3.01Å; S377-I380 PolarHBondContact O-N 3.11Å; S377-Y381 PolarHBondContact O-N 2.99Å
378G92.7Very high93Very high51 Ų5131.3 Ų31.353%0.52619%0.187SC..Hα-helixtrans-62-33.8174.100000113.9P376 Y381 Q382P376-G378 PolarHBondContact O-N 3.22Å; P376-G378 VanDerWaalsContact O-N 3.12Å; G378-Y381 PolarHBondContact O-N 3.4Å; G378-Q382 VanDerWaalsContact O-CB 3.22Å; G378-Q382 WeakPolarHBondContact O-CB 3.33Å; G378-Q382 PolarHBondContact O-N 3.41Å
379S92.4Very high93Very high54 Ų5431.3 Ų31.338%0.37819%0.187SC..Hα-helixtrans-69.3-37.6176.7-55.90000112P376 S377 A383P376-S379 WeakPolarHBondContact O-CB 3.4Å; P376-S379 PolarHBondContact O-N 3.46Å; S377-S379 VanDerWaalsContact C-N 3.33Å; S377-S379 PolarHBondContact O-N 3.01Å; S379-A383 WeakPolarHBondContact O-CB 3.39Å; S379-A383 PolarHBondContact O-N 2.7Å
380I93.3Very high92.9Very high6 Ų632.3 Ų32.33%0.03119%0.185CC..Hα-helixtrans-65.4-47173.7-62.8175.1000110.3V170 R186 V291 M375 P376 S377 Q382 A383 A384V170-I380 HydrophobicContact CG1-CD1 4.19Å; V170-I380 HydrophobicContact CG1-CG2 4.36Å; V170-I380 HydrophobicContact CG2-CG2 3.62Å; R186-I380 VanDerWaalsContact CZ-CD1 3.41Å; V291-I380 HydrophobicContact CG2-CG1 4.48Å; V291-I380 HydrophobicContact CG2-CG2 4.48Å; M375-I380 HydrophobicContact CE-CD1 3.91Å; M375-I380 HydrophobicContact CE-CG1 3.43Å; M375-I380 VanDerWaalsContact CE-CG1 3.43Å; M375-I380 HydrophobicContact CG-CG1 4.35Å; M375-I380 HydrophobicContact SD-CG1 4.16Å; P376-I380 PolarHBondContact O-N 3.29Å; S377-I380 PolarHBondContact O-N 3.11Å; I380-Q382 VanDerWaalsContact C-N 3.33Å; I380-Q382 PolarHBondContact O-N 3.41Å; I380-A383 PolarHBondContact O-N 2.83Å; I380-A384 WeakPolarHBondContact O-CB 3.49Å; I380-A384 PolarHBondContact O-N 2.56Å
381Y95.2Very high92.8Very high40 Ų4031.8 Ų31.816%0.15719%0.189CC..Hα-helixtrans-59.2-46.6177.2-175.7-84000111.1D196 L197 F200 S377 G378 A384 L385 M400D196-Y381 HydrophobicContact CB-CE2 3.66Å; D196-Y381 WeakPolarHBondContact OD2-CE2 3.5Å; D196-Y381 PolarHBondContact OD2-OH 2.98Å; L197-Y381 HydrophobicContact CD2-CD2 4.34Å; F200-Y381 HydrophobicContact CE2-CE1 4.38Å; F200-Y381 AromaticContact CE2-CE2 3.9Å; F200-Y381 HydrophobicContact CE2-CE2 3.9Å; F200-Y381 AromaticContact CE2-CZ 3.81Å; S377-Y381 PolarHBondContact O-N 2.99Å; G378-Y381 PolarHBondContact O-N 3.4Å; Y381-A384 PolarHBondContact O-N 3.27Å; Y381-L385 HydrophobicContact CE1-CB 4.44Å; Y381-L385 HydrophobicContact CE1-CD2 4.24Å; Y381-L385 VanDerWaalsContact O-CB 3.32Å; Y381-L385 WeakPolarHBondContact O-CB 3.21Å; Y381-L385 PolarHBondContact O-N 3.02Å; Y381-M400 HydrophobicContact CE1-CE 4.34Å; Y381-M400 HydrophobicContact CE1-SD 3.85Å; Y381-M400 PolarHBondContact OH-SD 2.82Å
382Q94.2Very high92.9Very high80 Ų8036.3 Ų36.337%0.37421%0.21SC..Hα-helixtrans-60.7-47.6178-176.260.340.200111.3G378 I380 A384 L385 T386 E396G378-Q382 VanDerWaalsContact O-CB 3.22Å; G378-Q382 WeakPolarHBondContact O-CB 3.33Å; G378-Q382 PolarHBondContact O-N 3.41Å; I380-Q382 VanDerWaalsContact C-N 3.33Å; I380-Q382 PolarHBondContact O-N 3.41Å; Q382-A384 VanDerWaalsContact C-N 3.33Å; Q382-A384 PolarHBondContact O-N 3.25Å; Q382-L385 WeakPolarHBondContact O-CB 3.4Å; Q382-L385 PolarHBondContact O-N 3.26Å; Q382-T386 PolarHBondContact NE2-OG1 3.45Å; Q382-T386 WeakPolarHBondContact O-CB 3.33Å; Q382-T386 PolarHBondContact O-N 3.47Å; Q382-T386 PolarHBondContact O-OG1 3.32Å; Q382-E396 PolarHBondContact NE2-OE1 3Å; Q382-E396 PolarHBondContact NE2-OE2 3Å
383A93.2Very high93Very high10 Ų1037.6 Ų37.68%0.08322%0.215CC..Hα-helixtrans-59.3-44177.100000111.9V291 C363 A364 S379 I380 T386 C387V291-A383 HydrophobicContact CB-CB 4.15Å; V291-A383 HydrophobicContact CG1-CB 3.97Å; V291-A383 HydrophobicContact CG2-CB 4.14Å; C363-A383 HydrophobicContact CB-CB 4.28Å; A364-A383 HydrophobicContact CB-CB 4.33Å; S379-A383 WeakPolarHBondContact O-CB 3.39Å; S379-A383 PolarHBondContact O-N 2.7Å; I380-A383 PolarHBondContact O-N 2.83Å; A383-T386 PolarHBondContact O-N 3.06Å; A383-C387 PolarHBondContact O-N 3.39Å; A383-C387 PolarHBondContact O-SG 2.99Å
384A95.7Very high92.9Very high0 Ų036.9 Ų36.90%021%0.212CC..Hα-helixtrans-63.4-43.1176.300000112.4L197 F200 V202 I380 Y381 Q382 C387 Y388L197-A384 HydrophobicContact CD2-CB 4.23Å; F200-A384 HydrophobicContact CD2-CB 4.11Å; V202-A384 HydrophobicContact CG2-CB 3.66Å; I380-A384 WeakPolarHBondContact O-CB 3.49Å; I380-A384 PolarHBondContact O-N 2.56Å; Y381-A384 PolarHBondContact O-N 3.27Å; Q382-A384 VanDerWaalsContact C-N 3.33Å; Q382-A384 PolarHBondContact O-N 3.25Å; A384-C387 PolarHBondContact O-N 3.48Å; A384-Y388 WeakPolarHBondContact O-CB 3.43Å; A384-Y388 PolarHBondContact O-N 2.87Å
385L94.8Very high92.8Very high5 Ų535.9 Ų35.93%0.02621%0.207CC..Hα-helixtrans-60.7-47.6175.9176.364.7000111.2F200 Y381 Q382 C387 Y388 A389 E396 V399 M400F200-L385 HydrophobicContact CE1-CD1 4.27Å; F200-L385 HydrophobicContact CE2-CB 4.33Å; F200-L385 HydrophobicContact CE2-CD1 4.45Å; F200-L385 HydrophobicContact CZ-CD1 3.82Å; Y381-L385 HydrophobicContact CE1-CB 4.44Å; Y381-L385 HydrophobicContact CE1-CD2 4.24Å; Y381-L385 VanDerWaalsContact O-CB 3.32Å; Y381-L385 WeakPolarHBondContact O-CB 3.21Å; Y381-L385 PolarHBondContact O-N 3.02Å; Q382-L385 WeakPolarHBondContact O-CB 3.4Å; Q382-L385 PolarHBondContact O-N 3.26Å; L385-C387 PolarHBondContact O-N 3.35Å; L385-Y388 PolarHBondContact O-N 3.06Å; L385-A389 WeakPolarHBondContact O-CB 3.44Å; L385-A389 PolarHBondContact O-N 3.13Å; L385-E396 HydrophobicContact CD2-CB 3.94Å; L385-E396 HydrophobicContact CD2-CG 4.37Å; L385-E396 HydrophobicContact CG-CB 4.03Å; L385-E396 HydrophobicContact CG-CG 4.1Å; L385-V399 HydrophobicContact CD1-CB 3.81Å; L385-V399 HydrophobicContact CD1-CG1 3.5Å; L385-M400 HydrophobicContact CD1-CG 4.18Å; L385-M400 HydrophobicContact CD1-SD 4.13Å; L385-M400 HydrophobicContact CD2-CG 3.71Å; L385-M400 HydrophobicContact CD2-SD 3.86Å
386T92.7Very high92.8Very high24 Ų2438.7 Ų38.715%0.14722%0.22CC..Hα-helixtrans-58.9-46.8176.3-57.20000111.1Q382 A383 Y388 A389 R390 E396Q382-T386 PolarHBondContact NE2-OG1 3.45Å; Q382-T386 WeakPolarHBondContact O-CB 3.33Å; Q382-T386 PolarHBondContact O-N 3.47Å; Q382-T386 PolarHBondContact O-OG1 3.32Å; A383-T386 PolarHBondContact O-N 3.06Å; T386-Y388 PolarHBondContact O-N 3.33Å; T386-A389 PolarHBondContact O-N 3.04Å; T386-R390 HydrophobicContact CG2-CG 4.47Å; T386-R390 VanDerWaalsContact CG2-NE 3.3Å; T386-R390 WeakPolarHBondContact O-CB 3.43Å; T386-R390 VanDerWaalsContact O-CG 3.24Å; T386-R390 WeakPolarHBondContact O-CG 3.28Å; T386-R390 PolarHBondContact O-N 3.31Å; T386-E396 WeakPolarHBondContact CA-OE1 3.25Å; T386-E396 VanDerWaalsContact CB-OE1 3.26Å; T386-E396 WeakPolarHBondContact CB-OE1 3.44Å; T386-E396 WeakPolarHBondContact CG2-OE1 3.48Å; T386-E396 PolarHBondContact OG1-OE1 2.79Å
387C93.1Very high92.7Very high11 Ų1137.2 Ų37.27%0.07421%0.212CC..Hα-helixtrans-58.6-48.3175.7-71.60000111.5M167 C168 A293 C363 A383 A384 L385 R390 T391M167-C387 HydrophobicContact CG-CB 4.19Å; C168-C387 HydrophobicContact CB-CB 4.39Å; A293-C387 VanDerWaalsContact CB-SG 3.57Å; C363-C387 PolarHBondContact SG-SG 3.46Å; A383-C387 PolarHBondContact O-N 3.39Å; A383-C387 PolarHBondContact O-SG 2.99Å; A384-C387 PolarHBondContact O-N 3.48Å; L385-C387 PolarHBondContact O-N 3.35Å; C387-R390 PolarHBondContact O-N 2.69Å; C387-T391 PolarHBondContact O-N 2.79Å; C387-T391 PolarHBondContact O-OG1 3.44Å
388Y94.9Very high92.7Very high32 Ų3238.5 Ų38.513%0.12522%0.216CC..Hα-helixtrans-61.3-47.6179.4-177.2-91.5000111.9M167 Q199 F200 A384 L385 T386 R390 T391 H392 V399M167-Y388 HydrophobicContact CE-CD2 4.45Å; Q199-Y388 WeakPolarHBondContact O-CE2 3.35Å; F200-Y388 HydrophobicContact CB-CD2 4.29Å; F200-Y388 HydrophobicContact CD1-CD1 4.04Å; F200-Y388 AromaticContact CD1-CD2 3.83Å; F200-Y388 HydrophobicContact CD1-CD2 3.83Å; F200-Y388 HydrophobicContact CD1-CE2 4.32Å; F200-Y388 AromaticContact CD1-CG 3.65Å; F200-Y388 HydrophobicContact CD1-CG 3.65Å; F200-Y388 HydrophobicContact CE1-CD1 4.26Å; F200-Y388 HydrophobicContact CE1-CG 4.29Å; F200-Y388 HydrophobicContact CG-CD2 4.48Å; F200-Y388 HydrophobicContact CG-CG 4.39Å; A384-Y388 WeakPolarHBondContact O-CB 3.43Å; A384-Y388 PolarHBondContact O-N 2.87Å; L385-Y388 PolarHBondContact O-N 3.06Å; T386-Y388 PolarHBondContact O-N 3.33Å; Y388-R390 PolarHBondContact O-N 2.88Å; Y388-T391 PolarHBondContact O-N 3Å; Y388-H392 AromaticContact CD1-ND1 3.99Å; Y388-H392 AromaticContact CD2-CE1 3.6Å; Y388-H392 AromaticContact CD2-ND1 3.82Å; Y388-H392 AromaticContact CE1-ND1 3.92Å; Y388-H392 AromaticContact CE2-CE1 3.29Å; Y388-H392 WeakPolarHBondContact CE2-CE1 3.22Å; Y388-H392 AromaticContact CE2-ND1 3.77Å; Y388-H392 AromaticContact CG-ND1 3.95Å; Y388-H392 AromaticContact CZ-CE1 3.62Å; Y388-H392 AromaticContact CZ-ND1 3.82Å; Y388-H392 PolarHBondContact O-N 2.64Å; Y388-H392 VanDerWaalsContact O-N 3.15Å; Y388-H392 PolarHBondContact O-ND1 2.77Å; Y388-V399 HydrophobicContact CD1-CB 4.48Å; Y388-V399 HydrophobicContact CD1-CG1 3.8Å; Y388-V399 HydrophobicContact CD1-CG2 3.78Å; Y388-V399 HydrophobicContact CE1-CG1 3.93Å; Y388-V399 HydrophobicContact CE1-CG2 3.92Å
389A93Very high92.7Very high3 Ų336.4 Ų36.43%0.02519%0.193CC..Hα-helixtrans-60.6-46-179.500000111.8L385 T386 H392 N393 T394 E396 V399L385-A389 WeakPolarHBondContact O-CB 3.44Å; L385-A389 PolarHBondContact O-N 3.13Å; T386-A389 PolarHBondContact O-N 3.04Å; A389-H392 CarbonylContact O-C 3.59Å; A389-H392 PolarHBondContact O-N 3.01Å; A389-N393 PolarHBondContact O-N 2.82Å; A389-N393 VanDerWaalsContact O-N 3.07Å; A389-T394 CarbonylContact C-O 3.49Å; A389-T394 HydrophobicContact CB-CG2 4.2Å; A389-T394 PolarHBondContact O-N 2.93Å; A389-E396 HydrophobicContact CB-CG 4.01Å; A389-V399 HydrophobicContact CB-CG2 4.23Å
390R90.4Very high92.7Very high57 Ų5735.8 Ų35.822%0.21518%0.184CC..Hα-helixtrans-62.8-44.8178.6-73172.1178.5-167.6-11.2112.3W298 E347 T386 C387 Y388 H392 N393W298-R390 HydrophobicContact CB-CB 4.42Å; W298-R390 HydrophobicContact CD2-CG 4.45Å; W298-R390 HydrophobicContact CG-CB 4.42Å; W298-R390 HydrophobicContact CG-CG 4.47Å; E347-R390 VanDerWaalsContact CD-NH2 3.26Å; E347-R390 IonicContact OE1-CZ 2.63Å; E347-R390 VanDerWaalsContact OE1-CZ 3.24Å; E347-R390 IonicContact OE1-NH1 3.56Å; E347-R390 PolarHBondContact OE1-NH1 3.09Å; E347-R390 IonicContact OE1-NH2 2.7Å; E347-R390 PolarHBondContact OE1-NH2 3.48Å; E347-R390 VanDerWaalsContact OE1-NH2 3.1Å; E347-R390 IonicContact OE2-CZ 3.31Å; E347-R390 IonicContact OE2-NH1 3.95Å; E347-R390 IonicContact OE2-NH2 3.86Å; E347-R390 PolarHBondContact OE2-NH2 2.88Å; T386-R390 HydrophobicContact CG2-CG 4.47Å; T386-R390 VanDerWaalsContact CG2-NE 3.3Å; T386-R390 WeakPolarHBondContact O-CB 3.43Å; T386-R390 VanDerWaalsContact O-CG 3.24Å; T386-R390 WeakPolarHBondContact O-CG 3.28Å; T386-R390 PolarHBondContact O-N 3.31Å; C387-R390 PolarHBondContact O-N 2.69Å; Y388-R390 PolarHBondContact O-N 2.88Å; R390-H392 PolarHBondContact O-N 3.33Å; R390-N393 PolarHBondContact O-N 3.38Å; R390-N393 VanDerWaalsContact O-N 3.07Å
391T91.7Very high92.5Very high53 Ų5338.3 Ų38.333%0.32520%0.198SC..Hα-helixtrans-63-31.8179.2-57.40000112.7M167 C387 Y388M167-T391 HydrophobicContact CE-CG2 3.61Å; M167-T391 WeakPolarHBondContact SD-CB 3.4Å; M167-T391 HydrophobicContact SD-CG2 3.65Å; M167-T391 PolarHBondContact SD-OG1 2.85Å; C387-T391 PolarHBondContact O-N 2.79Å; C387-T391 PolarHBondContact O-OG1 3.44Å; Y388-T391 PolarHBondContact O-N 3Å
392H91.7Very high92.2Very high100 Ų10040.8 Ų40.846%0.46321%0.21SC..THydrogen-bonded Turntrans-93.47.3177.6-63.884.3000113.6Y388 A389 R390 T394Y388-H392 AromaticContact CD1-ND1 3.99Å; Y388-H392 AromaticContact CD2-CE1 3.6Å; Y388-H392 AromaticContact CD2-ND1 3.82Å; Y388-H392 AromaticContact CE1-ND1 3.92Å; Y388-H392 AromaticContact CE2-CE1 3.29Å; Y388-H392 WeakPolarHBondContact CE2-CE1 3.22Å; Y388-H392 AromaticContact CE2-ND1 3.77Å; Y388-H392 AromaticContact CG-ND1 3.95Å; Y388-H392 AromaticContact CZ-CE1 3.62Å; Y388-H392 AromaticContact CZ-ND1 3.82Å; Y388-H392 PolarHBondContact O-N 2.64Å; Y388-H392 VanDerWaalsContact O-N 3.15Å; Y388-H392 PolarHBondContact O-ND1 2.77Å; A389-H392 CarbonylContact O-C 3.59Å; A389-H392 PolarHBondContact O-N 3.01Å; R390-H392 PolarHBondContact O-N 3.33Å; H392-T394 HydrophobicContact CB-CG2 3.99Å; H392-T394 PolarHBondContact O-N 3.09Å
393N91.6Very high92.1Very high59 Ų5937.2 Ų37.232%0.31619%0.193SC..THydrogen-bonded Turntrans52.139.3-178.4-99.8-36.1000113.4W298 N299 A389 R390W298-N393 WeakPolarHBondContact CA-OD1 3.46Å; N299-N393 PolarHBondContact N-OD1 3.28Å; A389-N393 PolarHBondContact O-N 2.82Å; A389-N393 VanDerWaalsContact O-N 3.07Å; R390-N393 PolarHBondContact O-N 3.38Å; R390-N393 VanDerWaalsContact O-N 3.07Å
394T91.1Very high91.8Very high37 Ų3743.2 Ų43.223%0.22721%0.214CC..  trans-124.9175.5-178.9-1690000110.2A389 H392 D398 V399A389-T394 CarbonylContact C-O 3.49Å; A389-T394 HydrophobicContact CB-CG2 4.2Å; A389-T394 PolarHBondContact O-N 2.93Å; H392-T394 HydrophobicContact CB-CG2 3.99Å; H392-T394 PolarHBondContact O-N 3.09Å; T394-D398 WeakPolarHBondContact OG1-CB 3.39Å; T394-D398 PolarHBondContact OG1-OD2 3.32Å; T394-V399 HydrophobicContact CG2-CG2 3.55Å
395T90.2Very high91.3Very high7 Ų747.7 Ų47.74%0.04323%0.23CC..  trans-92.5158.817165.30000112.8T303 S306 S397 D398 V399T303-T395 HydrophobicContact CG2-CG2 3.93Å; T303-T395 WeakPolarHBondContact O-CG2 3.36Å; S306-T395 WeakPolarHBondContact OG-CG2 3.19Å; S306-T395 PolarHBondContact OG-OG1 3.13Å; T395-S397 PolarHBondContact O-N 3.47Å; T395-D398 PolarHBondContact N-OD2 3.05Å; T395-D398 PolarHBondContact O-N 3.25Å; T395-D398 PolarHBondContact OG1-N 2.97Å; T395-D398 PolarHBondContact OG1-OD2 3.01Å; T395-V399 WeakPolarHBondContact O-CG2 3.44Å; T395-V399 PolarHBondContact O-N 3.32Å; T395-V399 VanDerWaalsContact O-N 3.16Å
396E92Very high91Very high67 Ų6751 Ų5131%0.31325%0.248SC..Hα-helixtrans-58.8-38.6170-60.1175.7176.600111.3Q382 L385 T386 A389 V399 M400Q382-E396 PolarHBondContact NE2-OE1 3Å; Q382-E396 PolarHBondContact NE2-OE2 3Å; L385-E396 HydrophobicContact CD2-CB 3.94Å; L385-E396 HydrophobicContact CD2-CG 4.37Å; L385-E396 HydrophobicContact CG-CB 4.03Å; L385-E396 HydrophobicContact CG-CG 4.1Å; T386-E396 WeakPolarHBondContact CA-OE1 3.25Å; T386-E396 VanDerWaalsContact CB-OE1 3.26Å; T386-E396 WeakPolarHBondContact CB-OE1 3.44Å; T386-E396 WeakPolarHBondContact CG2-OE1 3.48Å; T386-E396 PolarHBondContact OG1-OE1 2.79Å; A389-E396 HydrophobicContact CB-CG 4.01Å; E396-V399 PolarHBondContact O-N 2.99Å; E396-M400 WeakPolarHBondContact O-CB 3.4Å; E396-M400 VanDerWaalsContact O-CG 3.32Å; E396-M400 WeakPolarHBondContact O-CG 3.47Å; E396-M400 PolarHBondContact O-N 2.81Å
397S90.9Very high90.7Very high51 Ų5156 Ų5636%0.35726%0.264SS..Hα-helixtrans-58.3-49.6174.9-55.10000111.6T395 V399 M400 D401T395-S397 PolarHBondContact O-N 3.47Å; S397-V399 VanDerWaalsContact C-N 3.29Å; S397-V399 PolarHBondContact O-N 3.29Å; S397-M400 PolarHBondContact O-N 3.02Å; S397-D401 WeakPolarHBondContact O-CB 3.49Å; S397-D401 PolarHBondContact O-N 2.82Å
398D91.3Very high90.3Very high62 Ų6257.9 Ų57.933%0.33227%0.27SS..Hα-helixtrans-60.3-39.8178.9-64.6-45.8000111.8S306 T394 T395 K402S306-D398 WeakPolarHBondContact CB-OD2 3.19Å; S306-D398 PolarHBondContact OG-OD2 3.1Å; T394-D398 WeakPolarHBondContact OG1-CB 3.39Å; T394-D398 PolarHBondContact OG1-OD2 3.32Å; T395-D398 PolarHBondContact N-OD2 3.05Å; T395-D398 PolarHBondContact O-N 3.25Å; T395-D398 PolarHBondContact OG1-N 2.97Å; T395-D398 PolarHBondContact OG1-OD2 3.01Å; D398-K402 WeakPolarHBondContact O-CB 3.35Å; D398-K402 PolarHBondContact O-N 2.85Å
399V93.1Very high90Very high6 Ų657.2 Ų57.24%0.03627%0.268CS..Hα-helixtrans-67.7-45.6177.21770000110.8F200 L385 Y388 A389 T394 T395 E396 S397 K402 I403F200-V399 HydrophobicContact CE1-CG1 3.73Å; F200-V399 HydrophobicContact CZ-CG1 4.26Å; L385-V399 HydrophobicContact CD1-CB 3.81Å; L385-V399 HydrophobicContact CD1-CG1 3.5Å; Y388-V399 HydrophobicContact CD1-CB 4.48Å; Y388-V399 HydrophobicContact CD1-CG1 3.8Å; Y388-V399 HydrophobicContact CD1-CG2 3.78Å; Y388-V399 HydrophobicContact CE1-CG1 3.93Å; Y388-V399 HydrophobicContact CE1-CG2 3.92Å; A389-V399 HydrophobicContact CB-CG2 4.23Å; T394-V399 HydrophobicContact CG2-CG2 3.55Å; T395-V399 WeakPolarHBondContact O-CG2 3.44Å; T395-V399 PolarHBondContact O-N 3.32Å; T395-V399 VanDerWaalsContact O-N 3.16Å; E396-V399 PolarHBondContact O-N 2.99Å; S397-V399 VanDerWaalsContact C-N 3.29Å; S397-V399 PolarHBondContact O-N 3.29Å; V399-K402 WeakPolarHBondContact O-CB 3.37Å; V399-K402 PolarHBondContact O-N 3.12Å; V399-I403 HydrophobicContact CG1-CD1 4.13Å; V399-I403 WeakPolarHBondContact O-CG1 3.28Å; V399-I403 PolarHBondContact O-N 3.09Å
400M92.3Very high89.7Confident41 Ų4160 Ų6020%0.20229%0.287CS..Hα-helixtrans-66.4-37.6178.4-71.9-58.9-64.500112Y381 L385 E396 S397 K402 I403 R404Y381-M400 HydrophobicContact CE1-CE 4.34Å; Y381-M400 HydrophobicContact CE1-SD 3.85Å; Y381-M400 PolarHBondContact OH-SD 2.82Å; L385-M400 HydrophobicContact CD1-CG 4.18Å; L385-M400 HydrophobicContact CD1-SD 4.13Å; L385-M400 HydrophobicContact CD2-CG 3.71Å; L385-M400 HydrophobicContact CD2-SD 3.86Å; E396-M400 WeakPolarHBondContact O-CB 3.4Å; E396-M400 VanDerWaalsContact O-CG 3.32Å; E396-M400 WeakPolarHBondContact O-CG 3.47Å; E396-M400 PolarHBondContact O-N 2.81Å; S397-M400 PolarHBondContact O-N 3.02Å; M400-K402 VanDerWaalsContact C-N 3.31Å; M400-I403 PolarHBondContact O-N 3.09Å; M400-I403 HydrophobicContact SD-CD1 4.22Å; M400-R404 WeakPolarHBondContact O-CB 3.46Å; M400-R404 VanDerWaalsContact O-CG 3.26Å; M400-R404 WeakPolarHBondContact O-CG 3.37Å; M400-R404 PolarHBondContact O-N 2.89Å
401D89.4Confident89.6Confident60 Ų6059.1 Ų59.132%0.32129%0.286SS..Hα-helixtrans-65.2-37.6174-75.1-15.8000111.4S397 R404 R405S397-D401 WeakPolarHBondContact O-CB 3.49Å; S397-D401 PolarHBondContact O-N 2.82Å; D401-R404 IonicContact OD1-CZ 3.92Å; D401-R404 IonicContact OD1-NH1 3.71Å; D401-R404 PolarHBondContact OD1-NH1 2.75Å; D401-R405 WeakPolarHBondContact O-CB 3.34Å; D401-R405 PolarHBondContact O-N 3.09Å
402K89.9Confident89.4Confident92 Ų9259.8 Ų59.840%0.429%0.291SS..Hα-helixtrans-60.5-48.8170.3-173.5-177.3174.1-172.30111.8D398 V399 M400 R404 R405 D406D398-K402 WeakPolarHBondContact O-CB 3.35Å; D398-K402 PolarHBondContact O-N 2.85Å; V399-K402 WeakPolarHBondContact O-CB 3.37Å; V399-K402 PolarHBondContact O-N 3.12Å; M400-K402 VanDerWaalsContact C-N 3.31Å; K402-R404 PolarHBondContact O-N 2.7Å; K402-R405 WeakPolarHBondContact O-CB 3.3Å; K402-R405 PolarHBondContact O-N 3.26Å; K402-D406 WeakPolarHBondContact O-CB 3.24Å; K402-D406 PolarHBondContact O-N 3.11Å
403I90.2Very high89.2Confident5 Ų557 Ų573%0.02628%0.282CS..Hα-helixtrans-62.1-46179.1-67.6166.8000111.5F200 V399 M400 R405 D406 R407F200-I403 HydrophobicContact CE1-CD1 3.74Å; F200-I403 HydrophobicContact CZ-CD1 3.48Å; F200-I403 VanDerWaalsContact CZ-CD1 3.48Å; V399-I403 HydrophobicContact CG1-CD1 4.13Å; V399-I403 WeakPolarHBondContact O-CG1 3.28Å; V399-I403 PolarHBondContact O-N 3.09Å; M400-I403 PolarHBondContact O-N 3.09Å; M400-I403 HydrophobicContact SD-CD1 4.22Å; I403-R405 VanDerWaalsContact C-N 3.3Å; I403-R405 PolarHBondContact O-N 3.14Å; I403-D406 PolarHBondContact O-N 2.99Å; I403-R407 WeakPolarHBondContact O-CG 3.19Å; I403-R407 PolarHBondContact O-N 2.84Å
404R88.5Confident89Confident136 Ų13659.3 Ų59.351%0.51329%0.291SS..Hα-helixtrans-58.5-44.8176.1-72.3175.1-165.1116.22.7110.9M400 D401 K402 R407 R408M400-R404 WeakPolarHBondContact O-CB 3.46Å; M400-R404 VanDerWaalsContact O-CG 3.26Å; M400-R404 WeakPolarHBondContact O-CG 3.37Å; M400-R404 PolarHBondContact O-N 2.89Å; D401-R404 IonicContact OD1-CZ 3.92Å; D401-R404 IonicContact OD1-NH1 3.71Å; D401-R404 PolarHBondContact OD1-NH1 2.75Å; K402-R404 PolarHBondContact O-N 2.7Å; R404-R407 PolarHBondContact O-N 2.85Å; R404-R408 WeakPolarHBondContact O-CB 3.3Å; R404-R408 PolarHBondContact O-N 2.88Å
405R85.6Confident88.7Confident93 Ų9362.6 Ų62.635%0.35132%0.316SS..Hα-helixtrans-61.7-48.2177.5-172-175.4-57.3101.31.1111.3D401 K402 I403 R407 R408 F409D401-R405 WeakPolarHBondContact O-CB 3.34Å; D401-R405 PolarHBondContact O-N 3.09Å; K402-R405 WeakPolarHBondContact O-CB 3.3Å; K402-R405 PolarHBondContact O-N 3.26Å; I403-R405 VanDerWaalsContact C-N 3.3Å; I403-R405 PolarHBondContact O-N 3.14Å; R405-R407 PolarHBondContact O-N 3.14Å; R405-R408 WeakPolarHBondContact O-CB 3.42Å; R405-R408 PolarHBondContact O-N 3.29Å; R405-F409 HydrophobicContact CG-CD2 3.47Å; R405-F409 VanDerWaalsContact CG-CD2 3.47Å; R405-F409 HydrophobicContact CG-CE2 3.26Å; R405-F409 WeakPolarHBondContact O-CB 3.42Å; R405-F409 WeakPolarHBondContact O-CD2 3.39Å; R405-F409 PolarHBondContact O-N 2.76Å
406D86.5Confident88.7Confident76 Ų7667.2 Ų67.241%0.40636%0.355SS..Hα-helixtrans-63.2-41.3-179.3-67.8-15.9000111.3K402 I403 F409 S410K402-D406 WeakPolarHBondContact O-CB 3.24Å; K402-D406 PolarHBondContact O-N 3.11Å; I403-D406 PolarHBondContact O-N 2.99Å; D406-F409 PolarHBondContact O-N 2.83Å; D406-S410 PolarHBondContact O-N 3.1Å; D406-S410 VanDerWaalsContact O-N 3.12Å; D406-S410 PolarHBondContact O-OG 3.34Å
407R86.4Confident88.6Confident128 Ų12865.8 Ų65.848%0.48335%0.346SS..Hα-helixtrans-64.2-47.9173.9-71.4176.5-178.9-171.5-0.6112.4D196 I403 R404 R405 F409 S410 I411D196-R407 IonicContact OD1-CZ 3.32Å; D196-R407 IonicContact OD1-NE 2.74Å; D196-R407 IonicContact OD1-NH2 2.61Å; D196-R407 PolarHBondContact OD1-NH2 2.87Å; D196-R407 IonicContact OD2-CZ 3.39Å; D196-R407 IonicContact OD2-NH2 2.7Å; D196-R407 PolarHBondContact OD2-NH2 3.18Å; I403-R407 WeakPolarHBondContact O-CG 3.19Å; I403-R407 PolarHBondContact O-N 2.84Å; R404-R407 PolarHBondContact O-N 2.85Å; R405-R407 PolarHBondContact O-N 3.14Å; R407-F409 PolarHBondContact O-N 3.46Å; R407-S410 PolarHBondContact O-N 3.46Å; R407-S410 PolarHBondContact O-OG 2.88Å; R407-I411 WeakPolarHBondContact O-CG1 3.18Å
408R86.6Confident88.5Confident50 Ų5065 Ų6519%0.18934%0.338CS..Hα-helixtrans-54.6-40.8175.5177.8-170.9158.9168.410.3110.7R404 R405 T432 A433 L434 D445R404-R408 WeakPolarHBondContact O-CB 3.3Å; R404-R408 PolarHBondContact O-N 2.88Å; R405-R408 WeakPolarHBondContact O-CB 3.42Å; R405-R408 PolarHBondContact O-N 3.29Å; R408-T432 WeakPolarHBondContact CD-O 3.49Å; R408-T432 WeakPolarHBondContact CG-O 3.44Å; R408-T432 PolarHBondContact NE-O 3.26Å; R408-T432 PolarHBondContact NH2-O 3.41Å; R408-A433 PolarHBondContact NH2-O 2.69Å; R408-L434 VanDerWaalsContact NH2-CD2 3.35Å; R408-D445 IonicContact NH1-OD1 2.7Å; R408-D445 IonicContact NH2-OD1 3.23Å
409F87Confident88.5Confident18 Ų1867.5 Ų67.58%0.07935%0.348CS..THydrogen-bonded Turntrans-84.4-0.7179.6-71.9-60.4000115.2R405 D406 R407 L434 Y452 R460 Y461R405-F409 HydrophobicContact CG-CD2 3.47Å; R405-F409 VanDerWaalsContact CG-CD2 3.47Å; R405-F409 HydrophobicContact CG-CE2 3.26Å; R405-F409 WeakPolarHBondContact O-CB 3.42Å; R405-F409 WeakPolarHBondContact O-CD2 3.39Å; R405-F409 PolarHBondContact O-N 2.76Å; D406-F409 PolarHBondContact O-N 2.83Å; R407-F409 PolarHBondContact O-N 3.46Å; F409-L434 HydrophobicContact CD1-CD1 4.09Å; F409-L434 HydrophobicContact CE1-CD1 3.78Å; F409-L434 HydrophobicContact CE1-CD2 3.92Å; F409-L434 HydrophobicContact CE1-CG 4.34Å; F409-L434 HydrophobicContact CZ-CD2 4.4Å; F409-Y452 HydrophobicContact CD1-CD1 4.48Å; F409-Y452 AromaticContact CE1-CD1 3.91Å; F409-Y452 HydrophobicContact CE1-CD1 3.91Å; F409-Y452 HydrophobicContact CE1-CD2 4.01Å; F409-Y452 AromaticContact CE1-CE1 3.87Å; F409-Y452 HydrophobicContact CE1-CE1 3.87Å; F409-Y452 AromaticContact CE1-CE2 3.98Å; F409-Y452 HydrophobicContact CE1-CE2 3.98Å; F409-Y452 AromaticContact CE1-CG 3.99Å; F409-Y452 HydrophobicContact CE1-CG 3.99Å; F409-Y452 AromaticContact CE1-CZ 3.91Å; F409-Y452 HydrophobicContact CE2-CE1 4.36Å; F409-Y452 HydrophobicContact CZ-CD1 4.29Å; F409-Y452 HydrophobicContact CZ-CD2 4.3Å; F409-Y452 AromaticContact CZ-CE1 3.77Å; F409-Y452 HydrophobicContact CZ-CE1 3.77Å; F409-Y452 AromaticContact CZ-CE2 3.8Å; F409-Y452 HydrophobicContact CZ-CE2 3.8Å; F409-Y452 AromaticContact CZ-CZ 3.5Å; F409-R460 CarbonylContact O-C 3.55Å; F409-R460 VanDerWaalsContact O-CA 3.23Å; F409-R460 WeakPolarHBondContact O-CA 3.26Å; F409-R460 WeakPolarHBondContact O-CB 3.31Å; F409-Y461 HydrophobicContact CB-CD2 4.28Å; F409-Y461 VanDerWaalsContact CD1-CB 3.49Å; F409-Y461 AromaticContact CD1-CD2 3.86Å; F409-Y461 HydrophobicContact CD1-CD2 3.86Å; F409-Y461 AromaticContact CD1-CG 3.87Å; F409-Y461 HydrophobicContact CD1-CG 3.87Å; F409-Y461 WeakPolarHBondContact O-CD2 3.15Å; F409-Y461 PolarHBondContact O-N 3.2Å
410S87.4Confident88.5Confident63 Ų6373.7 Ų73.744%0.44137%0.371SS..THydrogen-bonded Turntrans-99.4-3.8171.462.10000113.9D406 R407 P412D406-S410 PolarHBondContact O-N 3.1Å; D406-S410 VanDerWaalsContact O-N 3.12Å; D406-S410 PolarHBondContact O-OG 3.34Å; R407-S410 PolarHBondContact O-N 3.46Å; R407-S410 PolarHBondContact O-OG 2.88Å; S410-P412 WeakPolarHBondContact O-CD 3.48Å
411I87.5Confident88.3Confident38 Ų3875 Ų7520%0.19538%0.377CS..SBendtrans-83.1120.4-178.9-64.6163.2000108.9R407 E431 T432 W454 Y461R407-I411 WeakPolarHBondContact O-CG1 3.18Å; I411-E431 HydrophobicContact CD1-CG 3.91Å; I411-E431 HydrophobicContact CG2-CG 4.35Å; I411-E431 WeakPolarHBondContact CG2-OE1 3.5Å; I411-T432 HydrophobicContact CB-CG2 4Å; I411-T432 HydrophobicContact CG2-CG2 4.13Å; I411-W454 WeakPolarHBondContact O-CZ3 3.32Å; I411-Y461 WeakPolarHBondContact O-CE2 3.38Å
412P87.9Confident88.3Confident66 Ų6676 Ų7643%0.42939%0.394SS..PPolyproline II helixtrans-56.8145178.6-24.534.3000112.8S410 E414 R417 W454S410-P412 WeakPolarHBondContact O-CD 3.48Å; P412-E414 PolarHBondContact O-N 3.44Å; P412-R417 PolarHBondContact O-NH2 3.34Å; P412-W454 VanDerWaalsContact CA-CH2 3.44Å; P412-W454 HydrophobicContact CB-CH2 4.03Å; P412-W454 HydrophobicContact CB-CZ2 3.78Å; P412-W454 HydrophobicContact CG-CH2 3.91Å; P412-W454 HydrophobicContact CG-CZ2 3.87Å
413P86.8Confident88.2Confident41 Ų4177.3 Ų77.327%0.26641%0.41SS..PPolyproline II helixtrans-67.9122.7171.626.5-32.1000109.7F443 W454 Y461P413-F443 HydrophobicContact CB-CE1 3.89Å; P413-F443 HydrophobicContact CB-CE2 4.39Å; P413-F443 HydrophobicContact CB-CZ 3.46Å; P413-F443 VanDerWaalsContact CB-CZ 3.46Å; P413-F443 HydrophobicContact CG-CZ 4.05Å; P413-W454 VanDerWaalsContact CD-CG 3.46Å; P413-W454 HydrophobicContact CG-CB 3.88Å; P413-W454 HydrophobicContact CG-CD2 3.98Å; P413-W454 HydrophobicContact CG-CG 3.62Å; P413-Y461 WeakPolarHBondContact CB-OH 3.48Å
414E87.5Confident88Confident108 Ų10880.5 Ų80.551%0.50543%0.43SS..  trans-113.8118.5175.8-71.1-173.7-176.900110.2P412 A416 R417P412-E414 PolarHBondContact O-N 3.44Å; E414-A416 PolarHBondContact O-N 2.81Å; E414-A416 VanDerWaalsContact O-N 3.15Å; E414-R417 HydrophobicContact CB-CB 4.37Å; E414-R417 PolarHBondContact O-N 3.12Å; E414-R417 VanDerWaalsContact O-N 3.09Å
415S86.2Confident88.1Confident107 Ų10775.5 Ų75.575%0.74842%0.42SS*.THydrogen-bonded Turntrans-60.4-28.1-177.6-52.30000113.4R417S415-R417 VanDerWaalsContact C-N 3.28Å; S415-R417 PolarHBondContact O-N 3.22Å
416A89Confident88.4Confident104 Ų10472.5 Ų72.586%0.8641%0.411SS*.THydrogen-bonded Turntrans-71.4-20.4179.600000113.8E414E414-A416 PolarHBondContact O-N 2.81Å; E414-A416 VanDerWaalsContact O-N 3.15Å
417R89.6Confident88.7Confident36 Ų3672.9 Ų72.914%0.13641%0.408CS..THydrogen-bonded Turntrans-92.4-15.8-177.4-16417365-145.4-9.2112.7P412 E414 S415 D429 P430 E431P412-R417 PolarHBondContact O-NH2 3.34Å; E414-R417 HydrophobicContact CB-CB 4.37Å; E414-R417 PolarHBondContact O-N 3.12Å; E414-R417 VanDerWaalsContact O-N 3.09Å; S415-R417 VanDerWaalsContact C-N 3.28Å; S415-R417 PolarHBondContact O-N 3.22Å; R417-D429 IonicContact CZ-OD1 2.88Å; R417-D429 IonicContact CZ-OD2 3.84Å; R417-D429 IonicContact NE-OD1 3.59Å; R417-D429 PolarHBondContact NE-OD1 2.72Å; R417-D429 IonicContact NE-OD2 3.74Å; R417-D429 IonicContact NH2-OD1 2.74Å; R417-D429 PolarHBondContact NH2-OD1 3.26Å; R417-D429 IonicContact NH2-OD2 3.65Å; R417-D429 PolarHBondContact NH2-OD2 3Å; R417-P430 HydrophobicContact CG-CG 3.89Å; R417-P430 VanDerWaalsContact O-CD 3.27Å; R417-P430 WeakPolarHBondContact O-CD 3.26Å; R417-E431 VanDerWaalsContact CD-OE2 3.32Å; R417-E431 WeakPolarHBondContact CD-OE2 3.16Å; R417-E431 IonicContact CZ-OE2 3.06Å; R417-E431 VanDerWaalsContact CZ-OE2 3.31Å; R417-E431 VanDerWaalsContact NE-CB 3.27Å; R417-E431 IonicContact NE-OE2 3.93Å; R417-E431 IonicContact NH1-OE1 3.49Å; R417-E431 PolarHBondContact NH1-OE1 3.48Å; R417-E431 IonicContact NH1-OE2 2.59Å; R417-E431 PolarHBondContact NH1-OE2 2.91Å
418L89.7Confident89Confident36 Ų3670 Ų7019%0.18840%0.397CS..  trans-68.8127.4-177.7-69.9-177000112.1Y427 D429 Y436L418-Y427 HydrophobicContact CB-CD1 4.23Å; L418-D429 HydrophobicContact CD2-CB 3.77Å; L418-Y436 HydrophobicContact CD1-CD1 4Å; L418-Y436 HydrophobicContact CD1-CG 4.37Å
419Q91.4Very high89.3Confident114 Ų11467.6 Ų67.653%0.53339%0.388SS..EExtended strand (participates in β ladder)trans-108.7118.1178.9-62.7179.90.800109.5E421 Y427 Y428Q419-E421 PolarHBondContact O-N 2.93Å; Q419-Y427 CarbonylContact O-C 3.49Å; Q419-Y427 WeakPolarHBondContact O-CA 3.36Å; Q419-Y428 PolarHBondContact N-O 3.45Å; Q419-Y428 PolarHBondContact O-N 2.9Å
420Y92.5Very high89.3Confident135 Ų13569.4 Ų69.453%0.52940%0.401SS..EExtended strand (participates in β ladder)trans-68.4127.4178.8-177.9-108.8000111.2A422 Y427Y420-A422 HydrophobicContact CE1-CB 4.05Å; Y420-Y427 HydrophobicContact CD2-CD1 4.13Å; Y420-Y427 HydrophobicContact CD2-CD2 4.13Å; Y420-Y427 AromaticContact CD2-CE1 3.78Å; Y420-Y427 HydrophobicContact CD2-CE1 3.78Å; Y420-Y427 AromaticContact CD2-CE2 3.77Å; Y420-Y427 HydrophobicContact CD2-CE2 3.77Å; Y420-Y427 HydrophobicContact CD2-CG 4.3Å; Y420-Y427 AromaticContact CD2-CZ 3.59Å; Y420-Y427 HydrophobicContact CE2-CE2 4.25Å; Y420-Y427 HydrophobicContact CG-CE1 4.18Å
421E89.4Confident89.3Confident68 Ų6871.3 Ų71.332%0.31840%0.403SS..EExtended strand (participates in β ladder)trans-109.4110.6175.3-161.1-167.1-169.700110.3Q419 T423 T424 G425 L426 Y435Q419-E421 PolarHBondContact O-N 2.93Å; E421-T423 VanDerWaalsContact C-N 3.26Å; E421-T423 VanDerWaalsContact CD-OG1 3.23Å; E421-T423 WeakPolarHBondContact CG-OG1 3.42Å; E421-T423 PolarHBondContact O-N 3Å; E421-T423 PolarHBondContact OE1-OG1 3.31Å; E421-T424 PolarHBondContact O-N 3.15Å; E421-T424 PolarHBondContact O-OG1 3.32Å; E421-T424 WeakPolarHBondContact OE2-CG2 3.47Å; E421-T424 PolarHBondContact OE2-OG1 2.82Å; E421-G425 PolarHBondContact O-N 2.81Å; E421-L426 PolarHBondContact N-O 2.73Å; E421-Y435 VanDerWaalsContact OE2-CE1 3.27Å; E421-Y435 WeakPolarHBondContact OE2-CE1 3.36Å
422A88.4Confident89.3Confident82 Ų8269.5 Ų69.568%0.67839%0.394SS*.THydrogen-bonded Turntrans-67.5-22.5-173.200000114.3Y420Y420-A422 HydrophobicContact CE1-CB 4.05Å
423T87.3Confident89.4Confident119 Ų11967.6 Ų67.673%0.7338%0.384SS*.THydrogen-bonded Turntrans-72.2-39.1-179.347.50000112.2E421E421-T423 VanDerWaalsContact C-N 3.26Å; E421-T423 VanDerWaalsContact CD-OG1 3.23Å; E421-T423 WeakPolarHBondContact CG-OG1 3.42Å; E421-T423 PolarHBondContact O-N 3Å; E421-T423 PolarHBondContact OE1-OG1 3.31Å
424T87.4Confident89.7Confident73 Ų7365.7 Ų65.745%0.44837%0.372SS..THydrogen-bonded Turntrans-98.6-22.7-177.957.10000112.1E421 L426E421-T424 PolarHBondContact O-N 3.15Å; E421-T424 PolarHBondContact O-OG1 3.32Å; E421-T424 WeakPolarHBondContact OE2-CG2 3.47Å; E421-T424 PolarHBondContact OE2-OG1 2.82Å; T424-L426 PolarHBondContact O-N 3.3Å; T424-L426 PolarHBondContact OG1-N 3.25Å
425G90Very high89.9Confident31 Ų3162.8 Ų62.832%0.3236%0.356SS..THydrogen-bonded Turntrans73.68.7-17100000113.2E421E421-G425 PolarHBondContact O-N 2.81Å
426L91.6Very high90.3Very high29 Ų2960.7 Ų60.715%0.15233%0.333CS..EExtended strand (participates in β ladder)trans-102.6163.5-179.6-56.2177000110.5E421 T424 Y435 D437E421-L426 PolarHBondContact N-O 2.73Å; T424-L426 PolarHBondContact O-N 3.3Å; T424-L426 PolarHBondContact OG1-N 3.25Å; L426-Y435 HydrophobicContact CB-CD1 4.23Å; L426-Y435 HydrophobicContact CD1-CG 4.37Å; L426-D437 HydrophobicContact CD2-CB 3.61Å
427Y93.2Very high90.4Very high85 Ų8556.5 Ų56.533%0.33330%0.296SS..EExtended strand (participates in β ladder)trans-103.2113.7175.2-70-99.7000110.1L418 Q419 Y420 Y435 Y436 P438L418-Y427 HydrophobicContact CB-CD1 4.23Å; Q419-Y427 CarbonylContact O-C 3.49Å; Q419-Y427 WeakPolarHBondContact O-CA 3.36Å; Y420-Y427 HydrophobicContact CD2-CD1 4.13Å; Y420-Y427 HydrophobicContact CD2-CD2 4.13Å; Y420-Y427 AromaticContact CD2-CE1 3.78Å; Y420-Y427 HydrophobicContact CD2-CE1 3.78Å; Y420-Y427 AromaticContact CD2-CE2 3.77Å; Y420-Y427 HydrophobicContact CD2-CE2 3.77Å; Y420-Y427 HydrophobicContact CD2-CG 4.3Å; Y420-Y427 AromaticContact CD2-CZ 3.59Å; Y420-Y427 HydrophobicContact CE2-CE2 4.25Å; Y420-Y427 HydrophobicContact CG-CE1 4.18Å; Y427-Y435 CarbonylContact O-C 3.59Å; Y427-Y435 WeakPolarHBondContact O-CA 3.43Å; Y427-Y436 HydrophobicContact CD2-CD1 4.43Å; Y427-Y436 PolarHBondContact N-O 2.75Å; Y427-Y436 PolarHBondContact O-N 2.83Å; Y427-P438 HydrophobicContact CD2-CG 4.17Å; Y427-P438 HydrophobicContact CE2-CB 4.31Å; Y427-P438 HydrophobicContact CE2-CG 3.92Å
428Y92.9Very high90.3Very high66 Ų6657.9 Ų57.926%0.25931%0.309SS..EExtended strand (participates in β ladder)trans-78.5129.6177.5179.4-110.9000111.3Q419 P430 A433 Y435Q419-Y428 PolarHBondContact N-O 3.45Å; Q419-Y428 PolarHBondContact O-N 2.9Å; Y428-P430 VanDerWaalsContact CE1-CA 3.49Å; Y428-P430 HydrophobicContact CE1-CB 4.04Å; Y428-A433 HydrophobicContact CE2-CB 4.24Å; Y428-Y435 HydrophobicContact CD2-CD1 4.04Å; Y428-Y435 HydrophobicContact CD2-CD2 4.35Å; Y428-Y435 AromaticContact CD2-CE1 3.62Å; Y428-Y435 HydrophobicContact CD2-CE1 3.62Å; Y428-Y435 AromaticContact CD2-CE2 3.96Å; Y428-Y435 HydrophobicContact CD2-CE2 3.96Å; Y428-Y435 HydrophobicContact CD2-CG 4.39Å; Y428-Y435 AromaticContact CD2-CZ 3.57Å; Y428-Y435 HydrophobicContact CE2-CE2 4.28Å; Y428-Y435 HydrophobicContact CG-CE1 4.12Å
429D91.7Very high90.2Very high0 Ų063.9 Ų63.90%034%0.341CS..  trans-96.4112.6169.1-177.3-8.1000109.7R417 L418 E431 T432 A433 L434R417-D429 IonicContact CZ-OD1 2.88Å; R417-D429 IonicContact CZ-OD2 3.84Å; R417-D429 IonicContact NE-OD1 3.59Å; R417-D429 PolarHBondContact NE-OD1 2.72Å; R417-D429 IonicContact NE-OD2 3.74Å; R417-D429 IonicContact NH2-OD1 2.74Å; R417-D429 PolarHBondContact NH2-OD1 3.26Å; R417-D429 IonicContact NH2-OD2 3.65Å; R417-D429 PolarHBondContact NH2-OD2 3Å; L418-D429 HydrophobicContact CD2-CB 3.77Å; D429-E431 VanDerWaalsContact C-N 3.26Å; D429-E431 PolarHBondContact O-N 3.39Å; D429-E431 PolarHBondContact OD1-N 3.03Å; D429-T432 VanDerWaalsContact CB-OG1 3.26Å; D429-T432 WeakPolarHBondContact CB-OG1 3.22Å; D429-T432 PolarHBondContact OD1-N 3.3Å; D429-T432 WeakPolarHBondContact OD2-CB 3.32Å; D429-T432 VanDerWaalsContact OD2-CG2 3.27Å; D429-T432 WeakPolarHBondContact OD2-CG2 3.47Å; D429-T432 PolarHBondContact OD2-OG1 2.96Å; D429-A433 WeakPolarHBondContact O-CA 3.44Å; D429-A433 PolarHBondContact O-N 2.91Å; D429-L434 PolarHBondContact N-O 3.44Å
430P88.8Confident89.9Confident56 Ų5665.7 Ų65.736%0.36434%0.343SS..THydrogen-bonded Turntrans-65.5-24.6-179.526.3-35.5000114.5R417 Y428R417-P430 HydrophobicContact CG-CG 3.89Å; R417-P430 VanDerWaalsContact O-CD 3.27Å; R417-P430 WeakPolarHBondContact O-CD 3.26Å; Y428-P430 VanDerWaalsContact CE1-CA 3.49Å; Y428-P430 HydrophobicContact CE1-CB 4.04Å
431E85.8Confident89.7Confident103 Ų10360.9 Ų60.948%0.48133%0.334SS..THydrogen-bonded Turntrans-88.2-42.7-176.4-165.9170.7149.700111.4I411 R417 D429I411-E431 HydrophobicContact CD1-CG 3.91Å; I411-E431 HydrophobicContact CG2-CG 4.35Å; I411-E431 WeakPolarHBondContact CG2-OE1 3.5Å; R417-E431 VanDerWaalsContact CD-OE2 3.32Å; R417-E431 WeakPolarHBondContact CD-OE2 3.16Å; R417-E431 IonicContact CZ-OE2 3.06Å; R417-E431 VanDerWaalsContact CZ-OE2 3.31Å; R417-E431 VanDerWaalsContact NE-CB 3.27Å; R417-E431 IonicContact NE-OE2 3.93Å; R417-E431 IonicContact NH1-OE1 3.49Å; R417-E431 PolarHBondContact NH1-OE1 3.48Å; R417-E431 IonicContact NH1-OE2 2.59Å; R417-E431 PolarHBondContact NH1-OE2 2.91Å; D429-E431 VanDerWaalsContact C-N 3.26Å; D429-E431 PolarHBondContact O-N 3.39Å; D429-E431 PolarHBondContact OD1-N 3.03Å
432T89.3Confident89.9Confident0 Ų061.2 Ų61.20%033%0.333CS..THydrogen-bonded Turntrans-89-2.7173.469.90000112.5R408 I411 D429 L434 Y461R408-T432 WeakPolarHBondContact CD-O 3.49Å; R408-T432 WeakPolarHBondContact CG-O 3.44Å; R408-T432 PolarHBondContact NE-O 3.26Å; R408-T432 PolarHBondContact NH2-O 3.41Å; I411-T432 HydrophobicContact CB-CG2 4Å; I411-T432 HydrophobicContact CG2-CG2 4.13Å; D429-T432 VanDerWaalsContact CB-OG1 3.26Å; D429-T432 WeakPolarHBondContact CB-OG1 3.22Å; D429-T432 PolarHBondContact OD1-N 3.3Å; D429-T432 WeakPolarHBondContact OD2-CB 3.32Å; D429-T432 VanDerWaalsContact OD2-CG2 3.27Å; D429-T432 WeakPolarHBondContact OD2-CG2 3.47Å; D429-T432 PolarHBondContact OD2-OG1 2.96Å; T432-L434 WeakPolarHBondContact O-CG 3.38Å; T432-L434 PolarHBondContact O-N 2.83Å; T432-Y461 HydrophobicContact CG2-CE2 3.95Å
433A89.7Confident90Very high27 Ų2757.9 Ų57.922%0.22330%0.303CS..  trans44.723-17400000115.5R408 Y428 D429R408-A433 PolarHBondContact NH2-O 2.69Å; Y428-A433 HydrophobicContact CE2-CB 4.24Å; D429-A433 WeakPolarHBondContact O-CA 3.44Å; D429-A433 PolarHBondContact O-N 2.91Å
434L91.6Very high90.2Very high0 Ų054.8 Ų54.80%028%0.278CS..  trans-100.5151.2179.5-65.9171000109.7R408 F409 D429 T432 F443 D445 Y452 Y461R408-L434 VanDerWaalsContact NH2-CD2 3.35Å; F409-L434 HydrophobicContact CD1-CD1 4.09Å; F409-L434 HydrophobicContact CE1-CD1 3.78Å; F409-L434 HydrophobicContact CE1-CD2 3.92Å; F409-L434 HydrophobicContact CE1-CG 4.34Å; F409-L434 HydrophobicContact CZ-CD2 4.4Å; D429-L434 PolarHBondContact N-O 3.44Å; T432-L434 WeakPolarHBondContact O-CG 3.38Å; T432-L434 PolarHBondContact O-N 2.83Å; L434-F443 HydrophobicContact CB-CB 4.12Å; L434-F443 HydrophobicContact CB-CD1 4.37Å; L434-F443 HydrophobicContact CD1-CB 3.94Å; L434-D445 HydrophobicContact CD2-CB 3.52Å; L434-Y452 HydrophobicContact CD2-CD2 4.39Å; L434-Y461 HydrophobicContact CD1-CD1 3.95Å; L434-Y461 HydrophobicContact CD1-CD2 4.28Å; L434-Y461 HydrophobicContact CD1-CE1 3.9Å; L434-Y461 HydrophobicContact CD1-CE2 4.2Å; L434-Y461 HydrophobicContact CD1-CG 4.15Å
435Y92.6Very high90.4Very high47 Ų4751.3 Ų51.318%0.18426%0.257CS..EExtended strand (participates in β ladder)trans-100.7110.8175.2-66-92.2000110E421 L426 Y427 Y428 F443 Y444E421-Y435 VanDerWaalsContact OE2-CE1 3.27Å; E421-Y435 WeakPolarHBondContact OE2-CE1 3.36Å; L426-Y435 HydrophobicContact CB-CD1 4.23Å; L426-Y435 HydrophobicContact CD1-CG 4.37Å; Y427-Y435 CarbonylContact O-C 3.59Å; Y427-Y435 WeakPolarHBondContact O-CA 3.43Å; Y428-Y435 HydrophobicContact CD2-CD1 4.04Å; Y428-Y435 HydrophobicContact CD2-CD2 4.35Å; Y428-Y435 AromaticContact CD2-CE1 3.62Å; Y428-Y435 HydrophobicContact CD2-CE1 3.62Å; Y428-Y435 AromaticContact CD2-CE2 3.96Å; Y428-Y435 HydrophobicContact CD2-CE2 3.96Å; Y428-Y435 HydrophobicContact CD2-CG 4.39Å; Y428-Y435 AromaticContact CD2-CZ 3.57Å; Y428-Y435 HydrophobicContact CE2-CE2 4.28Å; Y428-Y435 HydrophobicContact CG-CE1 4.12Å; Y435-F443 CarbonylContact O-C 3.57Å; Y435-F443 WeakPolarHBondContact O-CA 3.47Å; Y435-Y444 PolarHBondContact N-O 3.14Å; Y435-Y444 PolarHBondContact O-N 3.31Å
436Y93.6Very high90.3Very high64 Ų6452.4 Ų52.425%0.25126%0.26SS..EExtended strand (participates in β ladder)trans-75.8124.2175178.4-112000111.1L418 Y427 P438 F443L418-Y436 HydrophobicContact CD1-CD1 4Å; L418-Y436 HydrophobicContact CD1-CG 4.37Å; Y427-Y436 HydrophobicContact CD2-CD1 4.43Å; Y427-Y436 PolarHBondContact N-O 2.75Å; Y427-Y436 PolarHBondContact O-N 2.83Å; Y436-P438 HydrophobicContact CE1-CB 4.06Å; Y436-P438 WeakPolarHBondContact O-CD 3.17Å; Y436-F443 AromaticContact CD2-CD1 3.88Å; Y436-F443 HydrophobicContact CD2-CD1 3.88Å; Y436-F443 HydrophobicContact CD2-CD2 4.1Å; Y436-F443 AromaticContact CD2-CE1 3.49Å; Y436-F443 HydrophobicContact CD2-CE1 3.49Å; Y436-F443 VanDerWaalsContact CD2-CE1 3.49Å; Y436-F443 AromaticContact CD2-CE2 3.73Å; Y436-F443 HydrophobicContact CD2-CE2 3.73Å; Y436-F443 HydrophobicContact CD2-CG 4.17Å; Y436-F443 AromaticContact CD2-CZ 3.4Å; Y436-F443 HydrophobicContact CD2-CZ 3.4Å; Y436-F443 HydrophobicContact CE2-CE1 4.4Å; Y436-F443 HydrophobicContact CE2-CE2 4Å; Y436-F443 AromaticContact CE2-CZ 3.87Å; Y436-F443 HydrophobicContact CE2-CZ 3.87Å; Y436-F443 HydrophobicContact CG-CD1 4.34Å; Y436-F443 AromaticContact CG-CE1 3.94Å; Y436-F443 HydrophobicContact CG-CE1 3.94Å; Y436-F443 HydrophobicContact CG-CZ 4.22Å
437D91.7Very high90Very high16 Ų1656.2 Ų56.29%0.08628%0.284CS..EExtended strand (participates in β ladder)trans-95.1105.4172-175.8-9.4000109.7L426 L439 R440 G441 Y442L426-D437 HydrophobicContact CD2-CB 3.61Å; D437-L439 PolarHBondContact O-N 3.03Å; D437-L439 WeakPolarHBondContact OD1-CB 3.31Å; D437-L439 PolarHBondContact OD1-N 2.84Å; D437-R440 PolarHBondContact O-N 3.35Å; D437-R440 WeakPolarHBondContact OD2-CD 3.45Å; D437-R440 WeakPolarHBondContact OD2-CG 3.02Å; D437-R440 IonicContact OD2-NE 3.1Å; D437-G441 WeakPolarHBondContact O-CA 3.42Å; D437-G441 PolarHBondContact O-N 2.63Å; D437-Y442 PolarHBondContact N-O 3Å
438P87.2Confident89.6Confident64 Ų6455.7 Ų55.742%0.41629%0.287SS..THydrogen-bonded Turntrans-67.1-22.2-178.631.6-38.8000112.9Y427 Y436Y427-P438 HydrophobicContact CD2-CG 4.17Å; Y427-P438 HydrophobicContact CE2-CB 4.31Å; Y427-P438 HydrophobicContact CE2-CG 3.92Å; Y436-P438 HydrophobicContact CE1-CB 4.06Å; Y436-P438 WeakPolarHBondContact O-CD 3.17Å
439L87.7Confident89.5Confident163 Ų16359.4 Ų59.485%0.85331%0.307SS*.THydrogen-bonded Turntrans-74.9-32.3-179.9-66.7167.4000111.6D437D437-L439 PolarHBondContact O-N 3.03Å; D437-L439 WeakPolarHBondContact OD1-CB 3.31Å; D437-L439 PolarHBondContact OD1-N 2.84Å
440R86.5Confident89.4Confident152 Ų15262.4 Ų62.457%0.57432%0.322SS*.THydrogen-bonded Turntrans-108.3-16.8-175.8-60-178.8173.2169.9-1.6114D437 Y442 Y451D437-R440 PolarHBondContact O-N 3.35Å; D437-R440 WeakPolarHBondContact OD2-CD 3.45Å; D437-R440 WeakPolarHBondContact OD2-CG 3.02Å; D437-R440 IonicContact OD2-NE 3.1Å; R440-Y442 HydrophobicContact CB-CD2 3.62Å; R440-Y442 HydrophobicContact CB-CE2 4.25Å; R440-Y442 HydrophobicContact CB-CG 4.44Å; R440-Y442 PolarHBondContact O-N 3.31Å; R440-Y451 PolarHBondContact NH1-OH 3.43Å
441G88.3Confident89.5Confident33 Ų3363.7 Ų63.734%0.3432%0.32SS..THydrogen-bonded Turntrans70.218.5-173.900000113.8D437D437-G441 WeakPolarHBondContact O-CA 3.42Å; D437-G441 PolarHBondContact O-N 2.63Å
442Y91.8Very high89.8Confident75 Ų7559.7 Ų59.729%0.29430%0.301SS..EExtended strand (participates in β ladder)trans-107.1159.7178.7-65.2-55.9000111.7D437 R440 Y452 A464D437-Y442 PolarHBondContact N-O 3Å; R440-Y442 HydrophobicContact CB-CD2 3.62Å; R440-Y442 HydrophobicContact CB-CE2 4.25Å; R440-Y442 HydrophobicContact CB-CG 4.44Å; R440-Y442 PolarHBondContact O-N 3.31Å; Y442-Y452 CarbonylContact C-O 3.57Å; Y442-Y452 WeakPolarHBondContact CA-O 3.26Å; Y442-A464 HydrophobicContact CD1-CB 4.29Å; Y442-A464 HydrophobicContact CE1-CB 4.19Å
443F92Very high89.8Confident12 Ų1262.1 Ų62.15%0.05331%0.31CS..EExtended strand (participates in β ladder)trans-110.2121.2175.5-64.1-97.6000108.9P413 L434 Y435 Y436 Y451 Y452 W454 Y461P413-F443 HydrophobicContact CB-CE1 3.89Å; P413-F443 HydrophobicContact CB-CE2 4.39Å; P413-F443 HydrophobicContact CB-CZ 3.46Å; P413-F443 VanDerWaalsContact CB-CZ 3.46Å; P413-F443 HydrophobicContact CG-CZ 4.05Å; L434-F443 HydrophobicContact CB-CB 4.12Å; L434-F443 HydrophobicContact CB-CD1 4.37Å; L434-F443 HydrophobicContact CD1-CB 3.94Å; Y435-F443 CarbonylContact O-C 3.57Å; Y435-F443 WeakPolarHBondContact O-CA 3.47Å; Y436-F443 AromaticContact CD2-CD1 3.88Å; Y436-F443 HydrophobicContact CD2-CD1 3.88Å; Y436-F443 HydrophobicContact CD2-CD2 4.1Å; Y436-F443 AromaticContact CD2-CE1 3.49Å; Y436-F443 HydrophobicContact CD2-CE1 3.49Å; Y436-F443 VanDerWaalsContact CD2-CE1 3.49Å; Y436-F443 AromaticContact CD2-CE2 3.73Å; Y436-F443 HydrophobicContact CD2-CE2 3.73Å; Y436-F443 HydrophobicContact CD2-CG 4.17Å; Y436-F443 AromaticContact CD2-CZ 3.4Å; Y436-F443 HydrophobicContact CD2-CZ 3.4Å; Y436-F443 HydrophobicContact CE2-CE1 4.4Å; Y436-F443 HydrophobicContact CE2-CE2 4Å; Y436-F443 AromaticContact CE2-CZ 3.87Å; Y436-F443 HydrophobicContact CE2-CZ 3.87Å; Y436-F443 HydrophobicContact CG-CD1 4.34Å; Y436-F443 AromaticContact CG-CE1 3.94Å; Y436-F443 HydrophobicContact CG-CE1 3.94Å; Y436-F443 HydrophobicContact CG-CZ 4.22Å; F443-Y451 CarbonylContact O-C 3.53Å; F443-Y451 WeakPolarHBondContact O-CA 3.17Å; F443-Y452 PolarHBondContact N-O 2.98Å; F443-Y452 PolarHBondContact O-N 2.87Å; F443-W454 HydrophobicContact CE2-CB 4.28Å; F443-Y461 HydrophobicContact CB-CD1 4.28Å; F443-Y461 HydrophobicContact CB-CE1 4.09Å; F443-Y461 AromaticContact CD1-CE1 3.81Å; F443-Y461 HydrophobicContact CD1-CE1 3.81Å; F443-Y461 HydrophobicContact CD2-CD1 4.01Å; F443-Y461 AromaticContact CD2-CE1 3.52Å; F443-Y461 HydrophobicContact CD2-CE1 3.52Å; F443-Y461 HydrophobicContact CE1-CE1 4.06Å; F443-Y461 AromaticContact CE2-CE1 3.81Å; F443-Y461 HydrophobicContact CE2-CE1 3.81Å; F443-Y461 HydrophobicContact CG-CD1 4.12Å; F443-Y461 AromaticContact CG-CE1 3.53Å; F443-Y461 HydrophobicContact CG-CE1 3.53Å; F443-Y461 HydrophobicContact CZ-CE1 4.07Å
444Y91.9Very high89.9Confident55 Ų5563.5 Ų63.522%0.21631%0.31CS..EExtended strand (participates in β ladder)trans-96.2127.4-179.4-180-109.6000110.8Y435 Y451Y435-Y444 PolarHBondContact N-O 3.14Å; Y435-Y444 PolarHBondContact O-N 3.31Å; Y444-Y451 HydrophobicContact CD2-CD1 4.09Å; Y444-Y451 AromaticContact CD2-CD2 3.93Å; Y444-Y451 HydrophobicContact CD2-CD2 3.93Å; Y444-Y451 AromaticContact CD2-CE1 3.83Å; Y444-Y451 HydrophobicContact CD2-CE1 3.83Å; Y444-Y451 AromaticContact CD2-CE2 3.64Å; Y444-Y451 HydrophobicContact CD2-CE2 3.64Å; Y444-Y451 HydrophobicContact CD2-CG 4.15Å; Y444-Y451 AromaticContact CD2-CZ 3.59Å; Y444-Y451 HydrophobicContact CE2-CD2 4.41Å; Y444-Y451 AromaticContact CE2-CE2 3.96Å; Y444-Y451 HydrophobicContact CE2-CE2 3.96Å; Y444-Y451 HydrophobicContact CG-CE1 4.19Å
445D90.6Very high89.8Confident0 Ų064 Ų640%031%0.313CS..EExtended strand (participates in β ladder)trans-94.1109.8170.4-173.3-2.6000109.5R408 L434 T447 N448 Q449 M450 Y452R408-D445 IonicContact NH1-OD1 2.7Å; R408-D445 IonicContact NH2-OD1 3.23Å; L434-D445 HydrophobicContact CD2-CB 3.52Å; D445-T447 PolarHBondContact O-N 2.64Å; D445-T447 WeakPolarHBondContact OD1-CB 3.36Å; D445-T447 PolarHBondContact OD1-N 3.22Å; D445-N448 PolarHBondContact OD2-ND2 3.18Å; D445-Q449 WeakPolarHBondContact O-CA 3.42Å; D445-Q449 PolarHBondContact O-N 2.89Å; D445-M450 PolarHBondContact N-O 3.46Å; D445-M450 PolarHBondContact O-N 3.11Å; D445-Y452 HydrophobicContact CB-CD2 4.19Å; D445-Y452 HydrophobicContact CB-CE2 3.65Å
446S87.1Confident89.6Confident54 Ų5470.4 Ų70.438%0.37835%0.345SS..THydrogen-bonded Turntrans-64.4-28178.5580000112.9
447T85.6Confident89.4Confident109 Ų10972.7 Ų72.767%0.66937%0.37SS*.THydrogen-bonded Turntrans-74.6-44.6-176.1-56.10000111.2D445D445-T447 PolarHBondContact O-N 2.64Å; D445-T447 WeakPolarHBondContact OD1-CB 3.36Å; D445-T447 PolarHBondContact OD1-N 3.22Å
448N85.4Confident89.1Confident74 Ų7476.7 Ų76.740%0.39639%0.388SS..THydrogen-bonded Turntrans-95.5-7.6-179.9-64.5-49.7000113.3D445 M450D445-N448 PolarHBondContact OD2-ND2 3.18Å; N448-M450 VanDerWaalsContact C-N 3.26Å; N448-M450 HydrophobicContact CB-CB 4.44Å; N448-M450 HydrophobicContact CB-CG 4.24Å; N448-M450 WeakPolarHBondContact O-CG 3.41Å; N448-M450 PolarHBondContact O-N 3.31Å
449Q89.7Confident89.2Confident143 Ų14375.2 Ų75.267%0.66839%0.385SS*.THydrogen-bonded Turntrans55.638.3-173.9-56.2-177.6-3.600113.2D445D445-Q449 WeakPolarHBondContact O-CA 3.42Å; D445-Q449 PolarHBondContact O-N 2.89Å
450M89.9Confident89.4Confident64 Ų6473.8 Ų73.832%0.31537%0.368SS..EExtended strand (participates in β ladder)trans-120146.8-175.7-70-63.3-121.100111.6D445 N448 Y452 L463D445-M450 PolarHBondContact N-O 3.46Å; D445-M450 PolarHBondContact O-N 3.11Å; N448-M450 VanDerWaalsContact C-N 3.26Å; N448-M450 HydrophobicContact CB-CB 4.44Å; N448-M450 HydrophobicContact CB-CG 4.24Å; N448-M450 WeakPolarHBondContact O-CG 3.41Å; N448-M450 PolarHBondContact O-N 3.31Å; M450-Y452 HydrophobicContact CB-CE2 3.75Å; M450-L463 HydrophobicContact CB-CD1 4.49Å; M450-L463 HydrophobicContact CE-CD1 4.05Å; M450-L463 HydrophobicContact CE-CD2 3.59Å; M450-L463 HydrophobicContact CE-CG 4.38Å; M450-L463 HydrophobicContact CG-CD1 4.48Å; M450-L463 HydrophobicContact SD-CD2 4.26Å
451Y90.7Very high89.5Confident82 Ų8267 Ų6732%0.32234%0.343SS..EExtended strand (participates in β ladder)trans-95.3140.6171.7-72.6-91000110.7R440 F443 Y444 A464R440-Y451 PolarHBondContact NH1-OH 3.43Å; F443-Y451 CarbonylContact O-C 3.53Å; F443-Y451 WeakPolarHBondContact O-CA 3.17Å; Y444-Y451 HydrophobicContact CD2-CD1 4.09Å; Y444-Y451 AromaticContact CD2-CD2 3.93Å; Y444-Y451 HydrophobicContact CD2-CD2 3.93Å; Y444-Y451 AromaticContact CD2-CE1 3.83Å; Y444-Y451 HydrophobicContact CD2-CE1 3.83Å; Y444-Y451 AromaticContact CD2-CE2 3.64Å; Y444-Y451 HydrophobicContact CD2-CE2 3.64Å; Y444-Y451 HydrophobicContact CD2-CG 4.15Å; Y444-Y451 AromaticContact CD2-CZ 3.59Å; Y444-Y451 HydrophobicContact CE2-CD2 4.41Å; Y444-Y451 AromaticContact CE2-CE2 3.96Å; Y444-Y451 HydrophobicContact CE2-CE2 3.96Å; Y444-Y451 HydrophobicContact CG-CE1 4.19Å; Y451-A464 WeakPolarHBondContact O-CB 3.41Å; Y451-A464 PolarHBondContact O-N 2.93Å
452Y91.9Very high89.6Confident19 Ų1966.6 Ų66.68%0.07533%0.332CS..EExtended strand (participates in β ladder)trans-126.4156178.1-62-94.9000109.9F409 L434 Y442 F443 D445 M450 I462 L463F409-Y452 HydrophobicContact CD1-CD1 4.48Å; F409-Y452 AromaticContact CE1-CD1 3.91Å; F409-Y452 HydrophobicContact CE1-CD1 3.91Å; F409-Y452 HydrophobicContact CE1-CD2 4.01Å; F409-Y452 AromaticContact CE1-CE1 3.87Å; F409-Y452 HydrophobicContact CE1-CE1 3.87Å; F409-Y452 AromaticContact CE1-CE2 3.98Å; F409-Y452 HydrophobicContact CE1-CE2 3.98Å; F409-Y452 AromaticContact CE1-CG 3.99Å; F409-Y452 HydrophobicContact CE1-CG 3.99Å; F409-Y452 AromaticContact CE1-CZ 3.91Å; F409-Y452 HydrophobicContact CE2-CE1 4.36Å; F409-Y452 HydrophobicContact CZ-CD1 4.29Å; F409-Y452 HydrophobicContact CZ-CD2 4.3Å; F409-Y452 AromaticContact CZ-CE1 3.77Å; F409-Y452 HydrophobicContact CZ-CE1 3.77Å; F409-Y452 AromaticContact CZ-CE2 3.8Å; F409-Y452 HydrophobicContact CZ-CE2 3.8Å; F409-Y452 AromaticContact CZ-CZ 3.5Å; L434-Y452 HydrophobicContact CD2-CD2 4.39Å; Y442-Y452 CarbonylContact C-O 3.57Å; Y442-Y452 WeakPolarHBondContact CA-O 3.26Å; F443-Y452 PolarHBondContact N-O 2.98Å; F443-Y452 PolarHBondContact O-N 2.87Å; D445-Y452 HydrophobicContact CB-CD2 4.19Å; D445-Y452 HydrophobicContact CB-CE2 3.65Å; M450-Y452 HydrophobicContact CB-CE2 3.75Å; Y452-I462 CarbonylContact C-O 3.52Å; Y452-I462 WeakPolarHBondContact CA-O 3.29Å; Y452-L463 HydrophobicContact CD1-CB 4.32Å; Y452-L463 HydrophobicContact CD1-CG 4.36Å; Y452-L463 HydrophobicContact CE1-CB 4.2Å; Y452-L463 HydrophobicContact CE1-CD1 3.81Å; Y452-L463 HydrophobicContact CE1-CG 3.97Å
453Y90.6Very high89.5Confident51 Ų5165.3 Ų65.320%0.233%0.33CS..EExtended strand (participates in β ladder)trans-123.3151.8165.373-80.8000109Y461 I462 L467Y453-Y461 CarbonylContact O-C 3.56Å; Y453-Y461 VanDerWaalsContact O-CA 3.3Å; Y453-Y461 WeakPolarHBondContact O-CA 3.24Å; Y453-I462 HydrophobicContact CD1-CB 4.14Å; Y453-I462 VanDerWaalsContact CD1-O 3.24Å; Y453-I462 WeakPolarHBondContact CD1-O 3.37Å; Y453-I462 HydrophobicContact CE1-CB 3.48Å; Y453-I462 VanDerWaalsContact CE1-CB 3.48Å; Y453-I462 HydrophobicContact CE1-CG2 3.62Å; Y453-I462 HydrophobicContact CE2-CB 4.41Å; Y453-I462 HydrophobicContact CE2-CD1 4.41Å; Y453-I462 PolarHBondContact N-O 3.23Å; Y453-I462 PolarHBondContact O-N 3.4Å; Y453-I462 WeakPolarHBondContact OH-CD1 3.43Å; Y453-L467 HydrophobicContact CD1-CB 4.3Å; Y453-L467 HydrophobicContact CD1-CD1 4.01Å; Y453-L467 HydrophobicContact CD2-CD1 4.26Å; Y453-L467 HydrophobicContact CE1-CB 3.62Å; Y453-L467 HydrophobicContact CE1-CD1 3.51Å; Y453-L467 HydrophobicContact CE1-CG 4.22Å; Y453-L467 HydrophobicContact CE2-CD1 3.79Å; Y453-L467 HydrophobicContact CG-CD1 4.35Å
454W91.4Very high89.2Confident57 Ų5765 Ų6522%0.21633%0.33CS..EExtended strand (participates in β ladder)trans-82120.8173.6177.2-106.3000110I411 P412 P413 F443 G459 R460 Y461I411-W454 WeakPolarHBondContact O-CZ3 3.32Å; P412-W454 VanDerWaalsContact CA-CH2 3.44Å; P412-W454 HydrophobicContact CB-CH2 4.03Å; P412-W454 HydrophobicContact CB-CZ2 3.78Å; P412-W454 HydrophobicContact CG-CH2 3.91Å; P412-W454 HydrophobicContact CG-CZ2 3.87Å; P413-W454 VanDerWaalsContact CD-CG 3.46Å; P413-W454 HydrophobicContact CG-CB 3.88Å; P413-W454 HydrophobicContact CG-CD2 3.98Å; P413-W454 HydrophobicContact CG-CG 3.62Å; F443-W454 HydrophobicContact CE2-CB 4.28Å; W454-G459 VanDerWaalsContact CH2-O 3.22Å; W454-G459 WeakPolarHBondContact CH2-O 3.2Å; W454-R460 VanDerWaalsContact CE3-C 3.48Å; W454-Y461 HydrophobicContact CB-CD1 4.31Å; W454-Y461 HydrophobicContact CB-CE1 4.18Å; W454-Y461 HydrophobicContact CE3-CD1 4.18Å; W454-Y461 AromaticContact CE3-CD2 3.65Å; W454-Y461 HydrophobicContact CE3-CD2 3.65Å; W454-Y461 HydrophobicContact CE3-CE1 4.13Å; W454-Y461 AromaticContact CE3-CE2 3.65Å; W454-Y461 HydrophobicContact CE3-CE2 3.65Å; W454-Y461 AromaticContact CE3-CG 3.94Å; W454-Y461 HydrophobicContact CE3-CG 3.94Å; W454-Y461 AromaticContact CE3-CZ 3.88Å; W454-Y461 AromaticContact CZ3-CD2 3.83Å; W454-Y461 HydrophobicContact CZ3-CD2 3.83Å; W454-Y461 AromaticContact CZ3-CE2 3.82Å; W454-Y461 HydrophobicContact CZ3-CE2 3.82Å
455S89.6Confident88.8Confident10 Ų1066.5 Ų66.57%0.0734%0.342CS..EExtended strand (participates in β ladder)trans-96.4111.8172.21790000109.9S457 E458 G459 R460S455-S457 VanDerWaalsContact C-N 3.26Å; S455-S457 PolarHBondContact O-N 3.06Å; S455-S457 PolarHBondContact OG-OG 2.86Å; S455-E458 PolarHBondContact O-N 3.49Å; S455-E458 PolarHBondContact OG-N 2.84Å; S455-G459 WeakPolarHBondContact O-CA 3.35Å; S455-G459 PolarHBondContact O-N 2.97Å; S455-R460 PolarHBondContact N-O 2.78Å; S455-R460 PolarHBondContact O-N 3.43Å
456Q88.1Confident88.1Confident181 Ų18168.7 Ų68.785%0.84636%0.359SS*.THydrogen-bonded Turntrans-67.1-29.4177.5-168.3173.414.400112.2
457S89Confident87.5Confident112 Ų11267.8 Ų67.878%0.78335%0.35SS*.THydrogen-bonded Turntrans-72.2-36.6178.556.80000112.6S455S455-S457 VanDerWaalsContact C-N 3.26Å; S455-S457 PolarHBondContact O-N 3.06Å; S455-S457 PolarHBondContact OG-OG 2.86Å
458E86Confident87Confident101 Ų10166.5 Ų66.547%0.47234%0.338SS..THydrogen-bonded Turntrans-92.4-11.3177.5-61.6-167.5-173.800113.3S455 R460 I462S455-E458 PolarHBondContact O-N 3.49Å; S455-E458 PolarHBondContact OG-N 2.84Å; E458-R460 VanDerWaalsContact C-N 3.27Å; E458-R460 HydrophobicContact CB-CG 3.85Å; E458-R460 PolarHBondContact O-N 2.84Å; E458-R460 IonicContact OE2-CZ 3.92Å; E458-R460 IonicContact OE2-NE 2.72Å; E458-R460 PolarHBondContact OE2-NE 3.06Å; E458-R460 IonicContact OE2-NH2 3.6Å; E458-R460 PolarHBondContact OE2-NH2 2.82Å; E458-I462 HydrophobicContact CB-CD1 4.3Å; E458-I462 HydrophobicContact CG-CD1 4.07Å; E458-I462 WeakPolarHBondContact OE2-CD1 3.37Å
459G88.9Confident86.6Confident33 Ų3369.6 Ų69.634%0.3435%0.35SS..THydrogen-bonded Turntrans61.333.8-176.900000113.1W454 S455W454-G459 VanDerWaalsContact CH2-O 3.22Å; W454-G459 WeakPolarHBondContact CH2-O 3.2Å; S455-G459 WeakPolarHBondContact O-CA 3.35Å; S455-G459 PolarHBondContact O-N 2.97Å
460R91.4Very high85.9Confident132 Ų13265.6 Ų65.650%0.49834%0.342SS..EExtended strand (participates in β ladder)trans-154.7163-178.167.3-180-176158.81.6112.9F409 W454 S455 E458 I462F409-R460 CarbonylContact O-C 3.55Å; F409-R460 VanDerWaalsContact O-CA 3.23Å; F409-R460 WeakPolarHBondContact O-CA 3.26Å; F409-R460 WeakPolarHBondContact O-CB 3.31Å; W454-R460 VanDerWaalsContact CE3-C 3.48Å; S455-R460 PolarHBondContact N-O 2.78Å; S455-R460 PolarHBondContact O-N 3.43Å; E458-R460 VanDerWaalsContact C-N 3.27Å; E458-R460 HydrophobicContact CB-CG 3.85Å; E458-R460 PolarHBondContact O-N 2.84Å; E458-R460 IonicContact OE2-CZ 3.92Å; E458-R460 IonicContact OE2-NE 2.72Å; E458-R460 PolarHBondContact OE2-NE 3.06Å; E458-R460 IonicContact OE2-NH2 3.6Å; E458-R460 PolarHBondContact OE2-NH2 2.82Å; R460-I462 HydrophobicContact CG-CG1 4.27Å
461Y90.4Very high85.3Confident11 Ų1168.4 Ų68.44%0.04335%0.354CS..EExtended strand (participates in β ladder)trans-76.1132.1169.1-66.5-88.3000111.3F409 I411 P413 T432 L434 F443 Y453 W454F409-Y461 HydrophobicContact CB-CD2 4.28Å; F409-Y461 VanDerWaalsContact CD1-CB 3.49Å; F409-Y461 AromaticContact CD1-CD2 3.86Å; F409-Y461 HydrophobicContact CD1-CD2 3.86Å; F409-Y461 AromaticContact CD1-CG 3.87Å; F409-Y461 HydrophobicContact CD1-CG 3.87Å; F409-Y461 WeakPolarHBondContact O-CD2 3.15Å; F409-Y461 PolarHBondContact O-N 3.2Å; I411-Y461 WeakPolarHBondContact O-CE2 3.38Å; P413-Y461 WeakPolarHBondContact CB-OH 3.48Å; T432-Y461 HydrophobicContact CG2-CE2 3.95Å; L434-Y461 HydrophobicContact CD1-CD1 3.95Å; L434-Y461 HydrophobicContact CD1-CD2 4.28Å; L434-Y461 HydrophobicContact CD1-CE1 3.9Å; L434-Y461 HydrophobicContact CD1-CE2 4.2Å; L434-Y461 HydrophobicContact CD1-CG 4.15Å; F443-Y461 HydrophobicContact CB-CD1 4.28Å; F443-Y461 HydrophobicContact CB-CE1 4.09Å; F443-Y461 AromaticContact CD1-CE1 3.81Å; F443-Y461 HydrophobicContact CD1-CE1 3.81Å; F443-Y461 HydrophobicContact CD2-CD1 4.01Å; F443-Y461 AromaticContact CD2-CE1 3.52Å; F443-Y461 HydrophobicContact CD2-CE1 3.52Å; F443-Y461 HydrophobicContact CE1-CE1 4.06Å; F443-Y461 AromaticContact CE2-CE1 3.81Å; F443-Y461 HydrophobicContact CE2-CE1 3.81Å; F443-Y461 HydrophobicContact CG-CD1 4.12Å; F443-Y461 AromaticContact CG-CE1 3.53Å; F443-Y461 HydrophobicContact CG-CE1 3.53Å; F443-Y461 HydrophobicContact CZ-CE1 4.07Å; Y453-Y461 CarbonylContact O-C 3.56Å; Y453-Y461 VanDerWaalsContact O-CA 3.3Å; Y453-Y461 WeakPolarHBondContact O-CA 3.24Å; W454-Y461 HydrophobicContact CB-CD1 4.31Å; W454-Y461 HydrophobicContact CB-CE1 4.18Å; W454-Y461 HydrophobicContact CE3-CD1 4.18Å; W454-Y461 AromaticContact CE3-CD2 3.65Å; W454-Y461 HydrophobicContact CE3-CD2 3.65Å; W454-Y461 HydrophobicContact CE3-CE1 4.13Å; W454-Y461 AromaticContact CE3-CE2 3.65Å; W454-Y461 HydrophobicContact CE3-CE2 3.65Å; W454-Y461 AromaticContact CE3-CG 3.94Å; W454-Y461 HydrophobicContact CE3-CG 3.94Å; W454-Y461 AromaticContact CE3-CZ 3.88Å; W454-Y461 AromaticContact CZ3-CD2 3.83Å; W454-Y461 HydrophobicContact CZ3-CD2 3.83Å; W454-Y461 AromaticContact CZ3-CE2 3.82Å; W454-Y461 HydrophobicContact CZ3-CE2 3.82Å
462I88.9Confident84.8Confident24 Ų2469.8 Ų69.812%0.12337%0.367CS..EExtended strand (participates in β ladder)trans-119142.5179-56.7175.5000108.5Y452 Y453 E458 R460 A464 A466Y452-I462 CarbonylContact C-O 3.52Å; Y452-I462 WeakPolarHBondContact CA-O 3.29Å; Y453-I462 HydrophobicContact CD1-CB 4.14Å; Y453-I462 VanDerWaalsContact CD1-O 3.24Å; Y453-I462 WeakPolarHBondContact CD1-O 3.37Å; Y453-I462 HydrophobicContact CE1-CB 3.48Å; Y453-I462 VanDerWaalsContact CE1-CB 3.48Å; Y453-I462 HydrophobicContact CE1-CG2 3.62Å; Y453-I462 HydrophobicContact CE2-CB 4.41Å; Y453-I462 HydrophobicContact CE2-CD1 4.41Å; Y453-I462 PolarHBondContact N-O 3.23Å; Y453-I462 PolarHBondContact O-N 3.4Å; Y453-I462 WeakPolarHBondContact OH-CD1 3.43Å; E458-I462 HydrophobicContact CB-CD1 4.3Å; E458-I462 HydrophobicContact CG-CD1 4.07Å; E458-I462 WeakPolarHBondContact OE2-CD1 3.37Å; R460-I462 HydrophobicContact CG-CG1 4.27Å; I462-A464 PolarHBondContact O-N 3.03Å; I462-A466 HydrophobicContact CG2-CB 4.45Å
463L90.5Very high84.1Confident48 Ų4871.6 Ų71.625%0.25139%0.386SS..EExtended strand (participates in β ladder)trans-66.6127.1-177.3-143.7139.1000110.2M450 Y452 N465 A466 L467M450-L463 HydrophobicContact CB-CD1 4.49Å; M450-L463 HydrophobicContact CE-CD1 4.05Å; M450-L463 HydrophobicContact CE-CD2 3.59Å; M450-L463 HydrophobicContact CE-CG 4.38Å; M450-L463 HydrophobicContact CG-CD1 4.48Å; M450-L463 HydrophobicContact SD-CD2 4.26Å; Y452-L463 HydrophobicContact CD1-CB 4.32Å; Y452-L463 HydrophobicContact CD1-CG 4.36Å; Y452-L463 HydrophobicContact CE1-CB 4.2Å; Y452-L463 HydrophobicContact CE1-CD1 3.81Å; Y452-L463 HydrophobicContact CE1-CG 3.97Å; L463-N465 VanDerWaalsContact C-N 3.27Å; L463-N465 HydrophobicContact CD2-CB 3.87Å; L463-N465 PolarHBondContact O-N 2.85Å; L463-A466 WeakPolarHBondContact O-CA 3.41Å; L463-A466 VanDerWaalsContact O-CB 3.26Å; L463-A466 WeakPolarHBondContact O-CB 3.26Å; L463-A466 PolarHBondContact O-N 3.4Å; L463-L467 PolarHBondContact O-N 3.17Å
464A85.7Confident83.6Confident6 Ų672.1 Ų72.15%0.0540%0.4CS..Hα-helixtrans-61.1-34.1-172.900000112.7Y442 Y451 I462 A466 L467 I468Y442-A464 HydrophobicContact CD1-CB 4.29Å; Y442-A464 HydrophobicContact CE1-CB 4.19Å; Y451-A464 WeakPolarHBondContact O-CB 3.41Å; Y451-A464 PolarHBondContact O-N 2.93Å; I462-A464 PolarHBondContact O-N 3.03Å; A464-A466 PolarHBondContact O-N 3.23Å; A464-L467 WeakPolarHBondContact O-CB 3.27Å; A464-L467 PolarHBondContact O-N 3.24Å; A464-L467 VanDerWaalsContact O-N 3.08Å; A464-I468 PolarHBondContact O-N 3.18Å; A464-I468 VanDerWaalsContact O-N 3.09Å
465N82.2Confident83.2Confident86 Ų8672 Ų7246%0.4641%0.411SS..Hα-helixtrans-61.7-31.8173.6-73.2-6.5000112.7L463 L467 I468 Q469L463-N465 VanDerWaalsContact C-N 3.27Å; L463-N465 HydrophobicContact CD2-CB 3.87Å; L463-N465 PolarHBondContact O-N 2.85Å; N465-L467 VanDerWaalsContact C-N 3.3Å; N465-I468 PolarHBondContact O-N 3.46Å; N465-Q469 WeakPolarHBondContact O-CB 3.45Å; N465-Q469 VanDerWaalsContact O-CG 3.31Å; N465-Q469 WeakPolarHBondContact O-CG 3.47Å; N465-Q469 PolarHBondContact O-N 3.35Å
466A76.8Confident82.8Confident45 Ų4577.8 Ų77.837%0.37244%0.437SS..Hα-helixtrans-67.9-33.6176.200000111.1I462 L463 A464 A470I462-A466 HydrophobicContact CG2-CB 4.45Å; L463-A466 WeakPolarHBondContact O-CA 3.41Å; L463-A466 VanDerWaalsContact O-CB 3.26Å; L463-A466 WeakPolarHBondContact O-CB 3.26Å; L463-A466 PolarHBondContact O-N 3.4Å; A464-A466 PolarHBondContact O-N 3.23Å; A466-A470 VanDerWaalsContact O-CB 3.24Å; A466-A470 WeakPolarHBondContact O-CB 3.29Å; A466-A470 PolarHBondContact O-N 3.11Å
467L73.9Confident82.6Confident36 Ų3673.8 Ų73.819%0.18843%0.425CS..Hα-helixtrans-68.2-45.5173.5-176.5145.6000111.3Y453 L463 A464 N465 Q469 A470 E471Y453-L467 HydrophobicContact CD1-CB 4.3Å; Y453-L467 HydrophobicContact CD1-CD1 4.01Å; Y453-L467 HydrophobicContact CD2-CD1 4.26Å; Y453-L467 HydrophobicContact CE1-CB 3.62Å; Y453-L467 HydrophobicContact CE1-CD1 3.51Å; Y453-L467 HydrophobicContact CE1-CG 4.22Å; Y453-L467 HydrophobicContact CE2-CD1 3.79Å; Y453-L467 HydrophobicContact CG-CD1 4.35Å; L463-L467 PolarHBondContact O-N 3.17Å; A464-L467 WeakPolarHBondContact O-CB 3.27Å; A464-L467 PolarHBondContact O-N 3.24Å; A464-L467 VanDerWaalsContact O-N 3.08Å; N465-L467 VanDerWaalsContact C-N 3.3Å; L467-Q469 VanDerWaalsContact C-N 3.32Å; L467-Q469 PolarHBondContact O-N 3.1Å; L467-A470 PolarHBondContact O-N 2.93Å; L467-E471 HydrophobicContact CD2-CG 4.27Å; L467-E471 WeakPolarHBondContact CD2-OE1 3.27Å; L467-E471 WeakPolarHBondContact O-CB 3.49Å; L467-E471 WeakPolarHBondContact O-CG 3.44Å; L467-E471 PolarHBondContact O-N 3.18Å
468I76.2Confident82.4Confident81 Ų8171.3 Ų71.342%0.41541%0.411SS..Hα-helixtrans-60.6-43.1175.9-62169.5000110.8A464 N465 E471 L472A464-I468 PolarHBondContact O-N 3.18Å; A464-I468 VanDerWaalsContact O-N 3.09Å; N465-I468 PolarHBondContact O-N 3.46Å; I468-E471 PolarHBondContact O-N 3.35Å; I468-L472 HydrophobicContact CG2-CD1 3.95Å; I468-L472 HydrophobicContact CG2-CG 4.38Å; I468-L472 WeakPolarHBondContact O-CB 3.42Å; I468-L472 VanDerWaalsContact O-CG 3.25Å; I468-L472 WeakPolarHBondContact O-CG 3.46Å; I468-L472 PolarHBondContact O-N 3.39Å
469Q75.9Confident82.2Confident139 Ų13973.2 Ų73.265%0.6542%0.42SS*.Hα-helixtrans-65.9-39.9176.9-74.8-178.5-3.100112.4N465 L467 L472 A473N465-Q469 WeakPolarHBondContact O-CB 3.45Å; N465-Q469 VanDerWaalsContact O-CG 3.31Å; N465-Q469 WeakPolarHBondContact O-CG 3.47Å; N465-Q469 PolarHBondContact O-N 3.35Å; L467-Q469 VanDerWaalsContact C-N 3.32Å; L467-Q469 PolarHBondContact O-N 3.1Å; Q469-L472 PolarHBondContact O-N 2.87Å; Q469-A473 VanDerWaalsContact O-CB 3.31Å; Q469-A473 WeakPolarHBondContact O-CB 3.4Å; Q469-A473 PolarHBondContact O-N 3.37Å
470A75.5Confident82Confident59 Ų5974.2 Ų74.249%0.48843%0.425SS..Hα-helixtrans-65.1-42.4175.900000111.7A466 L467 A473 A474A466-A470 VanDerWaalsContact O-CB 3.24Å; A466-A470 WeakPolarHBondContact O-CB 3.29Å; A466-A470 PolarHBondContact O-N 3.11Å; L467-A470 PolarHBondContact O-N 2.93Å; A470-A473 PolarHBondContact O-N 3.15Å; A470-A474 WeakPolarHBondContact O-CB 3.31Å; A470-A474 PolarHBondContact O-N 2.82Å
471E78.2Confident81.8Confident123 Ų12372.6 Ų72.658%0.57543%0.43SS*.Hα-helixtrans-65.4-42.5175.6-75-177.9170.600112L467 I468 A474 A475L467-E471 HydrophobicContact CD2-CG 4.27Å; L467-E471 WeakPolarHBondContact CD2-OE1 3.27Å; L467-E471 WeakPolarHBondContact O-CB 3.49Å; L467-E471 WeakPolarHBondContact O-CG 3.44Å; L467-E471 PolarHBondContact O-N 3.18Å; I468-E471 PolarHBondContact O-N 3.35Å; E471-A474 PolarHBondContact O-N 3.48Å; E471-A475 VanDerWaalsContact O-CB 3.3Å; E471-A475 WeakPolarHBondContact O-CB 3.38Å; E471-A475 PolarHBondContact O-N 3.09Å
472L79Confident81.5Confident112 Ų11274.9 Ų74.959%0.58645%0.451SS*.Hα-helixtrans-64.1-40.7175-74.8172.3000112I468 Q469 A475 H476I468-L472 HydrophobicContact CG2-CD1 3.95Å; I468-L472 HydrophobicContact CG2-CG 4.38Å; I468-L472 WeakPolarHBondContact O-CB 3.42Å; I468-L472 VanDerWaalsContact O-CG 3.25Å; I468-L472 WeakPolarHBondContact O-CG 3.46Å; I468-L472 PolarHBondContact O-N 3.39Å; Q469-L472 PolarHBondContact O-N 2.87Å; L472-A475 PolarHBondContact O-N 2.91Å; L472-H476 WeakPolarHBondContact O-CB 3.36Å; L472-H476 PolarHBondContact O-N 2.9Å
473A78.5Confident81.3Confident57 Ų5776.5 Ų76.547%0.47147%0.468SS..Hα-helixtrans-63.7-44.5175.100000111.2Q469 A470 H476 V477Q469-A473 VanDerWaalsContact O-CB 3.31Å; Q469-A473 WeakPolarHBondContact O-CB 3.4Å; Q469-A473 PolarHBondContact O-N 3.37Å; A470-A473 PolarHBondContact O-N 3.15Å; A473-H476 PolarHBondContact O-N 3.05Å; A473-V477 WeakPolarHBondContact O-CG2 3.33Å; A473-V477 PolarHBondContact O-N 2.71Å
474A80.5Confident81.1Confident61 Ų6179.6 Ų79.650%0.50448%0.481SS..Hα-helixtrans-62.7-42.5175.700000112.1A470 E471 V477 A478A470-A474 WeakPolarHBondContact O-CB 3.31Å; A470-A474 PolarHBondContact O-N 2.82Å; E471-A474 PolarHBondContact O-N 3.48Å; A474-V477 PolarHBondContact O-N 2.79Å; A474-A478 WeakPolarHBondContact O-CB 3.31Å; A474-A478 PolarHBondContact O-N 3.4Å
475A81.5Confident81Confident55 Ų5582.1 Ų82.146%0.45550%0.502SS..Hα-helixtrans-64.5-40.7176.700000112.2E471 L472 A478 Q479E471-A475 VanDerWaalsContact O-CB 3.3Å; E471-A475 WeakPolarHBondContact O-CB 3.38Å; E471-A475 PolarHBondContact O-N 3.09Å; L472-A475 PolarHBondContact O-N 2.91Å; A475-A478 PolarHBondContact O-N 3.03Å; A475-Q479 WeakPolarHBondContact O-CB 3.46Å; A475-Q479 PolarHBondContact O-N 3.44Å
476H82.1Confident81.1Confident132 Ų13280.9 Ų80.961%0.61150%0.503SS*.Hα-helixtrans-66.5-41.6176.9-169.4-179.2000111.5L472 A473 Q479 A480L472-H476 WeakPolarHBondContact O-CB 3.36Å; L472-H476 PolarHBondContact O-N 2.9Å; A473-H476 PolarHBondContact O-N 3.05Å; H476-Q479 PolarHBondContact O-N 3.16Å; H476-A480 WeakPolarHBondContact O-CB 3.49Å; H476-A480 PolarHBondContact O-N 2.76Å
477V84.6Confident81.5Confident96 Ų9680.9 Ų80.958%0.58250%0.504SS*.Hα-helixtrans-61.2-45.7173.4172.60000110.7A473 A474 Q479 A480 V481A473-V477 WeakPolarHBondContact O-CG2 3.33Å; A473-V477 PolarHBondContact O-N 2.71Å; A474-V477 PolarHBondContact O-N 2.79Å; V477-Q479 VanDerWaalsContact C-N 3.34Å; V477-Q479 PolarHBondContact O-N 3.38Å; V477-A480 PolarHBondContact O-N 2.93Å; V477-V481 WeakPolarHBondContact O-CG2 3.42Å; V477-V481 PolarHBondContact O-N 3.12Å
478A83Confident82.1Confident60 Ų6083.6 Ų83.650%0.49652%0.518SS..Hα-helixtrans-61.5-40.7176.500000112.3A474 A475 V481 A482A474-A478 WeakPolarHBondContact O-CB 3.31Å; A474-A478 PolarHBondContact O-N 3.4Å; A475-A478 PolarHBondContact O-N 3.03Å; A478-V481 PolarHBondContact O-N 3.13Å; A478-A482 WeakPolarHBondContact O-CB 3.26Å; A478-A482 PolarHBondContact O-N 2.96Å
479Q83.7Confident82.5Confident141 Ų14186.1 Ų86.166%0.65953%0.526SS*.Hα-helixtrans-67.8-38.8177.1-170175.211.800112.1A475 H476 V477 A482 A483A475-Q479 WeakPolarHBondContact O-CB 3.46Å; A475-Q479 PolarHBondContact O-N 3.44Å; H476-Q479 PolarHBondContact O-N 3.16Å; V477-Q479 VanDerWaalsContact C-N 3.34Å; V477-Q479 PolarHBondContact O-N 3.38Å; Q479-A482 PolarHBondContact O-N 3.29Å; Q479-A483 VanDerWaalsContact O-CB 3.26Å; Q479-A483 WeakPolarHBondContact O-CB 3.36Å; Q479-A483 PolarHBondContact O-N 2.93Å
480A84.1Confident82.9Confident54 Ų5481.7 Ų81.745%0.44651%0.513SS..Hα-helixtrans-64.8-42.8175.300000111.6H476 V477 A483 Q484H476-A480 WeakPolarHBondContact O-CB 3.49Å; H476-A480 PolarHBondContact O-N 2.76Å; V477-A480 PolarHBondContact O-N 2.93Å; A480-A483 PolarHBondContact O-N 3.15Å; A480-Q484 WeakPolarHBondContact O-CB 3.37Å; A480-Q484 PolarHBondContact O-N 3.3Å
481V87.1Confident83.3Confident99 Ų9985 Ų8560%0.652%0.52SS*.Hα-helixtrans-63.4-44174.8172.30000111.1V477 A478 Q484 A485V477-V481 WeakPolarHBondContact O-CG2 3.42Å; V477-V481 PolarHBondContact O-N 3.12Å; A478-V481 PolarHBondContact O-N 3.13Å; V481-Q484 PolarHBondContact O-N 2.96Å; V481-A485 WeakPolarHBondContact O-CB 3.29Å; V481-A485 PolarHBondContact O-N 3.34Å
482A84.4Confident83.6Confident59 Ų5981.9 Ų81.949%0.48852%0.515SS..Hα-helixtrans-65.1-39.4176.800000112.6A478 Q479 A485 A486A478-A482 WeakPolarHBondContact O-CB 3.26Å; A478-A482 PolarHBondContact O-N 2.96Å; Q479-A482 PolarHBondContact O-N 3.29Å; A482-A485 PolarHBondContact O-N 3.15Å; A482-A486 WeakPolarHBondContact O-CB 3.47Å; A482-A486 PolarHBondContact O-N 3.47Å
483A84.7Confident83.8Confident58 Ų5882 Ų8248%0.47951%0.513SS..Hα-helixtrans-66.6-40.3176.600000111.9Q479 A480 A486 A487Q479-A483 VanDerWaalsContact O-CB 3.26Å; Q479-A483 WeakPolarHBondContact O-CB 3.36Å; Q479-A483 PolarHBondContact O-N 2.93Å; A480-A483 PolarHBondContact O-N 3.15Å; A483-A486 PolarHBondContact O-N 3Å; A483-A487 WeakPolarHBondContact O-CB 3.44Å; A483-A487 PolarHBondContact O-N 3.11Å
484Q85.5Confident84.1Confident113 Ų11388.1 Ų88.153%0.52852%0.524SS..Hα-helixtrans-63.9-46.3174.7-173.160.440.200111A480 V481 A486 A487 D488A480-Q484 WeakPolarHBondContact O-CB 3.37Å; A480-Q484 PolarHBondContact O-N 3.3Å; V481-Q484 PolarHBondContact O-N 2.96Å; Q484-A486 VanDerWaalsContact C-N 3.29Å; Q484-A486 PolarHBondContact O-N 3.32Å; Q484-A487 PolarHBondContact O-N 2.78Å; Q484-A487 VanDerWaalsContact O-N 3.16Å; Q484-D488 PolarHBondContact NE2-OD1 3.49Å; Q484-D488 VanDerWaalsContact O-CG 3.23Å; Q484-D488 PolarHBondContact O-N 3.23Å
485A84.7Confident84.2Confident59 Ų5990.4 Ų90.449%0.48852%0.524SS..Hα-helixtrans-60.5-37.717600000112.5V481 A482 K489V481-A485 WeakPolarHBondContact O-CB 3.29Å; V481-A485 PolarHBondContact O-N 3.34Å; A482-A485 PolarHBondContact O-N 3.15Å; A485-K489 WeakPolarHBondContact O-CB 3.26Å; A485-K489 PolarHBondContact O-N 3.02Å
486A84.1Confident84.2Confident59 Ų5990.5 Ų90.549%0.48853%0.525SS..Hα-helixtrans-68.5-39.6174.800000112.6A482 A483 Q484 K489 A490A482-A486 WeakPolarHBondContact O-CB 3.47Å; A482-A486 PolarHBondContact O-N 3.47Å; A483-A486 PolarHBondContact O-N 3Å; Q484-A486 VanDerWaalsContact C-N 3.29Å; Q484-A486 PolarHBondContact O-N 3.32Å; A486-K489 PolarHBondContact O-N 3.45Å; A486-A490 WeakPolarHBondContact O-CB 3.22Å; A486-A490 PolarHBondContact O-N 3.32Å
487A85.1Confident84.2Confident46 Ų4687 Ų8738%0.3852%0.519SS..Hα-helixtrans-65.5-42.3175.800000111.8A483 Q484 A490 M491A483-A487 WeakPolarHBondContact O-CB 3.44Å; A483-A487 PolarHBondContact O-N 3.11Å; Q484-A487 PolarHBondContact O-N 2.78Å; Q484-A487 VanDerWaalsContact O-N 3.16Å; A487-A490 PolarHBondContact O-N 3.33Å; A487-M491 PolarHBondContact O-N 2.85Å
488D85.4Confident84.1Confident92 Ų9289.4 Ų89.449%0.49252%0.522SS..Hα-helixtrans-63.9-41.7176.5-66.5-20.4000110.9Q484 M491 A492Q484-D488 PolarHBondContact NE2-OD1 3.49Å; Q484-D488 VanDerWaalsContact O-CG 3.23Å; Q484-D488 PolarHBondContact O-N 3.23Å; D488-M491 PolarHBondContact O-N 3.01Å; D488-A492 WeakPolarHBondContact O-CB 3.38Å; D488-A492 PolarHBondContact O-N 3.34Å
489K84.5Confident84.1Confident135 Ų13592.6 Ų92.659%0.58752%0.524SS*.Hα-helixtrans-63.4-43.3173.8-172.5177.8177-177.90112.2A485 A486 M491 A492 E493A485-K489 WeakPolarHBondContact O-CB 3.26Å; A485-K489 PolarHBondContact O-N 3.02Å; A486-K489 PolarHBondContact O-N 3.45Å; K489-M491 PolarHBondContact O-N 3.49Å; K489-A492 PolarHBondContact O-N 2.99Å; K489-E493 WeakPolarHBondContact CE-OE1 3.47Å; K489-E493 WeakPolarHBondContact O-CB 3.41Å; K489-E493 WeakPolarHBondContact O-CG 3.29Å; K489-E493 PolarHBondContact O-N 3.3Å
490A84.8Confident83.9Confident46 Ų4688.5 Ų88.538%0.3852%0.515SS..Hα-helixtrans-66.5-36.1178.300000112.7A486 A487 R494A486-A490 WeakPolarHBondContact O-CB 3.22Å; A486-A490 PolarHBondContact O-N 3.32Å; A487-A490 PolarHBondContact O-N 3.33Å; A490-R494 WeakPolarHBondContact O-CB 3.31Å; A490-R494 WeakPolarHBondContact O-CG 3.47Å; A490-R494 PolarHBondContact O-N 3.17Å
491M83.2Confident83.6Confident127 Ų12788.8 Ų88.863%0.62652%0.517SS*.Hα-helixtrans-65.8-43.8172.5-80.4-74.4-7800111.4A487 D488 K489 R494 E495A487-M491 PolarHBondContact O-N 2.85Å; D488-M491 PolarHBondContact O-N 3.01Å; K489-M491 PolarHBondContact O-N 3.49Å; M491-R494 PolarHBondContact O-N 3.01Å; M491-E495 WeakPolarHBondContact O-CB 3.46Å; M491-E495 PolarHBondContact O-N 2.97Å
492A85.7Confident83.2Confident58 Ų5890.1 Ų90.148%0.47952%0.518SS..Hα-helixtrans-61.9-42.6175.100000112.2D488 K489 E495 A496D488-A492 WeakPolarHBondContact O-CB 3.38Å; D488-A492 PolarHBondContact O-N 3.34Å; K489-A492 PolarHBondContact O-N 2.99Å; A492-E495 PolarHBondContact O-N 2.81Å; A492-A496 WeakPolarHBondContact O-CB 3.21Å; A492-A496 PolarHBondContact O-N 2.85Å
493E82.1Confident82.8Confident115 Ų11590.7 Ų90.754%0.53752%0.517SS..Hα-helixtrans-65.4-40.3175.6-76.2176.1-175.300112.3K489 A496 A497K489-E493 WeakPolarHBondContact CE-OE1 3.47Å; K489-E493 WeakPolarHBondContact O-CB 3.41Å; K489-E493 WeakPolarHBondContact O-CG 3.29Å; K489-E493 PolarHBondContact O-N 3.3Å; E493-A496 PolarHBondContact O-N 3.21Å; E493-A497 WeakPolarHBondContact O-CB 3.31Å; E493-A497 PolarHBondContact O-N 3.25Å
494R85.2Confident82.4Confident186 Ų18691.4 Ų91.470%0.70252%0.516SS*.Hα-helixtrans-64.3-41173.9-84-177.8173.9160.9-0.3112.4A490 M491 A497 K498A490-R494 WeakPolarHBondContact O-CB 3.31Å; A490-R494 WeakPolarHBondContact O-CG 3.47Å; A490-R494 PolarHBondContact O-N 3.17Å; M491-R494 PolarHBondContact O-N 3.01Å; R494-A497 PolarHBondContact O-N 3.08Å; R494-K498 WeakPolarHBondContact O-CB 3.43Å; R494-K498 PolarHBondContact O-N 3Å
495E83.1Confident81.6Confident108 Ų10888.7 Ų88.751%0.50551%0.513SS..Hα-helixtrans-67.1-40.3176.7-162-173.614700111.2M491 A492 K498 K499M491-E495 WeakPolarHBondContact O-CB 3.46Å; M491-E495 PolarHBondContact O-N 2.97Å; A492-E495 PolarHBondContact O-N 2.81Å; E495-K498 PolarHBondContact O-N 3.36Å; E495-K499 WeakPolarHBondContact O-CG 3.49Å; E495-K499 PolarHBondContact O-N 3.33Å; E495-K499 VanDerWaalsContact OE1-CE 3.26Å; E495-K499 WeakPolarHBondContact OE1-CE 3.29Å; E495-K499 IonicContact OE1-NZ 2.63Å; E495-K499 PolarHBondContact OE1-NZ 2.99Å
496A81.8Confident81Confident58 Ų5888.8 Ų88.848%0.47951%0.514SS..Hα-helixtrans-62-44.4172.900000111.8A492 E493 K498 K499 A500A492-A496 WeakPolarHBondContact O-CB 3.21Å; A492-A496 PolarHBondContact O-N 2.85Å; E493-A496 PolarHBondContact O-N 3.21Å; A496-K498 PolarHBondContact O-N 2.93Å; A496-K499 PolarHBondContact O-N 2.88Å; A496-A500 WeakPolarHBondContact O-CB 3.28Å; A496-A500 PolarHBondContact O-N 2.97Å
497A81.1Confident80.4Confident58 Ų5891.2 Ų91.248%0.47952%0.515SS..Hα-helixtrans-63.1-39.917600000112E493 R494 A500 A501E493-A497 WeakPolarHBondContact O-CB 3.31Å; E493-A497 PolarHBondContact O-N 3.25Å; R494-A497 PolarHBondContact O-N 3.08Å; A497-A500 PolarHBondContact O-N 3.13Å; A497-A501 WeakPolarHBondContact O-CB 3.13Å; A497-A501 PolarHBondContact O-N 2.99Å
498K81.7Confident79.2Confident146 Ų14691 Ų9164%0.63551%0.507SS*.Hα-helixtrans-64.6-43.5175.4-171176.4-179.8178.50111.7R494 E495 A496 A501 M502R494-K498 WeakPolarHBondContact O-CB 3.43Å; R494-K498 PolarHBondContact O-N 3Å; E495-K498 PolarHBondContact O-N 3.36Å; A496-K498 PolarHBondContact O-N 2.93Å; K498-A501 PolarHBondContact O-N 3.25Å; K498-M502 WeakPolarHBondContact O-CG 3.35Å; K498-M502 PolarHBondContact O-N 3.17Å
499K83.3Confident78.2Confident128 Ų12889.4 Ų89.456%0.55751%0.507SS*.Hα-helixtrans-62.8-42.7174.5-74.2174.3-174.8163.10111.6E495 A496 M502 C503E495-K499 WeakPolarHBondContact O-CG 3.49Å; E495-K499 PolarHBondContact O-N 3.33Å; E495-K499 VanDerWaalsContact OE1-CE 3.26Å; E495-K499 WeakPolarHBondContact OE1-CE 3.29Å; E495-K499 IonicContact OE1-NZ 2.63Å; E495-K499 PolarHBondContact OE1-NZ 2.99Å; A496-K499 PolarHBondContact O-N 2.88Å; K499-M502 PolarHBondContact O-N 2.91Å; K499-C503 PolarHBondContact O-N 2.92Å
500A79.2Confident77.4Confident55 Ų5590.1 Ų90.146%0.45551%0.512SS..Hα-helixtrans-62.9-45.8175.700000111.8A496 A497 M502 C503 V504A496-A500 WeakPolarHBondContact O-CB 3.28Å; A496-A500 PolarHBondContact O-N 2.97Å; A497-A500 PolarHBondContact O-N 3.13Å; A500-M502 VanDerWaalsContact C-N 3.33Å; A500-M502 PolarHBondContact O-N 2.9Å; A500-C503 WeakPolarHBondContact O-CB 3.43Å; A500-C503 PolarHBondContact O-N 2.96Å; A500-C503 VanDerWaalsContact O-N 3.15Å; A500-V504 WeakPolarHBondContact O-CG2 3.43Å; A500-V504 PolarHBondContact O-N 3.44Å
501A78.2Confident76.3Confident59 Ų5992.3 Ų92.349%0.48852%0.517SS..Hα-helixtrans-61.3-39.2176.300000112.3A497 K498 V504 A505A497-A501 WeakPolarHBondContact O-CB 3.13Å; A497-A501 PolarHBondContact O-N 2.99Å; K498-A501 PolarHBondContact O-N 3.25Å; A501-V504 PolarHBondContact O-N 3.48Å; A501-A505 VanDerWaalsContact O-CB 3.27Å; A501-A505 WeakPolarHBondContact O-CB 3.46Å; A501-A505 PolarHBondContact O-N 3.47Å
502M78.6Confident74.9Confident128 Ų12895.9 Ų95.963%0.63152%0.523SS*.Hα-helixtrans-64.8-39.6173.6-74178.966.700112.4K498 K499 A500 A505 A506K498-M502 WeakPolarHBondContact O-CG 3.35Å; K498-M502 PolarHBondContact O-N 3.17Å; K499-M502 PolarHBondContact O-N 2.91Å; A500-M502 VanDerWaalsContact C-N 3.33Å; A500-M502 PolarHBondContact O-N 2.9Å; M502-A505 PolarHBondContact O-N 3.42Å; M502-A506 WeakPolarHBondContact O-CB 3.5Å; M502-A506 PolarHBondContact O-N 3.48Å
503C76.9Confident73.7Confident70 Ų7097 Ų9747%0.47353%0.532SS..Hα-helixtrans-65.8-44.7176.4-172.10000111.5K499 A500 A506 Q507K499-C503 PolarHBondContact O-N 2.92Å; A500-C503 WeakPolarHBondContact O-CB 3.43Å; A500-C503 PolarHBondContact O-N 2.96Å; A500-C503 VanDerWaalsContact O-N 3.15Å; C503-A506 PolarHBondContact O-N 3.44Å; C503-Q507 WeakPolarHBondContact O-CG 3.46Å; C503-Q507 PolarHBondContact O-N 3.42Å
504V75.3Confident72.6Confident74 Ų7493.4 Ų93.445%0.44853%0.526SS..Hα-helixtrans-62.1-45.4174.6172.60000110.5A500 A501 A506 Q507 L508A500-V504 WeakPolarHBondContact O-CG2 3.43Å; A500-V504 PolarHBondContact O-N 3.44Å; A501-V504 PolarHBondContact O-N 3.48Å; V504-A506 VanDerWaalsContact C-N 3.3Å; V504-A506 PolarHBondContact O-N 3.13Å; V504-Q507 PolarHBondContact O-N 3.34Å; V504-L508 HydrophobicContact CG1-CD1 3.62Å; V504-L508 HydrophobicContact CG1-CG 4.21Å; V504-L508 WeakPolarHBondContact O-CB 3.16Å; V504-L508 WeakPolarHBondContact O-CD1 3.39Å; V504-L508 WeakPolarHBondContact O-CG 3.29Å; V504-L508 PolarHBondContact O-N 3.06Å
505A68.5Low71.2Confident56 Ų5694.4 Ų94.446%0.46354%0.536SS..Hα-helixtrans-60.3-38.1176.100000112.7A501 M502 L508 A509A501-A505 VanDerWaalsContact O-CB 3.27Å; A501-A505 WeakPolarHBondContact O-CB 3.46Å; A501-A505 PolarHBondContact O-N 3.47Å; M502-A505 PolarHBondContact O-N 3.42Å; A505-L508 PolarHBondContact O-N 2.9Å; A505-A509 WeakPolarHBondContact O-CB 3.46Å; A505-A509 PolarHBondContact O-N 3.22Å
506A72.6Confident70Confident61 Ų6194.3 Ų94.350%0.50454%0.539SS..Hα-helixtrans-66.6-45.7175.200000112M502 C503 V504 L508 A509 E510M502-A506 WeakPolarHBondContact O-CB 3.5Å; M502-A506 PolarHBondContact O-N 3.48Å; C503-A506 PolarHBondContact O-N 3.44Å; V504-A506 VanDerWaalsContact C-N 3.3Å; V504-A506 PolarHBondContact O-N 3.13Å; A506-L508 VanDerWaalsContact C-N 3.29Å; A506-L508 PolarHBondContact O-N 3.05Å; A506-A509 WeakPolarHBondContact O-CB 3.15Å; A506-A509 PolarHBondContact O-N 2.88Å; A506-E510 PolarHBondContact O-N 2.91Å
507Q71.6Confident68.8Low109 Ų10998.2 Ų98.251%0.50955%0.552SS.*Hα-helixtrans-61.6-38.6174.9-72.3177.2-9.400111.8C503 V504 E510 I511C503-Q507 WeakPolarHBondContact O-CG 3.46Å; C503-Q507 PolarHBondContact O-N 3.42Å; V504-Q507 PolarHBondContact O-N 3.34Å; Q507-E510 WeakPolarHBondContact O-CB 3.34Å; Q507-E510 PolarHBondContact O-N 2.93Å; Q507-I511 WeakPolarHBondContact O-CG1 3.38Å; Q507-I511 PolarHBondContact O-N 3.3Å
508L61.2Low67.7Low41 Ų41104.4 Ų104.422%0.21556%0.564CS.*Hα-helixtrans-68.6-34.6176.7-71.2165.4000112.8V504 A505 A506 E510 I511 R512 Y523V504-L508 HydrophobicContact CG1-CD1 3.62Å; V504-L508 HydrophobicContact CG1-CG 4.21Å; V504-L508 WeakPolarHBondContact O-CB 3.16Å; V504-L508 WeakPolarHBondContact O-CD1 3.39Å; V504-L508 WeakPolarHBondContact O-CG 3.29Å; V504-L508 PolarHBondContact O-N 3.06Å; A505-L508 PolarHBondContact O-N 2.9Å; A506-L508 VanDerWaalsContact C-N 3.29Å; A506-L508 PolarHBondContact O-N 3.05Å; L508-E510 VanDerWaalsContact C-N 3.32Å; L508-I511 PolarHBondContact O-N 3.21Å; L508-R512 PolarHBondContact O-N 3.27Å; L508-Y523 HydrophobicContact CD1-CE1 4.43Å; L508-Y523 HydrophobicContact CD1-CE2 3.86Å; L508-Y523 WeakPolarHBondContact CD1-OH 3.45Å; L508-Y523 HydrophobicContact CD2-CD2 3.76Å; L508-Y523 HydrophobicContact CD2-CE1 4.47Å; L508-Y523 HydrophobicContact CD2-CE2 3.26Å; L508-Y523 HydrophobicContact CG-CE2 4.2Å
509A64.6Low66.6Low60 Ų6099 Ų9950%0.49655%0.547SS..Hα-helixtrans-66.6-36.5172.400000111.5A505 A506 R512 A513A505-A509 WeakPolarHBondContact O-CB 3.46Å; A505-A509 PolarHBondContact O-N 3.22Å; A506-A509 WeakPolarHBondContact O-CB 3.15Å; A506-A509 PolarHBondContact O-N 2.88Å; A509-R512 PolarHBondContact O-N 3.36Å; A509-A513 PolarHBondContact O-N 3.07Å; A509-A513 VanDerWaalsContact O-N 3.12Å
510E66.3Low65.3Low149 Ų14995.7 Ų95.770%0.69654%0.543SS*.Hα-helixtrans-66.8-42.2174.3-167.6168.6-161.800111.9A506 Q507 L508 R512 A513 G514A506-E510 PolarHBondContact O-N 2.91Å; Q507-E510 WeakPolarHBondContact O-CB 3.34Å; Q507-E510 PolarHBondContact O-N 2.93Å; L508-E510 VanDerWaalsContact C-N 3.32Å; E510-R512 VanDerWaalsContact C-N 3.34Å; E510-R512 PolarHBondContact O-N 3.44Å; E510-A513 WeakPolarHBondContact O-CB 3.32Å; E510-A513 PolarHBondContact O-N 2.78Å; E510-A513 VanDerWaalsContact O-N 3.1Å; E510-G514 PolarHBondContact O-N 2.86Å; E510-G514 VanDerWaalsContact O-N 3.12Å
511I61.2Low64.3Low92 Ų92101.1 Ų101.147%0.47255%0.553SS.*Hα-helixtrans-62.5-40.2173.3-66.4166.5000111.1Q507 L508 A513 G514 A519Q507-I511 WeakPolarHBondContact O-CG1 3.38Å; Q507-I511 PolarHBondContact O-N 3.3Å; L508-I511 PolarHBondContact O-N 3.21Å; I511-A513 PolarHBondContact O-N 3.12Å; I511-G514 CarbonylContact O-C 3.5Å; I511-G514 WeakPolarHBondContact O-CA 3.47Å; I511-G514 PolarHBondContact O-N 3.18Å; I511-G514 VanDerWaalsContact O-N 3.13Å; I511-A519 HydrophobicContact CG2-CB 3.84Å
512R55.3Low63.4Low202 Ų202100.5 Ų100.576%0.76255%0.548SS*.Hα-helixtrans-64.6-26.1174.3-82.6-177.7175.8179-0.4113.6L508 A509 E510L508-R512 PolarHBondContact O-N 3.27Å; A509-R512 PolarHBondContact O-N 3.36Å; E510-R512 VanDerWaalsContact C-N 3.34Å; E510-R512 PolarHBondContact O-N 3.44Å
513A59Low62.3Low81 Ų8198.6 Ų98.667%0.66953%0.534SS*.Hα-helixtrans-77.7-26.9174.400000111.9A509 E510 I511A509-A513 PolarHBondContact O-N 3.07Å; A509-A513 VanDerWaalsContact O-N 3.12Å; E510-A513 WeakPolarHBondContact O-CB 3.32Å; E510-A513 PolarHBondContact O-N 2.78Å; E510-A513 VanDerWaalsContact O-N 3.1Å; I511-A513 PolarHBondContact O-N 3.12Å
514G60.6Low61.5Low40 Ų4099 Ų9941%0.41254%0.543SS..THydrogen-bonded Turntrans-73.2120.9164.200000110E510 I511 D516E510-G514 PolarHBondContact O-N 2.86Å; E510-G514 VanDerWaalsContact O-N 3.12Å; I511-G514 CarbonylContact O-C 3.5Å; I511-G514 WeakPolarHBondContact O-CA 3.47Å; I511-G514 PolarHBondContact O-N 3.18Å; I511-G514 VanDerWaalsContact O-N 3.13Å; G514-D516 PolarHBondContact O-N 2.79Å
515K54.4Low60.7Low207 Ų207100.2 Ų100.290%0.955%0.55SS**THydrogen-bonded Turntrans-71.358.2-177.9-65.4172.3177.51740112.6
516D58.2Low60.2Low106 Ų106102.5 Ų102.557%0.56756%0.562SS**  trans-109.286.8178.2-152.8-12000109.6G514 Y518 A519G514-D516 PolarHBondContact O-N 2.79Å; D516-Y518 PolarHBondContact O-N 2.9Å; D516-Y518 VanDerWaalsContact O-N 3.08Å; D516-A519 HydrophobicContact CB-CB 4.46Å; D516-A519 PolarHBondContact O-N 2.99Å
517D57.4Low59.3Low141 Ų141103.2 Ų103.275%0.75456%0.56SS**Hα-helixtrans-57.7-23.7-175.9-70.5-26000112.7Y521D517-Y521 PolarHBondContact O-N 3.45Å
518Y57.1Low58.2Low187 Ų187105.8 Ų105.873%0.73358%0.576SS**Hα-helixtrans-70.7-37.3177.6-168-101.6000112.4D516 Y521 A522D516-Y518 PolarHBondContact O-N 2.9Å; D516-Y518 VanDerWaalsContact O-N 3.08Å; Y518-Y521 PolarHBondContact O-N 3.08Å; Y518-A522 PolarHBondContact O-N 3.45Å
519A59.1Low57.5Low34 Ų34109.6 Ų109.628%0.28160%0.603SS.*Hα-helixtrans-68.9-35.6178.400000111.8I511 D516 Y523I511-A519 HydrophobicContact CG2-CB 3.84Å; D516-A519 HydrophobicContact CB-CB 4.46Å; D516-A519 PolarHBondContact O-N 2.99Å; A519-Y523 VanDerWaalsContact O-CB 3.27Å; A519-Y523 WeakPolarHBondContact O-CB 3.2Å; A519-Y523 PolarHBondContact O-N 3.43Å
520A55.8Low56.5Low57 Ų57115.4 Ų115.447%0.47162%0.62SS.*Hα-helixtrans-66.3-36.9176.900000112.9A524A520-A524 PolarHBondContact O-N 3.18Å; A520-A524 VanDerWaalsContact O-N 3.17Å
521Y58.3Low55.3Low170 Ų170117 Ų11767%0.66763%0.628SS**Hα-helixtrans-72.7-46.2-179.8-179.3-98.3000113.2D517 Y518 Y523 A524 T525D517-Y521 PolarHBondContact O-N 3.45Å; Y518-Y521 PolarHBondContact O-N 3.08Å; Y521-Y523 PolarHBondContact O-N 2.85Å; Y521-A524 PolarHBondContact O-N 3.11Å; Y521-T525 PolarHBondContact O-OG1 3.44Å
522A59.3Low54.3Low46 Ų46121.2 Ų121.238%0.3865%0.645SS.*Hα-helixtrans-61.6-29.2176.600000112.1Y518 T525 C526Y518-A522 PolarHBondContact O-N 3.45Å; A522-T525 PolarHBondContact O-OG1 3.21Å; A522-T525 VanDerWaalsContact O-OG1 3.12Å; A522-C526 PolarHBondContact O-SG 3.1Å
523Y54.7Low53.7Low87 Ų87117.8 Ų117.834%0.34165%0.649SS.*Hα-helixtrans-80-39.8-179.3-163.7-93.1000113.4L508 A519 Y521 T525 C526 V527L508-Y523 HydrophobicContact CD1-CE1 4.43Å; L508-Y523 HydrophobicContact CD1-CE2 3.86Å; L508-Y523 WeakPolarHBondContact CD1-OH 3.45Å; L508-Y523 HydrophobicContact CD2-CD2 3.76Å; L508-Y523 HydrophobicContact CD2-CE1 4.47Å; L508-Y523 HydrophobicContact CD2-CE2 3.26Å; L508-Y523 HydrophobicContact CG-CE2 4.2Å; A519-Y523 VanDerWaalsContact O-CB 3.27Å; A519-Y523 WeakPolarHBondContact O-CB 3.2Å; A519-Y523 PolarHBondContact O-N 3.43Å; Y521-Y523 PolarHBondContact O-N 2.85Å; Y523-T525 PolarHBondContact O-N 3.25Å; Y523-T525 VanDerWaalsContact O-N 3.15Å; Y523-C526 PolarHBondContact O-N 2.62Å; Y523-C526 VanDerWaalsContact O-N 3.13Å; Y523-V527 HydrophobicContact CD1-CG2 4.42Å; Y523-V527 HydrophobicContact CE1-CB 4.3Å; Y523-V527 HydrophobicContact CE1-CG2 3.86Å; Y523-V527 HydrophobicContact CE2-CG2 4Å; Y523-V527 PolarHBondContact O-N 3.17Å
524A60.6Low52.7Low79 Ų79119.5 Ų119.565%0.65366%0.656SS**Hα-helixtrans-61.2-22.7177.300000113.3A520 Y521A520-A524 PolarHBondContact O-N 3.18Å; A520-A524 VanDerWaalsContact O-N 3.17Å; Y521-A524 PolarHBondContact O-N 3.11Å
525T59.3Low52Low99 Ų99124.9 Ų124.961%0.60768%0.675SS**THydrogen-bonded Turntrans-90.9-15.3179.230.20000113.9Y521 A522 Y523Y521-T525 PolarHBondContact O-OG1 3.44Å; A522-T525 PolarHBondContact O-OG1 3.21Å; A522-T525 VanDerWaalsContact O-OG1 3.12Å; Y523-T525 PolarHBondContact O-N 3.25Å; Y523-T525 VanDerWaalsContact O-N 3.15Å
526C58.4Low51.2Low105 Ų105120.4 Ų120.471%0.70967%0.667SS**THydrogen-bonded Turntrans-106.1-8.5-174.7-63.90000114.8A522 Y523A522-C526 PolarHBondContact O-SG 3.1Å; Y523-C526 PolarHBondContact O-N 2.62Å; Y523-C526 VanDerWaalsContact O-N 3.13Å
527V53.1Low50.5Low75 Ų75122.5 Ų122.546%0.45568%0.679SS.*  trans-127.194.4-175.9-173.70000110.6Y523Y523-V527 HydrophobicContact CD1-CG2 4.42Å; Y523-V527 HydrophobicContact CE1-CB 4.3Å; Y523-V527 HydrophobicContact CE1-CG2 3.86Å; Y523-V527 HydrophobicContact CE2-CG2 4Å; Y523-V527 PolarHBondContact O-N 3.17Å
528L48.4Very low49.7Very low164 Ų164126.6 Ų126.686%0.85969%0.685SS**  trans-76.7129.1167.8-72.8171.1000109.6Q530L528-Q530 PolarHBondContact O-N 3.24Å
529P46.7Very low48.8Very low120 Ų120126.8 Ų126.878%0.77969%0.69SS**  trans-73.3121.2176.5-5.721.1000110.3Q531P529-Q531 PolarHBondContact O-N 2.61Å
530Q42.7Very low47.6Very low182 Ų182133.5 Ų133.585%0.8572%0.715SS**  trans-77.7111.2161.9-70.1-156.7-3900108.6L528L528-Q530 PolarHBondContact O-N 3.24Å
531Q41.1Very low46.8Very low183 Ų183138.5 Ų138.586%0.85573%0.732SS**  trans-82.9113.9175.5-157.9171.9-1.100108.2P529P529-Q531 PolarHBondContact O-N 2.61Å
532E40.2Very low45.8Very low180 Ų180135.3 Ų135.384%0.84174%0.735SS**  trans-68.9127.2170.9-70.4-176.4161.500109.6S534E532-S534 PolarHBondContact O-N 3.04Å
533P43.8Very low44.6Very low131 Ų131142 Ų14285%0.85176%0.761SS**  trans-84.8108.6169.528-21.6000109.5
534S37.7Very low43.7Very low116 Ų116145.6 Ų145.681%0.81179%0.786SS**  trans-79.3113.3163.753.80000109.9E532E532-S534 PolarHBondContact O-N 3.04Å
535D45Very low42.5Very low153 Ų153145.4 Ų145.482%0.81878%0.78SS**  trans-155.2124153-146.3-5.6000111
536P38.8Very low41.5Very low113 Ų113144.5 Ų144.573%0.73479%0.791SS**  trans-103.695.1179.135.6-22.6000110.4
537D42.2Very low40.5Very low150 Ų150150.7 Ų150.780%0.80280%0.799SS**  trans-167.1156.4153.6-114.4-25.5000110
538Y40.9Very low39.5Very low227 Ų227155.9 Ų155.989%0.8982%0.816SS**  trans108.698.6177.6-69.8-85.3000117.2
539K39.7Very low39.1Very low192 Ų192151.4 Ų151.484%0.83580%0.797SS**  trans-63.7136.5164.6-75.9176.7172.3178.60112.6
540E33.3Very low38.9Very low174 Ų174151.5 Ų151.581%0.81380%0.796SS**  52.2108127.3-148170.6-14500118.3
541I38.3Very low38.9Very low162 Ų162146.7 Ų146.783%0.83179%0.787SS**  trans-159.6122.8140.1-87.7138.5000109.5
542S38Very low38.8Very low104 Ų104145.9 Ų145.973%0.72778%0.778SS**  trans28.9118.715769.80000121.2D544S542-D544 PolarHBondContact O-N 2.78Å
543M33.8Very low39Very low185 Ų185143.7 Ų143.791%0.91177%0.767SS**  trans-67.6109.5165.5-74.2-177168.700111.9
544D35Very low39.2Very low164 Ų164143.6 Ų143.688%0.87776%0.759SS**  trans-14075.6154.1-154.915.3000105.8S542S542-D544 PolarHBondContact O-N 2.78Å
545S36Very low39.9Very low74 Ų74141.6 Ų141.652%0.51774%0.742SS.*  trans-113.865.2-157.456.50000114.5R547S545-R547 PolarHBondContact O-N 3.28Å
546G37.6Very low40.4Very low81 Ų81138 Ų13884%0.83573%0.726SS**  trans-70.970.4147.100000110.5
547R37.5Very low41.3Very low235 Ų235135 Ų13589%0.88771%0.711SS**  trans-177.583.7169.6-107.7172.8-167.8-167.74.5109.9S545S545-R547 PolarHBondContact O-N 3.28Å
548F33.7Very low42Very low184 Ų184130.2 Ų130.281%0.80769%0.692SS**  trans-136.1136163.1-97.4-83.5000109.8
549C38.6Very low42.7Very low70 Ų70121.9 Ų121.947%0.47367%0.671SS.*  trans79.362.4169.6-72.90000119.7A551C549-A551 VanDerWaalsContact C-N 3.35Å
550T42.2Very low44Very low122 Ų122116.7 Ų116.775%0.74865%0.652SS**SBendtrans-83.6-6151.939.10000113.6
551A43.3Very low45.7Very low81 Ų81113.6 Ų113.667%0.66964%0.641SS**SBendtrans-87.5-20.5-179.400000114.6C549C549-A551 VanDerWaalsContact C-N 3.35Å
552Y39.6Very low47Very low166 Ų166110.9 Ų110.965%0.65163%0.627SS**SBendtrans-89.8-12.2179.7-92.3-86.6000114.3T555 T556Y552-T555 PolarHBondContact O-OG1 2.91Å; Y552-T556 PolarHBondContact O-OG1 3.39Å
553Q44.2Very low48.4Very low133 Ų133110.6 Ų110.662%0.62161%0.614SS**Hα-helixtrans-75.7-24.4-178.3-71179-16.200112.9A557Q553-A557 WeakPolarHBondContact O-CB 3.27Å; Q553-A557 PolarHBondContact O-N 3.12Å
554N48.5Very low50.1Low129 Ų129105.3 Ų105.369%0.6960%0.595SS**Hα-helixtrans-79.8-27.3-179-72.1-13.9000113.4A558N554-A558 WeakPolarHBondContact O-CB 3.3Å; N554-A558 PolarHBondContact O-N 2.63Å
555T52.5Low51.8Low74 Ų74101.2 Ų101.245%0.45458%0.579SS.*Hα-helixtrans-78-37.8177.547.90000111.9Y552 A558 A559Y552-T555 PolarHBondContact O-OG1 2.91Å; T555-A558 PolarHBondContact O-N 3.04Å; T555-A559 WeakPolarHBondContact O-CB 3.27Å; T555-A559 PolarHBondContact O-N 3.2Å
556T54.6Low53.1Low78 Ų78102 Ų10248%0.47958%0.577SS.*Hα-helixtrans-67.7-38.3173.7-480000111.9Y552 A559 N560Y552-T556 PolarHBondContact O-OG1 3.39Å; T556-A559 PolarHBondContact O-N 3.46Å; T556-N560 WeakPolarHBondContact O-CB 3.43Å; T556-N560 PolarHBondContact O-N 3Å; T556-N560 PolarHBondContact O-ND2 2.89Å
557A58.6Low54.6Low49 Ų49104.2 Ų104.241%0.40556%0.564SS.*Hα-helixtrans-65.3-39.4175.700000112.5Q553 N561Q553-A557 WeakPolarHBondContact O-CB 3.27Å; Q553-A557 PolarHBondContact O-N 3.12Å; A557-N561 WeakPolarHBondContact O-CB 3.4Å; A557-N561 PolarHBondContact O-N 3.41Å
558A56.2Low56.1Low50 Ų5095.7 Ų95.741%0.41354%0.544SS..Hα-helixtrans-67.2-43.2174.900000112.1N554 T555 N561 I562N554-A558 WeakPolarHBondContact O-CB 3.3Å; N554-A558 PolarHBondContact O-N 2.63Å; T555-A558 PolarHBondContact O-N 3.04Å; A558-N561 PolarHBondContact O-N 3.29Å; A558-I562 VanDerWaalsContact O-CG1 3.31Å; A558-I562 WeakPolarHBondContact O-CG1 3.33Å; A558-I562 PolarHBondContact O-N 3.39Å
559A56.5Low57.3Low53 Ų5394.6 Ų94.644%0.43854%0.535SS..Hα-helixtrans-62.6-43.217600000112.1T555 T556 N561 I562 E563T555-A559 WeakPolarHBondContact O-CB 3.27Å; T555-A559 PolarHBondContact O-N 3.2Å; T556-A559 PolarHBondContact O-N 3.46Å; A559-N561 VanDerWaalsContact C-N 3.35Å; A559-N561 PolarHBondContact O-N 3.26Å; A559-I562 PolarHBondContact O-N 2.84Å; A559-E563 PolarHBondContact O-N 3.45Å
560N65.2Low58.4Low83 Ų8395.4 Ų95.444%0.44453%0.534SS..Hα-helixtrans-64.6-37.4176.1-72.6-15.8000112.1T556 S564T556-N560 WeakPolarHBondContact O-CB 3.43Å; T556-N560 PolarHBondContact O-N 3Å; T556-N560 PolarHBondContact O-ND2 2.89Å; N560-S564 VanDerWaalsContact O-CB 3.26Å; N560-S564 WeakPolarHBondContact O-CB 3.29Å; N560-S564 PolarHBondContact O-N 3.24Å; N560-S564 PolarHBondContact O-OG 3.08Å
561N70.3Confident59.1Low109 Ų10994.6 Ų94.658%0.58353%0.529SS*.Hα-helixtrans-67.5-37.2174.8-84.9-23.7000112.3A557 A558 A559 S565A557-N561 WeakPolarHBondContact O-CB 3.4Å; A557-N561 PolarHBondContact O-N 3.41Å; A558-N561 PolarHBondContact O-N 3.29Å; A559-N561 VanDerWaalsContact C-N 3.35Å; A559-N561 PolarHBondContact O-N 3.26Å; N561-S565 WeakPolarHBondContact O-CB 3.33Å; N561-S565 PolarHBondContact O-N 3.38Å; N561-S565 PolarHBondContact O-OG 3.23Å
562I64.3Low59.7Low105 Ų10595.3 Ų95.354%0.53853%0.529SS..Hα-helixtrans-68-45.6175-68165.8000110.4A558 A559 S564 S565 L566A558-I562 VanDerWaalsContact O-CG1 3.31Å; A558-I562 WeakPolarHBondContact O-CG1 3.33Å; A558-I562 PolarHBondContact O-N 3.39Å; A559-I562 PolarHBondContact O-N 2.84Å; I562-S564 VanDerWaalsContact C-N 3.32Å; I562-S564 PolarHBondContact O-N 2.69Å; I562-S565 PolarHBondContact O-N 3.47Å; I562-L566 HydrophobicContact CG2-CD1 3.82Å; I562-L566 WeakPolarHBondContact O-CB 3.48Å; I562-L566 PolarHBondContact O-N 3.12Å
563E68.2Low60.1Low98 Ų9892.4 Ų92.446%0.45853%0.525SS..Hα-helixtrans-63.2-39.3177.3-163.6-171.5158.800111.6A559 L566 K567A559-E563 PolarHBondContact O-N 3.45Å; E563-L566 PolarHBondContact O-N 2.91Å; E563-K567 WeakPolarHBondContact O-CB 3.46Å; E563-K567 WeakPolarHBondContact O-CG 3.47Å; E563-K567 PolarHBondContact O-N 2.99Å; E563-K567 VanDerWaalsContact OE1-CE 3.28Å; E563-K567 WeakPolarHBondContact OE1-CE 3.26Å; E563-K567 IonicContact OE1-NZ 2.69Å; E563-K567 PolarHBondContact OE1-NZ 3.36Å
564S70.1Confident60.1Low73 Ų7390.8 Ų90.851%0.5152%0.524SS..Hα-helixtrans-64.6-40.4174.3-57.10000111.7N560 I562 A568N560-S564 VanDerWaalsContact O-CB 3.26Å; N560-S564 WeakPolarHBondContact O-CB 3.29Å; N560-S564 PolarHBondContact O-N 3.24Å; N560-S564 PolarHBondContact O-OG 3.08Å; I562-S564 VanDerWaalsContact C-N 3.32Å; I562-S564 PolarHBondContact O-N 2.69Å; S564-A568 VanDerWaalsContact O-CB 3.3Å; S564-A568 WeakPolarHBondContact O-CB 3.05Å; S564-A568 PolarHBondContact O-N 3.04Å
565S69.7Low59.8Low78 Ų7892.5 Ų92.555%0.54553%0.533SS..Hα-helixtrans-69.6-37.9177.1-590000112.2N561 I562 A568 W569N561-S565 WeakPolarHBondContact O-CB 3.33Å; N561-S565 PolarHBondContact O-N 3.38Å; N561-S565 PolarHBondContact O-OG 3.23Å; I562-S565 PolarHBondContact O-N 3.47Å; S565-A568 PolarHBondContact O-N 3.34Å; S565-W569 WeakPolarHBondContact O-CB 3.27Å; S565-W569 PolarHBondContact O-N 3.09Å
566L62.8Low59.3Low91 Ų9194 Ų9448%0.47655%0.547SS..Hα-helixtrans-68.4-40.2174.6-104.9138.2000112.1I562 E563 W569 N570I562-L566 HydrophobicContact CG2-CD1 3.82Å; I562-L566 WeakPolarHBondContact O-CB 3.48Å; I562-L566 PolarHBondContact O-N 3.12Å; E563-L566 PolarHBondContact O-N 2.91Å; L566-W569 PolarHBondContact O-N 3.17Å; L566-N570 WeakPolarHBondContact O-CB 3.26Å; L566-N570 PolarHBondContact O-N 3.46Å; L566-N570 PolarHBondContact O-ND2 3.04Å
567K69.1Low58.4Low128 Ų12893.7 Ų93.756%0.55756%0.56SS**Hα-helixtrans-62.9-46.7171.7-78.1177.1-174.4162.50110.8E563 W569 N570 T571E563-K567 WeakPolarHBondContact O-CB 3.46Å; E563-K567 WeakPolarHBondContact O-CG 3.47Å; E563-K567 PolarHBondContact O-N 2.99Å; E563-K567 VanDerWaalsContact OE1-CE 3.28Å; E563-K567 WeakPolarHBondContact OE1-CE 3.26Å; E563-K567 IonicContact OE1-NZ 2.69Å; E563-K567 PolarHBondContact OE1-NZ 3.36Å; K567-W569 VanDerWaalsContact C-N 3.32Å; K567-W569 PolarHBondContact O-N 3.22Å; K567-N570 PolarHBondContact O-N 3.31Å; K567-T571 PolarHBondContact O-N 3.26Å; K567-T571 PolarHBondContact O-OG1 3.04Å
568A70Confident57.3Low56 Ų5698.3 Ų98.346%0.46358%0.583SS.*Hα-helixtrans-59.1-41.4176.300000112.3S564 S565 T571 S572S564-A568 VanDerWaalsContact O-CB 3.3Å; S564-A568 WeakPolarHBondContact O-CB 3.05Å; S564-A568 PolarHBondContact O-N 3.04Å; S565-A568 PolarHBondContact O-N 3.34Å; A568-T571 VanDerWaalsContact CA-OG1 3.27Å; A568-T571 WeakPolarHBondContact CA-OG1 3.37Å; A568-T571 PolarHBondContact O-N 3.35Å; A568-T571 PolarHBondContact O-OG1 2.65Å; A568-S572 WeakPolarHBondContact O-CB 3.28Å; A568-S572 PolarHBondContact O-N 3.43Å
569W59Low56.5Low161 Ų161104.2 Ų104.261%0.6160%0.602SS**Hα-helixtrans-67.4-43.2177.1-166.567.9000112.3S565 L566 K567 T571 S572 N573S565-W569 WeakPolarHBondContact O-CB 3.27Å; S565-W569 PolarHBondContact O-N 3.09Å; L566-W569 PolarHBondContact O-N 3.17Å; K567-W569 VanDerWaalsContact C-N 3.32Å; K567-W569 PolarHBondContact O-N 3.22Å; W569-T571 PolarHBondContact O-N 3.36Å; W569-S572 PolarHBondContact O-N 3.15Å; W569-N573 WeakPolarHBondContact O-CB 3.46Å; W569-N573 PolarHBondContact O-N 3.44Å
570N61.6Low55.5Low86 Ų86108.3 Ų108.346%0.4662%0.615SS.*Hα-helixtrans-66.8-33.7175.9-73.9-24.2000112.7L566 K567 S572 T574L566-N570 WeakPolarHBondContact O-CB 3.26Å; L566-N570 PolarHBondContact O-N 3.46Å; L566-N570 PolarHBondContact O-ND2 3.04Å; K567-N570 PolarHBondContact O-N 3.31Å; N570-S572 VanDerWaalsContact C-N 3.31Å; N570-T574 WeakPolarHBondContact O-CG2 3.36Å; N570-T574 PolarHBondContact O-N 3.36Å; N570-T574 PolarHBondContact O-OG1 3.01Å
571T56.7Low54.2Low106 Ų106112 Ų11265%0.6563%0.634SS**Hα-helixtrans-71.5-22.3169.936.20000113.7K567 A568 W569 T574K567-T571 PolarHBondContact O-N 3.26Å; K567-T571 PolarHBondContact O-OG1 3.04Å; A568-T571 VanDerWaalsContact CA-OG1 3.27Å; A568-T571 WeakPolarHBondContact CA-OG1 3.37Å; A568-T571 PolarHBondContact O-N 3.35Å; A568-T571 PolarHBondContact O-OG1 2.65Å; W569-T571 PolarHBondContact O-N 3.36Å; T571-T574 WeakPolarHBondContact CA-OG1 3.48Å; T571-T574 PolarHBondContact O-OG1 3.16Å
572S55Low52.4Low95 Ų95111.8 Ų111.866%0.66464%0.641SS**Hα-helixtrans-89.8-15.4177.4-154.40000113.2A568 W569 N570A568-S572 WeakPolarHBondContact O-CB 3.28Å; A568-S572 PolarHBondContact O-N 3.43Å; W569-S572 PolarHBondContact O-N 3.15Å; N570-S572 VanDerWaalsContact C-N 3.31Å
573N49.3Very low50.9Low105 Ų105111.7 Ų111.756%0.56165%0.65SS**SBendtrans-1078.7179.5-128.811.4000113.5W569 N575W569-N573 WeakPolarHBondContact O-CB 3.46Å; W569-N573 PolarHBondContact O-N 3.44Å; N573-N575 PolarHBondContact O-N 3.48Å
574T43.7Very low49.3Very low100 Ų100116.3 Ų116.361%0.61367%0.668SS**  trans-100.457.1174.334.90000110.6N570 T571N570-T574 WeakPolarHBondContact O-CG2 3.36Å; N570-T574 PolarHBondContact O-N 3.36Å; N570-T574 PolarHBondContact O-OG1 3.01Å; T571-T574 WeakPolarHBondContact CA-OG1 3.48Å; T571-T574 PolarHBondContact O-OG1 3.16Å
575N42Very low47.7Very low164 Ų164118.9 Ų118.988%0.87768%0.683SS**  trans-125.151163.5-98.1-17.4000109.2N573N573-N575 PolarHBondContact O-N 3.48Å
576S42.4Very low45.8Very low105 Ų105122.4 Ų122.473%0.73470%0.695SS**SBendtrans-159.8112159.149.80000107.3
577G35.3Very low44.5Very low73 Ų73123.8 Ų123.875%0.75371%0.707SS**  trans-64149.9-169.400000113.3
578T36.5Very low43.2Very low146 Ų146123 Ų12390%0.89672%0.715SS**  -166.1128.5106-55.10000107.9
579E38.7Very low41.5Very low173 Ų173128.8 Ų128.881%0.80873%0.726SS**  trans-55.8156.8175.7-59172.9143.400111.1
580I36.3Very low40.2Very low140 Ų140126.3 Ų126.372%0.71873%0.729SS**  -172.7121.670.9-77.6177.4000108.1
581L37.6Very low39Very low160 Ų160128.6 Ų128.684%0.83874%0.741SS**  35.7140.4128.3-59.2158.5000118.5
582S33.2Very low38Very low104 Ų104130.3 Ų130.373%0.72775%0.747SS**  cis-169.6147.729175.50000110.3
583S32.7Very low37.3Very low103 Ų103133.5 Ų133.572%0.7276%0.756SS**  trans-57.6140.7171.349.70000116.9
584K34.2Very low36.8Very low195 Ų195134 Ų13485%0.84876%0.763SS**  -171.4137.9124.5-104.4172.2-177.2177.70110.5
585P35.4Very low36.6Very low128 Ų128138.5 Ų138.583%0.83178%0.777SS**PPolyproline II helixtrans-80.4134.8-174.831.9-31.4000111.9
586L31.2Very low36.4Very low152 Ų152136.3 Ų136.380%0.79677%0.77SS**PPolyproline II helixtrans-71.5129.9175.6-88.4125.7000111.9Y589L586-Y589 HydrophobicContact CD2-CE2 4.39Å
587V33.9Very low36.3Very low119 Ų119138.8 Ų138.872%0.72178%0.775SS**PPolyproline II helixtrans-69.9136.3153.4179.40000107.8Y589V587-Y589 PolarHBondContact O-N 3.32Å
588P42.1Very low36.5Very low113 Ų113143.1 Ų143.173%0.73478%0.775SS**  trans-77.8112167.7-2.320.2000108.8
589Y34Very low36.4Very low177 Ų177141.8 Ų141.869%0.69477%0.77SS**  51.9100.496.4-95.8-92.9000112.3L586 V587L586-Y589 HydrophobicContact CD2-CE2 4.39Å; V587-Y589 PolarHBondContact O-N 3.32Å
590T33Very low36.2Very low108 Ų108138.9 Ų138.966%0.66377%0.77SS**  48.6131.276.771.40000114.9
591D36.8Very low36Very low134 Ų134137.8 Ų137.872%0.71777%0.774SS**  trans163.695.5132.9-77.5-2.8000106
592D35.2Very low36.3Very low143 Ų143136.3 Ų136.377%0.76577%0.772SS**  56.510473.9-139.613.6000111.4
593N40Very low36.7Very low161 Ų161136.7 Ų136.786%0.86177%0.772SS**  trans-150.1102.1156.6-93.2-34.5000108.7
594T38.3Very low37.5Very low116 Ų116137.5 Ų137.571%0.71278%0.775SS**  trans-26.2133.1157.3500000115.6
595E40.6Very low38Very low195 Ų195134 Ų13491%0.91177%0.772SS**  -154.8130126.7-109.8173-161.100110.2
596T38.2Very low37.8Very low117 Ų117134.2 Ų134.272%0.71877%0.773SS**  trans-67.6137.2-177.441.40000112.6
597D38.7Very low38Very low158 Ų158130.4 Ų130.485%0.84577%0.771SS**  -166.1151.6123.7-106.2-25.6000114.5
598H40.5Very low38Very low163 Ų163137 Ų13776%0.75580%0.801SS**  trans-80.8161.2-158.5-79.1-90.2000116.5
599C34.1Very low37.8Very low118 Ų118138.2 Ų138.280%0.79780%0.804SS**  trans74.2102149.6-73.60000118.8
600S34.8Very low38Very low113 Ų113136.1 Ų136.179%0.7981%0.81SS**  170.2131.483.559.50000110.4
601S32.3Very low38.3Very low116 Ų116137.7 Ų137.781%0.81182%0.818SS**  trans-76.1124.6172.148.70000110.8
602T42.9Very low38.3Very low129 Ų129137.9 Ų137.979%0.79182%0.824SS**  trans-136.3125.8153.8250000109.2
603P41.8Very low38.5Very low113 Ų113137.6 Ų137.673%0.73483%0.828SS**PPolyproline II helixtrans-78.9158.3177.434.5-32.3000110.1
604P50.3Low38.4Very low119 Ų119136 Ų13677%0.77383%0.825SS**PPolyproline II helixtrans-73.8142.8175.232-31.9000109.9
605P43.8Very low38.5Very low121 Ų121137.4 Ų137.479%0.78683%0.833SS**PPolyproline II helixtrans-78.3148.5169.731.1-30.1000110.9
606P31.9Very low38.3Very low133 Ų133133 Ų13386%0.86483%0.827SS**PPolyproline II helixtrans-89.2145.7-178.734.9-31.6000112
607G35Very low38.3Very low73 Ų73134.3 Ų134.375%0.75384%0.837SS**  trans135.7108.8159.600000114.7
608L33.4Very low38.3Very low256 Ų256132.2 Ų132.2100%1.3484%0.836SS**  trans70.40163.6-73.6157.3000118

Retrieved 608 of 608 residues in 171.1 ms (Link to these results)

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