A0A5K4F934_SCHMA Loading...

DNA topoisomerase (ATP-hydrolyzing)

AlphaFold DB , UniProt , Accession A0A5K4F934, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 331 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
1M49.8Very low58.8Low204 Ų20479.5 Ų79.5100%1.00540%0.398SS*.  0-510-163.2179.7-81.100112G4 I5M1-G4 PolarHBondContact O-N 3.41Å; M1-I5 PolarHBondContact O-N 3.45Å
2I52.4Low59Low87 Ų8780.4 Ų80.445%0.44640%0.398SS..Hα-helixtrans-64-44.4177.5-64172.9000112G4 I5 V6 F37I2-G4 VanDerWaalsContact C-N 3.31Å; I2-G4 PolarHBondContact O-N 3.47Å; I2-I5 PolarHBondContact O-N 3.37Å; I2-I5 VanDerWaalsContact O-N 3.09Å; I2-V6 HydrophobicContact CG2-CG2 4.15Å; I2-V6 WeakPolarHBondContact O-CG2 3.34Å; I2-V6 PolarHBondContact O-N 2.74Å; I2-F37 HydrophobicContact CG2-CE1 3.95Å; I2-F37 HydrophobicContact CG2-CZ 3.76Å
3E53.3Low59Low127 Ų12776.1 Ų76.159%0.59338%0.377SS*.Hα-helixtrans-53.3-46176.6-74.1170.8169.300112.5I5 V6 Y7 L27E3-I5 PolarHBondContact O-N 3.16Å; E3-V6 PolarHBondContact O-N 3.13Å; E3-Y7 VanDerWaalsContact O-CB 3.26Å; E3-Y7 WeakPolarHBondContact O-CB 3.33Å; E3-Y7 PolarHBondContact O-N 3.42Å; E3-L27 HydrophobicContact CG-CD2 3.95Å
4G56.7Low59.2Low40 Ų4074.6 Ų74.641%0.41237%0.367SS..Hα-helixtrans-63.3-36.9177.500000113.6M1 I2 E8M1-G4 PolarHBondContact O-N 3.41Å; I2-G4 VanDerWaalsContact C-N 3.31Å; I2-G4 PolarHBondContact O-N 3.47Å; G4-E8 WeakPolarHBondContact O-CB 3.48Å; G4-E8 VanDerWaalsContact O-CG 3.32Å; G4-E8 WeakPolarHBondContact O-CG 3.5Å; G4-E8 PolarHBondContact O-N 3.05Å
5I57.8Low59Low94 Ų9477.6 Ų77.648%0.48240%0.399SS..Hα-helixtrans-69.8-43.1176.8-63.9171.3000110.5M1 I2 E3 Y7 V9 M41M1-I5 PolarHBondContact O-N 3.45Å; I2-I5 PolarHBondContact O-N 3.37Å; I2-I5 VanDerWaalsContact O-N 3.09Å; E3-I5 PolarHBondContact O-N 3.16Å; I5-Y7 VanDerWaalsContact C-N 3.33Å; I5-V9 HydrophobicContact CG2-CG2 4.36Å; I5-V9 WeakPolarHBondContact O-CB 3.04Å; I5-V9 WeakPolarHBondContact O-CG2 3.1Å; I5-V9 PolarHBondContact O-N 3.29Å; I5-M41 HydrophobicContact CG2-CE 4.08Å
6V61.4Low58.4Low11 Ų1175.9 Ų75.97%0.06741%0.406CS..Hα-helixtrans-59.5-49.3175.5177.40000109.4I2 E3 V9 M10 F26 F37 M41I2-V6 HydrophobicContact CG2-CG2 4.15Å; I2-V6 WeakPolarHBondContact O-CG2 3.34Å; I2-V6 PolarHBondContact O-N 2.74Å; E3-V6 PolarHBondContact O-N 3.13Å; V6-V9 PolarHBondContact O-N 3.22Å; V6-M10 HydrophobicContact CG1-CE 3.47Å; V6-M10 VanDerWaalsContact CG1-CE 3.47Å; V6-M10 HydrophobicContact CG1-CG 4.33Å; V6-M10 HydrophobicContact CG1-SD 4.02Å; V6-M10 WeakPolarHBondContact O-CB 3.08Å; V6-M10 WeakPolarHBondContact O-CG 3.49Å; V6-M10 PolarHBondContact O-N 2.77Å; V6-F26 HydrophobicContact CG1-CB 4.42Å; V6-F26 HydrophobicContact CG1-CD1 4.39Å; V6-F26 HydrophobicContact CG1-CG 4.38Å; V6-F37 HydrophobicContact CG2-CZ 4.12Å; V6-M41 HydrophobicContact CB-CE 4.42Å; V6-M41 HydrophobicContact CG2-CE 3.52Å; V6-M41 HydrophobicContact CG2-SD 3.61Å
7Y63Low58Low91 Ų9179.5 Ų79.536%0.35743%0.425SS..Hα-helixtrans-59-50.7179.7-173.6-99.1000112.2E3 I5 V9 M10 K11 I18 E23E3-Y7 VanDerWaalsContact O-CB 3.26Å; E3-Y7 WeakPolarHBondContact O-CB 3.33Å; E3-Y7 PolarHBondContact O-N 3.42Å; I5-Y7 VanDerWaalsContact C-N 3.33Å; Y7-V9 PolarHBondContact O-N 3.46Å; Y7-M10 PolarHBondContact O-N 2.94Å; Y7-K11 HydrophobicContact CD1-CD 4.44Å; Y7-K11 HydrophobicContact CE1-CD 3.76Å; Y7-K11 WeakPolarHBondContact O-CB 3.48Å; Y7-K11 PolarHBondContact O-N 3.24Å; Y7-I18 HydrophobicContact CD2-CD1 3.69Å; Y7-I18 HydrophobicContact CE2-CD1 3.77Å; Y7-I18 HydrophobicContact CG-CD1 4.28Å; Y7-I18 WeakPolarHBondContact O-CD1 3.38Å; Y7-E23 WeakPolarHBondContact CD2-OE1 3.37Å; Y7-E23 WeakPolarHBondContact CE2-OE1 3.46Å
8E62.2Low57.8Low111 Ų11176.6 Ų76.652%0.51941%0.409SS..Hα-helixtrans-62.9-43.4179.8-76.3-59.1145.600111.9G4 M10 K11 F12G4-E8 WeakPolarHBondContact O-CB 3.48Å; G4-E8 VanDerWaalsContact O-CG 3.32Å; G4-E8 WeakPolarHBondContact O-CG 3.5Å; G4-E8 PolarHBondContact O-N 3.05Å; E8-M10 PolarHBondContact O-N 3.2Å; E8-K11 PolarHBondContact O-N 3.22Å; E8-F12 VanDerWaalsContact O-CB 3.23Å; E8-F12 WeakPolarHBondContact O-CB 3.48Å; E8-F12 PolarHBondContact O-N 3.28Å
9V61.9Low57.9Low13 Ų1378.2 Ų78.28%0.07942%0.418CS..Hα-helixtrans-64.8-42177.6174.10000111.2I5 V6 Y7 L13 L44 H48I5-V9 HydrophobicContact CG2-CG2 4.36Å; I5-V9 WeakPolarHBondContact O-CB 3.04Å; I5-V9 WeakPolarHBondContact O-CG2 3.1Å; I5-V9 PolarHBondContact O-N 3.29Å; V6-V9 PolarHBondContact O-N 3.22Å; Y7-V9 PolarHBondContact O-N 3.46Å; V9-L13 HydrophobicContact CG1-CD1 3.96Å; V9-L13 WeakPolarHBondContact O-CB 3.22Å; V9-L13 VanDerWaalsContact O-CG 3.28Å; V9-L13 WeakPolarHBondContact O-CG 3.29Å; V9-L13 PolarHBondContact O-N 3.4Å; V9-L13 VanDerWaalsContact O-N 3.08Å; V9-L44 HydrophobicContact CG1-CB 3.94Å; V9-L44 HydrophobicContact CG1-CD2 4.26Å; V9-H48 HydrophobicContact CG1-CB 4.12Å; V9-H48 HydrophobicContact CG2-CB 4.44Å
10M63.1Low57.9Low2 Ų282.6 Ų82.61%0.0144%0.436CS..Hα-helixtrans-65.2-41.6176.1-75.1-172.1-179.200112.4V6 Y7 E8 F12 L13 K14 I18 F26 L87V6-M10 HydrophobicContact CG1-CE 3.47Å; V6-M10 VanDerWaalsContact CG1-CE 3.47Å; V6-M10 HydrophobicContact CG1-CG 4.33Å; V6-M10 HydrophobicContact CG1-SD 4.02Å; V6-M10 WeakPolarHBondContact O-CB 3.08Å; V6-M10 WeakPolarHBondContact O-CG 3.49Å; V6-M10 PolarHBondContact O-N 2.77Å; Y7-M10 PolarHBondContact O-N 2.94Å; E8-M10 PolarHBondContact O-N 3.2Å; M10-F12 VanDerWaalsContact C-N 3.34Å; M10-L13 PolarHBondContact O-N 2.72Å; M10-K14 WeakPolarHBondContact O-CB 3.4Å; M10-K14 PolarHBondContact O-N 3.16Å; M10-K14 VanDerWaalsContact O-N 3.17Å; M10-I18 HydrophobicContact CB-CD1 3.36Å; M10-I18 HydrophobicContact CB-CG1 3.91Å; M10-I18 HydrophobicContact SD-CD1 4.44Å; M10-I18 HydrophobicContact SD-CG2 4.12Å; M10-F26 HydrophobicContact CE-CB 4.48Å; M10-F26 HydrophobicContact CE-CD1 3.95Å; M10-F26 HydrophobicContact CE-CD2 3.15Å; M10-F26 HydrophobicContact CE-CE1 3.85Å; M10-F26 HydrophobicContact CE-CE2 3.02Å; M10-F26 HydrophobicContact CE-CG 3.6Å; M10-F26 HydrophobicContact CE-CZ 3.37Å; M10-L87 HydrophobicContact CB-CD2 4.34Å; M10-L87 HydrophobicContact CG-CD2 3.92Å
11K65.4Low57.9Low94 Ų9482.1 Ų82.141%0.40944%0.444SS..Hα-helixtrans-68.2-41.4-176.6-175.3176.9176.7-177.70109.9Y7 E8 K14 S15 I18Y7-K11 HydrophobicContact CD1-CD 4.44Å; Y7-K11 HydrophobicContact CE1-CD 3.76Å; Y7-K11 WeakPolarHBondContact O-CB 3.48Å; Y7-K11 PolarHBondContact O-N 3.24Å; E8-K11 PolarHBondContact O-N 3.22Å; K11-K14 PolarHBondContact O-N 3.05Å; K11-S15 PolarHBondContact O-N 2.86Å; K11-I18 HydrophobicContact CB-CD1 3.93Å
12F61.8Low58.5Low91 Ų9174.3 Ų74.340%0.39940%0.404SS..Hα-helixtrans-61-46.8174.1-176.2-95.4000112E8 M10 K14 H48 V51 R52E8-F12 VanDerWaalsContact O-CB 3.23Å; E8-F12 WeakPolarHBondContact O-CB 3.48Å; E8-F12 PolarHBondContact O-N 3.28Å; M10-F12 VanDerWaalsContact C-N 3.34Å; F12-K14 VanDerWaalsContact C-N 3.27Å; F12-K14 PolarHBondContact O-N 3.41Å; F12-H48 AromaticContact CD1-CD2 3.15Å; F12-H48 WeakPolarHBondContact CD1-CD2 3.1Å; F12-H48 AromaticContact CD1-NE2 3.53Å; F12-H48 AromaticContact CD2-NE2 3.82Å; F12-H48 AromaticContact CE1-CD2 3.73Å; F12-H48 AromaticContact CE1-NE2 3.93Å; F12-H48 AromaticContact CG-CD2 3.46Å; F12-H48 VanDerWaalsContact CG-CD2 3.46Å; F12-H48 WeakPolarHBondContact CG-CD2 3.43Å; F12-H48 AromaticContact CG-NE2 3.44Å; F12-H48 WeakPolarHBondContact CG-NE2 3.33Å; F12-V51 HydrophobicContact CE1-CB 4.1Å; F12-V51 HydrophobicContact CE1-CG1 3.7Å; F12-V51 HydrophobicContact CZ-CG1 4.34Å; F12-R52 HydrophobicContact CE1-CB 4.32Å; F12-R52 HydrophobicContact CZ-CB 3.89Å; F12-R52 HydrophobicContact CZ-CG 4.32Å
13L58.2Low58.8Low24 Ų2473.5 Ų73.513%0.12640%0.399CS..Hα-helixtrans-71-19.9-177.3-71.1173.8000114.1V9 M10 L44 V51 L87 L94V9-L13 HydrophobicContact CG1-CD1 3.96Å; V9-L13 WeakPolarHBondContact O-CB 3.22Å; V9-L13 VanDerWaalsContact O-CG 3.28Å; V9-L13 WeakPolarHBondContact O-CG 3.29Å; V9-L13 PolarHBondContact O-N 3.4Å; V9-L13 VanDerWaalsContact O-N 3.08Å; M10-L13 PolarHBondContact O-N 2.72Å; L13-L44 HydrophobicContact CD1-CD2 3.87Å; L13-V51 HydrophobicContact CD2-CG2 4.07Å; L13-L87 HydrophobicContact CB-CD1 4.1Å; L13-L87 HydrophobicContact CD1-CD1 3.5Å; L13-L87 VanDerWaalsContact CD1-CD1 3.5Å; L13-L87 HydrophobicContact CG-CD1 4.45Å; L13-L94 HydrophobicContact CD1-CD2 4.49Å
14K62.4Low59.3Low55 Ų5571.1 Ų71.124%0.23940%0.396CS..THydrogen-bonded Turntrans-113.25.2-170.8-141.4179.4170.2-1350114.5M10 K11 F12 G16 N17 L87M10-K14 WeakPolarHBondContact O-CB 3.4Å; M10-K14 PolarHBondContact O-N 3.16Å; M10-K14 VanDerWaalsContact O-N 3.17Å; K11-K14 PolarHBondContact O-N 3.05Å; F12-K14 VanDerWaalsContact C-N 3.27Å; F12-K14 PolarHBondContact O-N 3.41Å; K14-G16 PolarHBondContact O-N 2.96Å; K14-G16 VanDerWaalsContact O-N 3.1Å; K14-N17 PolarHBondContact NZ-O 3.14Å; K14-L87 VanDerWaalsContact CE-O 3.25Å; K14-L87 WeakPolarHBondContact CE-O 3.46Å
15S55.6Low60Low120 Ų12072.8 Ų72.884%0.83939%0.393SS*.THydrogen-bonded Turntrans4445.5179.2630000114.2K11K11-S15 PolarHBondContact O-N 2.86Å
16G48.8Very low60.5Low50 Ų5068.6 Ų68.652%0.51537%0.371SS..SBendtrans91.581.4171.200000116.7K14K14-G16 PolarHBondContact O-N 2.96Å; K14-G16 VanDerWaalsContact O-N 3.1Å
17N53.2Low60.8Low137 Ų13771.5 Ų71.573%0.73339%0.386SS*.  trans156.6104140-95.3-15000108.5K14K14-N17 PolarHBondContact NZ-O 3.14Å
18I54.1Low61.4Low27 Ų2771.3 Ų71.314%0.13839%0.388CS..  trans-91.3129.5169.5-55164.7000106.7Y7 M10 K11 K22 E23Y7-I18 HydrophobicContact CD2-CD1 3.69Å; Y7-I18 HydrophobicContact CE2-CD1 3.77Å; Y7-I18 HydrophobicContact CG-CD1 4.28Å; Y7-I18 WeakPolarHBondContact O-CD1 3.38Å; M10-I18 HydrophobicContact CB-CD1 3.36Å; M10-I18 HydrophobicContact CB-CG1 3.91Å; M10-I18 HydrophobicContact SD-CD1 4.44Å; M10-I18 HydrophobicContact SD-CG2 4.12Å; K11-I18 HydrophobicContact CB-CD1 3.93Å; I18-K22 HydrophobicContact CG2-CB 4.28Å; I18-E23 HydrophobicContact CG2-CG 4.24Å
19D59.9Low62.1Low108 Ų10866.6 Ų66.658%0.57837%0.367SS*.  trans-74.3131.9171.1-119-33.1000108.5A21 K22D19-A21 PolarHBondContact O-N 2.92Å; D19-K22 HydrophobicContact CB-CD 4.49Å; D19-K22 HydrophobicContact CB-CG 4.22Å; D19-K22 WeakPolarHBondContact O-CB 3.29Å; D19-K22 PolarHBondContact O-N 3.34Å
20E57Low62.9Low165 Ų16568.8 Ų68.877%0.77138%0.378SS*.Hα-helixtrans-51.8-31.2176.7-70.6-179.4167.500112.2K22 E23 S24E20-K22 PolarHBondContact O-N 3.31Å; E20-E23 PolarHBondContact O-N 3.32Å; E20-S24 PolarHBondContact O-N 2.69Å
21A58.7Low63.6Low73 Ų7374.5 Ų74.560%0.60341%0.412SS*.Hα-helixtrans-59.2-31.2175.500000113.6D19D19-A21 PolarHBondContact O-N 2.92Å
22K61Low64.6Low41 Ų4176.9 Ų76.918%0.17842%0.423CS..Hα-helixtrans-74.5-36179.4-64.8-175.1178.4-162.80111.3I18 D19 E20 H25 F26 E86 S88I18-K22 HydrophobicContact CG2-CB 4.28Å; D19-K22 HydrophobicContact CB-CD 4.49Å; D19-K22 HydrophobicContact CB-CG 4.22Å; D19-K22 WeakPolarHBondContact O-CB 3.29Å; D19-K22 PolarHBondContact O-N 3.34Å; E20-K22 PolarHBondContact O-N 3.31Å; K22-H25 PolarHBondContact O-N 2.52Å; K22-F26 WeakPolarHBondContact O-CD2 2.93Å; K22-F26 PolarHBondContact O-N 3.21Å; K22-E86 VanDerWaalsContact CD-O 3.24Å; K22-E86 WeakPolarHBondContact CD-O 3.41Å; K22-E86 WeakPolarHBondContact CE-O 3.4Å; K22-E86 PolarHBondContact NZ-O 2.76Å; K22-S88 PolarHBondContact NZ-OG 2.74Å; K22-S88 VanDerWaalsContact NZ-OG 3.08Å
23E59.8Low65.8Low69 Ų6977.9 Ų77.932%0.32243%0.427SS..Hα-helixtrans-62.6-44176-68.9178-169.400111.5Y7 I18 E20 H25 F26 L27Y7-E23 WeakPolarHBondContact CD2-OE1 3.37Å; Y7-E23 WeakPolarHBondContact CE2-OE1 3.46Å; I18-E23 HydrophobicContact CG2-CG 4.24Å; E20-E23 PolarHBondContact O-N 3.32Å; E23-H25 VanDerWaalsContact C-N 3.28Å; E23-H25 PolarHBondContact O-N 3.34Å; E23-F26 PolarHBondContact O-N 3.38Å; E23-L27 PolarHBondContact O-N 2.93Å; E23-L27 VanDerWaalsContact O-N 3.14Å
24S62.7Low67.2Low78 Ų7880.4 Ų80.455%0.54545%0.445SS..Hα-helixtrans-57-39.2177.8-173.40000112.7E20 F26 L27 E28E20-S24 PolarHBondContact O-N 2.69Å; S24-F26 PolarHBondContact O-N 3.29Å; S24-L27 PolarHBondContact O-N 3.12Å; S24-E28 PolarHBondContact O-N 3.01Å
25H72.8Confident68.4Low75 Ų7581.6 Ų81.635%0.34745%0.451SS..Hα-helixtrans-66.8-38.6179.2-170.359.6000113.4K22 E23 E28 L29 E86K22-H25 PolarHBondContact O-N 2.52Å; E23-H25 VanDerWaalsContact C-N 3.28Å; E23-H25 PolarHBondContact O-N 3.34Å; H25-E28 IonicContact ND1-OE2 2.6Å; H25-E28 PolarHBondContact O-N 2.64Å; H25-L29 PolarHBondContact O-N 3.21Å; H25-E86 IonicContact CD2-OE1 3.84Å; H25-E86 PolarHBondContact CD2-OE1 3.37Å; H25-E86 IonicContact NE2-OE1 3.1Å; H25-E86 PolarHBondContact NE2-OE1 3.3Å
26F68.1Low70.1Confident5 Ų578 Ų782%0.02242%0.421CS..Hα-helixtrans-69.8-37.1177.7-84.7-99.4000111.8V6 M10 K22 E23 S24 L29 L30 F37 L44 E86V6-F26 HydrophobicContact CG1-CB 4.42Å; V6-F26 HydrophobicContact CG1-CD1 4.39Å; V6-F26 HydrophobicContact CG1-CG 4.38Å; M10-F26 HydrophobicContact CE-CB 4.48Å; M10-F26 HydrophobicContact CE-CD1 3.95Å; M10-F26 HydrophobicContact CE-CD2 3.15Å; M10-F26 HydrophobicContact CE-CE1 3.85Å; M10-F26 HydrophobicContact CE-CE2 3.02Å; M10-F26 HydrophobicContact CE-CG 3.6Å; M10-F26 HydrophobicContact CE-CZ 3.37Å; K22-F26 WeakPolarHBondContact O-CD2 2.93Å; K22-F26 PolarHBondContact O-N 3.21Å; E23-F26 PolarHBondContact O-N 3.38Å; S24-F26 PolarHBondContact O-N 3.29Å; F26-L29 PolarHBondContact O-N 2.96Å; F26-L30 PolarHBondContact O-N 2.96Å; F26-F37 HydrophobicContact CB-CE2 4.27Å; F26-F37 HydrophobicContact CD1-CE2 4.2Å; F26-F37 WeakPolarHBondContact O-CD2 3.44Å; F26-F37 WeakPolarHBondContact O-CE2 3.46Å; F26-L44 HydrophobicContact CE1-CD1 3.98Å; F26-L44 HydrophobicContact CZ-CD1 4.44Å; F26-E86 HydrophobicContact CE2-CB 4.11Å; F26-E86 HydrophobicContact CE2-CG 4.19Å; F26-E86 VanDerWaalsContact CE2-OE2 3.24Å; F26-E86 WeakPolarHBondContact CE2-OE2 2.85Å; F26-E86 HydrophobicContact CZ-CB 4.4Å; F26-E86 WeakPolarHBondContact CZ-OE2 3.12Å
27L67.8Low72Confident72 Ų7276.1 Ų76.138%0.37740%0.399SS..Hα-helixtrans-63.8-42.5173.2-70.6173.8000111.7E3 E23 S24 L29 L30 V31E3-L27 HydrophobicContact CG-CD2 3.95Å; E23-L27 PolarHBondContact O-N 2.93Å; E23-L27 VanDerWaalsContact O-N 3.14Å; S24-L27 PolarHBondContact O-N 3.12Å; L27-L29 VanDerWaalsContact C-N 3.28Å; L27-L29 PolarHBondContact O-N 3.35Å; L27-L30 WeakPolarHBondContact O-CB 3.45Å; L27-L30 PolarHBondContact O-N 3.43Å; L27-V31 PolarHBondContact O-N 3.18Å
28E74.9Confident73.7Confident87 Ų8772.6 Ų72.641%0.40738%0.382SS..Hα-helixtrans-60.2-40.5174.4-171.3-174-177.200111.6S24 H25 V31 K32S24-E28 PolarHBondContact O-N 3.01Å; H25-E28 IonicContact ND1-OE2 2.6Å; H25-E28 PolarHBondContact O-N 2.64Å; E28-V31 PolarHBondContact O-N 3.19Å; E28-K32 HydrophobicContact CG-CD 3.88Å; E28-K32 HydrophobicContact CG-CG 4.38Å; E28-K32 WeakPolarHBondContact O-CB 3.46Å; E28-K32 WeakPolarHBondContact O-CG 3.2Å; E28-K32 PolarHBondContact O-N 3.3Å; E28-K32 WeakPolarHBondContact OE1-CE 3.45Å; E28-K32 IonicContact OE1-NZ 3.89Å; E28-K32 PolarHBondContact OE1-NZ 2.89Å
29L77.4Confident75.6Confident13 Ų1372.3 Ų72.37%0.06838%0.379CS..Hα-helixtrans-67.9-37.4178.4-166.172.1000112.7H25 F26 L27 V31 K33 E36 F37 L40 K82H25-L29 PolarHBondContact O-N 3.21Å; F26-L29 PolarHBondContact O-N 2.96Å; L27-L29 VanDerWaalsContact C-N 3.28Å; L27-L29 PolarHBondContact O-N 3.35Å; L29-V31 VanDerWaalsContact C-N 3.28Å; L29-V31 PolarHBondContact O-N 3.05Å; L29-K33 HydrophobicContact CD1-CB 3.98Å; L29-K33 HydrophobicContact CD1-CD 4.12Å; L29-K33 HydrophobicContact CD1-CG 4.44Å; L29-K33 CarbonylContact O-C 3.15Å; L29-K33 WeakPolarHBondContact O-CA 3.27Å; L29-K33 PolarHBondContact O-N 3.35Å; L29-E36 HydrophobicContact CD2-CG 4.49Å; L29-F37 HydrophobicContact CB-CD2 4.41Å; L29-F37 HydrophobicContact CD2-CB 4.31Å; L29-F37 HydrophobicContact CG-CB 4.24Å; L29-L40 HydrophobicContact CD2-CD1 3.17Å; L29-K82 VanDerWaalsContact CD1-NZ 3.28Å; L29-K82 VanDerWaalsContact CD2-NZ 3.27Å
30L77.4Confident77Confident59 Ų5967.1 Ų67.131%0.30935%0.352SS..Hα-helixtrans-57.1-43.5174.4173.863.2000111.1F26 L27 F37F26-L30 PolarHBondContact O-N 2.96Å; L27-L30 WeakPolarHBondContact O-CB 3.45Å; L27-L30 PolarHBondContact O-N 3.43Å; L30-F37 HydrophobicContact CB-CD1 4.19Å; L30-F37 HydrophobicContact CB-CD2 3.84Å; L30-F37 HydrophobicContact CB-CE1 4.35Å; L30-F37 HydrophobicContact CB-CE2 4.02Å; L30-F37 HydrophobicContact CB-CG 3.93Å; L30-F37 HydrophobicContact CB-CZ 4.27Å; L30-F37 HydrophobicContact CD1-CD1 3.48Å; L30-F37 VanDerWaalsContact CD1-CD1 3.48Å; L30-F37 HydrophobicContact CD1-CE1 3.65Å; L30-F37 HydrophobicContact CD1-CG 4.04Å; L30-F37 HydrophobicContact CD1-CZ 4.32Å; L30-F37 HydrophobicContact CG-CD1 4.39Å; L30-F37 HydrophobicContact CG-CE1 4.41Å
31V78.3Confident78.6Confident121 Ų12160.8 Ų60.873%0.73332%0.322SS*.Hα-helixtrans-75-48.9-179.41790000111.7L27 E28 L29L27-V31 PolarHBondContact O-N 3.18Å; E28-V31 PolarHBondContact O-N 3.19Å; L29-V31 VanDerWaalsContact C-N 3.28Å; L29-V31 PolarHBondContact O-N 3.05Å
32K86.1Confident80.1Confident145 Ų14559 Ų5963%0.6330%0.304SS*.Hα-helixtrans-80.5-31.2-171.8-67.6-173.3179.7177.90113.5E28E28-K32 HydrophobicContact CG-CD 3.88Å; E28-K32 HydrophobicContact CG-CG 4.38Å; E28-K32 WeakPolarHBondContact O-CB 3.46Å; E28-K32 WeakPolarHBondContact O-CG 3.2Å; E28-K32 PolarHBondContact O-N 3.3Å; E28-K32 WeakPolarHBondContact OE1-CE 3.45Å; E28-K32 IonicContact OE1-NZ 3.89Å; E28-K32 PolarHBondContact OE1-NZ 2.89Å
33K88.1Confident81.6Confident112 Ų11257 Ų5749%0.48730%0.295SS..  trans-145.469.3-172.9-63.2-172177178.10111.5L29 E35 E36 F37L29-K33 HydrophobicContact CD1-CB 3.98Å; L29-K33 HydrophobicContact CD1-CD 4.12Å; L29-K33 HydrophobicContact CD1-CG 4.44Å; L29-K33 CarbonylContact O-C 3.15Å; L29-K33 WeakPolarHBondContact O-CA 3.27Å; L29-K33 PolarHBondContact O-N 3.35Å; K33-E35 VanDerWaalsContact C-N 3.25Å; K33-E35 PolarHBondContact O-N 3.2Å; K33-E35 VanDerWaalsContact O-N 3.16Å; K33-E36 HydrophobicContact CB-CB 3.89Å; K33-E36 HydrophobicContact CD-CB 4.4Å; K33-E36 WeakPolarHBondContact CD-OE2 3.26Å; K33-E36 IonicContact NZ-OE2 2.63Å; K33-E36 PolarHBondContact NZ-OE2 3.42Å; K33-E36 VanDerWaalsContact NZ-OE2 3.1Å; K33-E36 PolarHBondContact O-N 2.87Å; K33-F37 PolarHBondContact O-N 2.93Å
34P86.5Confident83Confident76 Ų7653.8 Ų53.849%0.49428%0.28SS..Hα-helixtrans-59-34.2-17422.6-34.3000113.3T38P34-T38 WeakPolarHBondContact O-CB 3.24Å; P34-T38 PolarHBondContact O-N 3.49Å; P34-T38 PolarHBondContact O-OG1 3.39Å
35E89.1Confident84.4Confident81 Ų8156 Ų5638%0.37928%0.28SS..Hα-helixtrans-68.3-39.3177.4-157.9-166.1-158.500111.9K33 R39 L69 K71K33-E35 VanDerWaalsContact C-N 3.25Å; K33-E35 PolarHBondContact O-N 3.2Å; K33-E35 VanDerWaalsContact O-N 3.16Å; E35-R39 VanDerWaalsContact CD-CZ 3.43Å; E35-R39 VanDerWaalsContact O-CG 3.27Å; E35-R39 WeakPolarHBondContact O-CG 3.34Å; E35-R39 PolarHBondContact O-N 2.75Å; E35-R39 VanDerWaalsContact O-N 3.11Å; E35-R39 IonicContact OE1-CZ 3.44Å; E35-R39 IonicContact OE1-NH2 2.77Å; E35-R39 PolarHBondContact OE1-NH2 3.4Å; E35-R39 IonicContact OE2-CZ 2.74Å; E35-R39 IonicContact OE2-NH1 3.43Å; E35-R39 PolarHBondContact OE2-NH1 2.74Å; E35-R39 IonicContact OE2-NH2 3.98Å; E35-R39 PolarHBondContact OE2-NH2 3.15Å; E35-L69 HydrophobicContact CG-CD1 4.37Å; E35-K71 WeakPolarHBondContact OE1-CE 3.42Å; E35-K71 IonicContact OE1-NZ 2.75Å; E35-K71 PolarHBondContact OE1-NZ 3.14Å; E35-K71 IonicContact OE2-NZ 2.97Å
36E89.7Confident85.3Confident44 Ų4453.9 Ų53.921%0.20627%0.271CS..Hα-helixtrans-68.2-44.3176-166.2-178.4138.100110.7L29 K33 T38 R39 L40 L79 K82L29-E36 HydrophobicContact CD2-CG 4.49Å; K33-E36 HydrophobicContact CB-CB 3.89Å; K33-E36 HydrophobicContact CD-CB 4.4Å; K33-E36 WeakPolarHBondContact CD-OE2 3.26Å; K33-E36 IonicContact NZ-OE2 2.63Å; K33-E36 PolarHBondContact NZ-OE2 3.42Å; K33-E36 VanDerWaalsContact NZ-OE2 3.1Å; K33-E36 PolarHBondContact O-N 2.87Å; E36-T38 PolarHBondContact O-N 2.85Å; E36-R39 PolarHBondContact O-N 3.23Å; E36-L40 WeakPolarHBondContact O-CG 3.37Å; E36-L40 PolarHBondContact O-N 3.03Å; E36-L79 HydrophobicContact CG-CD2 3.79Å; E36-K82 IonicContact OE1-NZ 3.16Å; E36-K82 PolarHBondContact OE1-NZ 3.15Å
37F88.6Confident86.3Confident10 Ų1053.6 Ų53.64%0.04427%0.27CS..Hα-helixtrans-57.6-48.3174.4179.8-92.2000111.7I2 V6 F26 L29 L30 K33 R39 L40 M41I2-F37 HydrophobicContact CG2-CE1 3.95Å; I2-F37 HydrophobicContact CG2-CZ 3.76Å; V6-F37 HydrophobicContact CG2-CZ 4.12Å; F26-F37 HydrophobicContact CB-CE2 4.27Å; F26-F37 HydrophobicContact CD1-CE2 4.2Å; F26-F37 WeakPolarHBondContact O-CD2 3.44Å; F26-F37 WeakPolarHBondContact O-CE2 3.46Å; L29-F37 HydrophobicContact CB-CD2 4.41Å; L29-F37 HydrophobicContact CD2-CB 4.31Å; L29-F37 HydrophobicContact CG-CB 4.24Å; L30-F37 HydrophobicContact CB-CD1 4.19Å; L30-F37 HydrophobicContact CB-CD2 3.84Å; L30-F37 HydrophobicContact CB-CE1 4.35Å; L30-F37 HydrophobicContact CB-CE2 4.02Å; L30-F37 HydrophobicContact CB-CG 3.93Å; L30-F37 HydrophobicContact CB-CZ 4.27Å; L30-F37 HydrophobicContact CD1-CD1 3.48Å; L30-F37 VanDerWaalsContact CD1-CD1 3.48Å; L30-F37 HydrophobicContact CD1-CE1 3.65Å; L30-F37 HydrophobicContact CD1-CG 4.04Å; L30-F37 HydrophobicContact CD1-CZ 4.32Å; L30-F37 HydrophobicContact CG-CD1 4.39Å; L30-F37 HydrophobicContact CG-CE1 4.41Å; K33-F37 PolarHBondContact O-N 2.93Å; F37-R39 VanDerWaalsContact C-N 3.31Å; F37-R39 PolarHBondContact O-N 3.01Å; F37-L40 WeakPolarHBondContact O-CB 3.46Å; F37-L40 PolarHBondContact O-N 3.48Å; F37-L40 VanDerWaalsContact O-N 3.13Å; F37-M41 HydrophobicContact CD1-CG 4Å; F37-M41 HydrophobicContact CE1-CG 3.53Å; F37-M41 HydrophobicContact CE1-SD 4.38Å; F37-M41 HydrophobicContact CE2-CG 4.31Å; F37-M41 HydrophobicContact CE2-SD 4.34Å; F37-M41 HydrophobicContact CZ-CG 3.71Å; F37-M41 HydrophobicContact CZ-SD 3.95Å; F37-M41 WeakPolarHBondContact O-CG 3.22Å; F37-M41 PolarHBondContact O-N 3.48Å
38T89.6Confident87.2Confident63 Ų6352 Ų5239%0.38726%0.26SS..Hα-helixtrans-59.2-43.1178.8-56.80000111.3P34 E36 L40 M41 V42 L69P34-T38 WeakPolarHBondContact O-CB 3.24Å; P34-T38 PolarHBondContact O-N 3.49Å; P34-T38 PolarHBondContact O-OG1 3.39Å; E36-T38 PolarHBondContact O-N 2.85Å; T38-L40 PolarHBondContact O-N 2.86Å; T38-M41 PolarHBondContact O-N 2.98Å; T38-V42 WeakPolarHBondContact O-CG2 3.44Å; T38-V42 PolarHBondContact O-N 2.98Å; T38-L69 HydrophobicContact CG2-CD1 3.93Å; T38-L69 HydrophobicContact CG2-CD2 3.98Å
39R93.3Very high87.8Confident21 Ų2151.2 Ų51.28%0.07926%0.256CS..Hα-helixtrans-61.3-43.7175.7-71.6166.7177.4137.54.8112.2E35 E36 F37 M41 V42 I43 L69 F70 L79E35-R39 VanDerWaalsContact CD-CZ 3.43Å; E35-R39 VanDerWaalsContact O-CG 3.27Å; E35-R39 WeakPolarHBondContact O-CG 3.34Å; E35-R39 PolarHBondContact O-N 2.75Å; E35-R39 VanDerWaalsContact O-N 3.11Å; E35-R39 IonicContact OE1-CZ 3.44Å; E35-R39 IonicContact OE1-NH2 2.77Å; E35-R39 PolarHBondContact OE1-NH2 3.4Å; E35-R39 IonicContact OE2-CZ 2.74Å; E35-R39 IonicContact OE2-NH1 3.43Å; E35-R39 PolarHBondContact OE2-NH1 2.74Å; E35-R39 IonicContact OE2-NH2 3.98Å; E35-R39 PolarHBondContact OE2-NH2 3.15Å; E36-R39 PolarHBondContact O-N 3.23Å; F37-R39 VanDerWaalsContact C-N 3.31Å; F37-R39 PolarHBondContact O-N 3.01Å; R39-M41 VanDerWaalsContact C-N 3.35Å; R39-V42 PolarHBondContact O-N 3.44Å; R39-I43 VanDerWaalsContact O-CG1 3.32Å; R39-I43 WeakPolarHBondContact O-CG1 3.42Å; R39-I43 PolarHBondContact O-N 2.92Å; R39-L69 HydrophobicContact CG-CD1 3.92Å; R39-L69 HydrophobicContact CG-CD2 4.11Å; R39-L69 HydrophobicContact CG-CG 3.69Å; R39-L69 VanDerWaalsContact CZ-O 3.23Å; R39-L69 PolarHBondContact NE-O 2.56Å; R39-L69 PolarHBondContact NH2-O 3.15Å; R39-F70 HydrophobicContact CB-CD1 4.46Å; R39-F70 HydrophobicContact CB-CE1 3.87Å; R39-F70 HydrophobicContact CG-CD1 4.08Å; R39-F70 HydrophobicContact CG-CE1 3.95Å; R39-L79 HydrophobicContact CB-CD1 3.52Å; R39-L79 HydrophobicContact CG-CD1 4.28Å
40L90.9Very high88.3Confident0 Ų050.7 Ų50.70%025%0.254CS..Hα-helixtrans-61.8-43.7176.8-71.3167000111.5L29 E36 F37 T38 V42 I43 L44 L79 K82 I83L29-L40 HydrophobicContact CD2-CD1 3.17Å; E36-L40 WeakPolarHBondContact O-CG 3.37Å; E36-L40 PolarHBondContact O-N 3.03Å; F37-L40 WeakPolarHBondContact O-CB 3.46Å; F37-L40 PolarHBondContact O-N 3.48Å; F37-L40 VanDerWaalsContact O-N 3.13Å; T38-L40 PolarHBondContact O-N 2.86Å; L40-V42 PolarHBondContact O-N 3.18Å; L40-I43 PolarHBondContact O-N 3.32Å; L40-L44 WeakPolarHBondContact O-CB 3.49Å; L40-L44 WeakPolarHBondContact O-CG 3.18Å; L40-L44 PolarHBondContact O-N 3.43Å; L40-L79 HydrophobicContact CD2-CB 3.97Å; L40-L79 HydrophobicContact CD2-CD2 3.91Å; L40-L79 HydrophobicContact CD2-CG 4.5Å; L40-L79 WeakPolarHBondContact CD2-O 3.28Å; L40-L79 HydrophobicContact CG-CD2 4.05Å; L40-K82 HydrophobicContact CD1-CD 4.19Å; L40-I83 HydrophobicContact CD2-CD1 3.85Å; L40-I83 HydrophobicContact CD2-CG1 3.59Å
41M88.8Confident88.6Confident31 Ų3149.6 Ų49.615%0.15325%0.25CC..Hα-helixtrans-63.5-39.5178.9-68.7-49.1-63.200112.8I5 V6 F37 T38 R39 L44 K45I5-M41 HydrophobicContact CG2-CE 4.08Å; V6-M41 HydrophobicContact CB-CE 4.42Å; V6-M41 HydrophobicContact CG2-CE 3.52Å; V6-M41 HydrophobicContact CG2-SD 3.61Å; F37-M41 HydrophobicContact CD1-CG 4Å; F37-M41 HydrophobicContact CE1-CG 3.53Å; F37-M41 HydrophobicContact CE1-SD 4.38Å; F37-M41 HydrophobicContact CE2-CG 4.31Å; F37-M41 HydrophobicContact CE2-SD 4.34Å; F37-M41 HydrophobicContact CZ-CG 3.71Å; F37-M41 HydrophobicContact CZ-SD 3.95Å; F37-M41 WeakPolarHBondContact O-CG 3.22Å; F37-M41 PolarHBondContact O-N 3.48Å; T38-M41 PolarHBondContact O-N 2.98Å; R39-M41 VanDerWaalsContact C-N 3.35Å; M41-L44 PolarHBondContact O-N 3.3Å; M41-L44 HydrophobicContact SD-CD1 4.18Å; M41-K45 WeakPolarHBondContact O-CB 3.38Å; M41-K45 PolarHBondContact O-N 3.23Å
42V91.5Very high88.9Confident35 Ų3550.8 Ų50.821%0.21224%0.241CC..Hα-helixtrans-62-46.6173.5171.50000110.6T38 R39 L40 K45 M46 L69 F70T38-V42 WeakPolarHBondContact O-CG2 3.44Å; T38-V42 PolarHBondContact O-N 2.98Å; R39-V42 PolarHBondContact O-N 3.44Å; L40-V42 PolarHBondContact O-N 3.18Å; V42-K45 PolarHBondContact O-N 2.96Å; V42-M46 HydrophobicContact CG1-SD 4.2Å; V42-M46 VanDerWaalsContact O-CG 3.31Å; V42-M46 WeakPolarHBondContact O-CG 3.4Å; V42-M46 PolarHBondContact O-N 3.17Å; V42-L69 HydrophobicContact CB-CD2 4.42Å; V42-L69 HydrophobicContact CG2-CD2 3.78Å; V42-F70 HydrophobicContact CB-CZ 4.3Å; V42-F70 HydrophobicContact CG1-CE2 4Å; V42-F70 HydrophobicContact CG1-CZ 4Å
43I92.1Very high88.9Confident0 Ų048.1 Ų48.10%023%0.231CC..Hα-helixtrans-62.5-46.4178.6-68.6169.6000111.1R39 L40 M46 A47 I62 F70 L79 L80 I83 I96R39-I43 VanDerWaalsContact O-CG1 3.32Å; R39-I43 WeakPolarHBondContact O-CG1 3.42Å; R39-I43 PolarHBondContact O-N 2.92Å; L40-I43 PolarHBondContact O-N 3.32Å; I43-M46 PolarHBondContact O-N 3.05Å; I43-A47 WeakPolarHBondContact O-CB 3.01Å; I43-A47 PolarHBondContact O-N 3.34Å; I43-I62 HydrophobicContact CG1-CG2 3.85Å; I43-F70 HydrophobicContact CD1-CE1 3.96Å; I43-F70 HydrophobicContact CD1-CZ 4.36Å; I43-F70 HydrophobicContact CG1-CE1 4.08Å; I43-F70 HydrophobicContact CG1-CZ 3.95Å; I43-L79 HydrophobicContact CD1-CB 3.6Å; I43-L79 HydrophobicContact CD1-CD1 3.69Å; I43-L79 HydrophobicContact CD1-CG 4.34Å; I43-L80 HydrophobicContact CG2-CD2 3.26Å; I43-L80 HydrophobicContact CG2-CG 4.04Å; I43-I83 HydrophobicContact CB-CD1 3.9Å; I43-I83 HydrophobicContact CG2-CD1 3.4Å; I43-I83 VanDerWaalsContact CG2-CD1 3.4Å; I43-I96 HydrophobicContact CG2-CD1 4.1Å
44L90Very high88.2Confident1 Ų146.3 Ų46.31%0.00523%0.227CC..Hα-helixtrans-61.9-43.2179.4-81173.9000111.9V9 L13 F26 L40 M41 A47 H48 I83 L87V9-L44 HydrophobicContact CG1-CB 3.94Å; V9-L44 HydrophobicContact CG1-CD2 4.26Å; L13-L44 HydrophobicContact CD1-CD2 3.87Å; F26-L44 HydrophobicContact CE1-CD1 3.98Å; F26-L44 HydrophobicContact CZ-CD1 4.44Å; L40-L44 WeakPolarHBondContact O-CB 3.49Å; L40-L44 WeakPolarHBondContact O-CG 3.18Å; L40-L44 PolarHBondContact O-N 3.43Å; M41-L44 PolarHBondContact O-N 3.3Å; M41-L44 HydrophobicContact SD-CD1 4.18Å; L44-A47 PolarHBondContact O-N 2.85Å; L44-H48 VanDerWaalsContact O-CB 3.27Å; L44-H48 WeakPolarHBondContact O-CB 3.32Å; L44-H48 PolarHBondContact O-N 3.01Å; L44-I83 HydrophobicContact CD2-CD1 4.04Å; L44-I83 HydrophobicContact CD2-CG1 4.18Å; L44-I83 HydrophobicContact CD2-CG2 3.62Å; L44-I83 HydrophobicContact CG-CD1 3.87Å; L44-I83 HydrophobicContact CG-CG1 4.24Å; L44-L87 HydrophobicContact CD2-CD1 4.12Å
45K90.5Very high87.8Confident124 Ų12447.8 Ų47.854%0.53923%0.225SC..Hα-helixtrans-58.1-49.7174178.2-177.1173.4-1770111.2M41 V42 A47 H48 E49M41-K45 WeakPolarHBondContact O-CB 3.38Å; M41-K45 PolarHBondContact O-N 3.23Å; V42-K45 PolarHBondContact O-N 2.96Å; K45-A47 PolarHBondContact O-N 2.81Å; K45-H48 WeakPolarHBondContact O-CB 3.18Å; K45-H48 PolarHBondContact O-N 2.82Å; K45-E49 WeakPolarHBondContact CE-OE1 3.49Å; K45-E49 WeakPolarHBondContact O-CG 3.48Å; K45-E49 PolarHBondContact O-N 3.45Å
46M91.6Very high87.3Confident31 Ų3146.4 Ų46.415%0.15322%0.218CC..Hα-helixtrans-65.7-38.5180-67.4-176.874.300111.9V42 I43 A50 I57 I62 S65V42-M46 HydrophobicContact CG1-SD 4.2Å; V42-M46 VanDerWaalsContact O-CG 3.31Å; V42-M46 WeakPolarHBondContact O-CG 3.4Å; V42-M46 PolarHBondContact O-N 3.17Å; I43-M46 PolarHBondContact O-N 3.05Å; M46-A50 WeakPolarHBondContact O-CB 3.45Å; M46-A50 PolarHBondContact O-N 3.25Å; M46-I57 HydrophobicContact CB-CD1 3.64Å; M46-I57 HydrophobicContact CE-CD1 4.29Å; M46-I62 HydrophobicContact CE-CB 4.48Å; M46-I62 HydrophobicContact CE-CG1 3.97Å; M46-I62 HydrophobicContact SD-CB 4.27Å; M46-I62 HydrophobicContact SD-CG1 3.98Å; M46-I62 HydrophobicContact SD-CG2 4.38Å; M46-S65 PolarHBondContact SD-OG 2.84Å
47A89.1Confident87.1Confident0 Ų045.8 Ų45.80%022%0.216CC..Hα-helixtrans-63.3-43.4173.900000111.4I43 L44 K45 A50 V51 L94 I96I43-A47 WeakPolarHBondContact O-CB 3.01Å; I43-A47 PolarHBondContact O-N 3.34Å; L44-A47 PolarHBondContact O-N 2.85Å; K45-A47 PolarHBondContact O-N 2.81Å; A47-A50 WeakPolarHBondContact O-CB 3.33Å; A47-A50 PolarHBondContact O-N 2.89Å; A47-V51 WeakPolarHBondContact O-CB 3.45Å; A47-V51 VanDerWaalsContact O-CG2 3.25Å; A47-V51 WeakPolarHBondContact O-CG2 3.44Å; A47-V51 PolarHBondContact O-N 2.77Å; A47-L94 HydrophobicContact CB-CB 4.41Å; A47-L94 HydrophobicContact CB-CD2 4.03Å; A47-I96 HydrophobicContact CB-CD1 3.86Å
48H86.9Confident87Confident37 Ų3746.8 Ų46.817%0.17122%0.223CC..Hα-helixtrans-61.1-48.2177173.7-86.9000111.5V9 F12 L44 K45 A50 V51 R52V9-H48 HydrophobicContact CG1-CB 4.12Å; V9-H48 HydrophobicContact CG2-CB 4.44Å; F12-H48 AromaticContact CD1-CD2 3.15Å; F12-H48 WeakPolarHBondContact CD1-CD2 3.1Å; F12-H48 AromaticContact CD1-NE2 3.53Å; F12-H48 AromaticContact CD2-NE2 3.82Å; F12-H48 AromaticContact CE1-CD2 3.73Å; F12-H48 AromaticContact CE1-NE2 3.93Å; F12-H48 AromaticContact CG-CD2 3.46Å; F12-H48 VanDerWaalsContact CG-CD2 3.46Å; F12-H48 WeakPolarHBondContact CG-CD2 3.43Å; F12-H48 AromaticContact CG-NE2 3.44Å; F12-H48 WeakPolarHBondContact CG-NE2 3.33Å; L44-H48 VanDerWaalsContact O-CB 3.27Å; L44-H48 WeakPolarHBondContact O-CB 3.32Å; L44-H48 PolarHBondContact O-N 3.01Å; K45-H48 WeakPolarHBondContact O-CB 3.18Å; K45-H48 PolarHBondContact O-N 2.82Å; H48-A50 VanDerWaalsContact C-N 3.35Å; H48-A50 PolarHBondContact O-N 3.06Å; H48-V51 PolarHBondContact O-N 2.86Å; H48-R52 VanDerWaalsContact O-CB 3.23Å; H48-R52 WeakPolarHBondContact O-CB 3.18Å; H48-R52 PolarHBondContact O-N 3.03Å
49E88.5Confident86.9Confident71 Ų7146 Ų4633%0.33221%0.214SC..Hα-helixtrans-59.4-45.2174.6-72.1169.8177.400111.4K45 V51 R52 E53K45-E49 WeakPolarHBondContact CE-OE1 3.49Å; K45-E49 WeakPolarHBondContact O-CG 3.48Å; K45-E49 PolarHBondContact O-N 3.45Å; E49-V51 PolarHBondContact O-N 2.98Å; E49-R52 PolarHBondContact O-N 3.13Å; E49-E53 WeakPolarHBondContact O-CB 3.42Å; E49-E53 WeakPolarHBondContact O-CG 3.38Å; E49-E53 PolarHBondContact O-N 2.91Å
50A87.2Confident86.6Confident3 Ų351.8 Ų51.83%0.02524%0.236CC..Hα-helixtrans-59.3-46.2176.700000112.5M46 A47 H48 D54 K55 I57 K95M46-A50 WeakPolarHBondContact O-CB 3.45Å; M46-A50 PolarHBondContact O-N 3.25Å; A47-A50 WeakPolarHBondContact O-CB 3.33Å; A47-A50 PolarHBondContact O-N 2.89Å; H48-A50 VanDerWaalsContact C-N 3.35Å; H48-A50 PolarHBondContact O-N 3.06Å; A50-D54 PolarHBondContact O-N 3.49Å; A50-D54 VanDerWaalsContact O-N 3.14Å; A50-K55 CarbonylContact C-O 3.39Å; A50-K55 WeakPolarHBondContact CA-O 3.39Å; A50-K55 VanDerWaalsContact CB-O 3.23Å; A50-K55 WeakPolarHBondContact CB-O 3.26Å; A50-K55 PolarHBondContact O-N 2.96Å; A50-K55 VanDerWaalsContact O-O 3.14Å; A50-I57 HydrophobicContact CB-CD1 4.1Å; A50-I57 HydrophobicContact CB-CG1 4Å; A50-I57 HydrophobicContact CB-CG2 4.02Å; A50-K95 HydrophobicContact CB-CB 4.17Å
51V84.5Confident86.5Confident36 Ų3653.8 Ų53.822%0.21825%0.25CC..Hα-helixtrans-64.6-50.1177.4172.70000110.9F12 L13 A47 H48 E49 E53 D54 A93 K95F12-V51 HydrophobicContact CE1-CB 4.1Å; F12-V51 HydrophobicContact CE1-CG1 3.7Å; F12-V51 HydrophobicContact CZ-CG1 4.34Å; L13-V51 HydrophobicContact CD2-CG2 4.07Å; A47-V51 WeakPolarHBondContact O-CB 3.45Å; A47-V51 VanDerWaalsContact O-CG2 3.25Å; A47-V51 WeakPolarHBondContact O-CG2 3.44Å; A47-V51 PolarHBondContact O-N 2.77Å; H48-V51 PolarHBondContact O-N 2.86Å; E49-V51 PolarHBondContact O-N 2.98Å; V51-E53 VanDerWaalsContact C-N 3.34Å; V51-E53 PolarHBondContact O-N 3.28Å; V51-D54 PolarHBondContact O-N 2.88Å; V51-A93 VanDerWaalsContact CG2-O 3.31Å; V51-A93 WeakPolarHBondContact CG2-O 3.47Å; V51-K95 HydrophobicContact CG2-CD 4.4Å; V51-K95 HydrophobicContact CG2-CG 4.17Å; V51-K95 PolarHBondContact O-NZ 3.09Å
52R85Confident86.6Confident146 Ų14652.3 Ų52.355%0.55124%0.242SC*.Hα-helixtrans-60.5-39.9-178.9-174.3-174.469.2179.2-0.2112.8F12 H48 E49 D54F12-R52 HydrophobicContact CE1-CB 4.32Å; F12-R52 HydrophobicContact CZ-CB 3.89Å; F12-R52 HydrophobicContact CZ-CG 4.32Å; H48-R52 VanDerWaalsContact O-CB 3.23Å; H48-R52 WeakPolarHBondContact O-CB 3.18Å; H48-R52 PolarHBondContact O-N 3.03Å; E49-R52 PolarHBondContact O-N 3.13Å; R52-D54 VanDerWaalsContact C-N 3.34Å
53E84.9Confident86.6Confident89 Ų8953.3 Ų53.342%0.41624%0.243SC..THydrogen-bonded Turntrans-89.71-178.8-65.4-177.3-164.900113.8E49 V51 K55E49-E53 WeakPolarHBondContact O-CB 3.42Å; E49-E53 WeakPolarHBondContact O-CG 3.38Å; E49-E53 PolarHBondContact O-N 2.91Å; V51-E53 VanDerWaalsContact C-N 3.34Å; V51-E53 PolarHBondContact O-N 3.28Å; E53-K55 VanDerWaalsContact C-N 3.27Å; E53-K55 HydrophobicContact CB-CB 4.49Å; E53-K55 HydrophobicContact CB-CD 3.96Å; E53-K55 HydrophobicContact CB-CG 4.14Å; E53-K55 PolarHBondContact O-N 2.88Å; E53-K55 WeakPolarHBondContact OE2-CD 3.22Å; E53-K55 WeakPolarHBondContact OE2-CE 3.26Å; E53-K55 IonicContact OE2-NZ 2.71Å; E53-K55 PolarHBondContact OE2-NZ 3.21Å
54D74.8Confident86.6Confident74 Ų7460.9 Ų60.940%0.39627%0.273SS..THydrogen-bonded Turntrans52.642.5-172.4-16234.3000114.1A50 V51 R52 K95A50-D54 PolarHBondContact O-N 3.49Å; A50-D54 VanDerWaalsContact O-N 3.14Å; V51-D54 PolarHBondContact O-N 2.88Å; R52-D54 VanDerWaalsContact C-N 3.34Å; D54-K95 IonicContact OD1-NZ 2.67Å; D54-K95 PolarHBondContact OD1-NZ 3.18Å
55K78.1Confident86.7Confident106 Ų10663.9 Ų63.946%0.46129%0.293SS..  trans-117.6136.4-178.9-71.2174-168.2164.30111.1A50 E53A50-K55 CarbonylContact C-O 3.39Å; A50-K55 WeakPolarHBondContact CA-O 3.39Å; A50-K55 VanDerWaalsContact CB-O 3.23Å; A50-K55 WeakPolarHBondContact CB-O 3.26Å; A50-K55 PolarHBondContact O-N 2.96Å; A50-K55 VanDerWaalsContact O-O 3.14Å; E53-K55 VanDerWaalsContact C-N 3.27Å; E53-K55 HydrophobicContact CB-CB 4.49Å; E53-K55 HydrophobicContact CB-CD 3.96Å; E53-K55 HydrophobicContact CB-CG 4.14Å; E53-K55 PolarHBondContact O-N 2.88Å; E53-K55 WeakPolarHBondContact OE2-CD 3.22Å; E53-K55 WeakPolarHBondContact OE2-CE 3.26Å; E53-K55 IonicContact OE2-NZ 2.71Å; E53-K55 PolarHBondContact OE2-NZ 3.21Å
56F78.8Confident86.7Confident53 Ų5361 Ų6123%0.23228%0.284CS..  trans-78.5136.5165.4-68.8-68.5000110.7K95 N97 K132F56-K95 WeakPolarHBondContact CA-O 3.25Å; F56-K95 HydrophobicContact CD1-CB 3.78Å; F56-K95 HydrophobicContact CD1-CG 4.32Å; F56-K95 HydrophobicContact CE1-CB 4.04Å; F56-K95 HydrophobicContact CE1-CG 4.1Å; F56-N97 HydrophobicContact CD1-CB 4.48Å; F56-N97 VanDerWaalsContact CD1-ND2 3.27Å; F56-N97 WeakPolarHBondContact CD1-ND2 3.26Å; F56-N97 VanDerWaalsContact CE1-ND2 3.26Å; F56-N97 WeakPolarHBondContact CE1-ND2 3.5Å; F56-K132 HydrophobicContact CD2-CG 3.7Å; F56-K132 HydrophobicContact CE2-CB 4.44Å; F56-K132 HydrophobicContact CE2-CG 3.91Å
57I85.4Confident86.7Confident30 Ų3062.2 Ų62.215%0.15429%0.294CS..EExtended strand (participates in β ladder)trans-114.9155.9169.761.7170.5000109.7M46 A50 I62 K95 I96 N97M46-I57 HydrophobicContact CB-CD1 3.64Å; M46-I57 HydrophobicContact CE-CD1 4.29Å; A50-I57 HydrophobicContact CB-CD1 4.1Å; A50-I57 HydrophobicContact CB-CG1 4Å; A50-I57 HydrophobicContact CB-CG2 4.02Å; I57-I62 HydrophobicContact CD1-CD1 4.22Å; I57-I62 HydrophobicContact CD1-CG1 4.1Å; I57-K95 PolarHBondContact N-O 2.82Å; I57-I96 HydrophobicContact CD1-CD1 4.12Å; I57-I96 HydrophobicContact CD1-CG1 3.66Å; I57-I96 HydrophobicContact CG1-CB 4.39Å; I57-I96 HydrophobicContact CG1-CG1 3.56Å; I57-I96 WeakPolarHBondContact O-CA 3.35Å; I57-N97 PolarHBondContact O-N 3.01Å
58T85.6Confident86.8Confident32 Ų3268.1 Ų68.120%0.19633%0.33CS..EExtended strand (participates in β ladder)trans-102.5155.7-176.468.10000111.4R60 S61 I62 N97 S99T58-R60 PolarHBondContact O-N 2.83Å; T58-R60 VanDerWaalsContact O-N 3.08Å; T58-R60 PolarHBondContact OG1-N 2.76Å; T58-S61 PolarHBondContact N-OG 3.1Å; T58-S61 VanDerWaalsContact N-OG 3.11Å; T58-S61 PolarHBondContact O-N 3.44Å; T58-S61 PolarHBondContact O-OG 3.5Å; T58-S61 PolarHBondContact OG1-N 3.31Å; T58-S61 VanDerWaalsContact OG1-N 3.08Å; T58-I62 PolarHBondContact O-N 2.96Å; T58-I62 VanDerWaalsContact O-N 3.14Å; T58-N97 VanDerWaalsContact CA-O 3.28Å; T58-N97 WeakPolarHBondContact CA-O 3.36Å; T58-S99 WeakPolarHBondContact CG2-OG 3.47Å
59K87.4Confident87.1Confident46 Ų4667.4 Ų67.420%0.233%0.327CS..Hα-helixtrans-55.4-29169.9-59-165.9-63.6-176.70112.7Y63 I76 D77 I96 N97 M225K59-Y63 PolarHBondContact O-N 3.15Å; K59-Y63 VanDerWaalsContact O-N 3.1Å; K59-I76 VanDerWaalsContact O-CD1 3.31Å; K59-I76 WeakPolarHBondContact O-CD1 3.48Å; K59-D77 WeakPolarHBondContact CD-OD1 3.25Å; K59-D77 VanDerWaalsContact NZ-CG 3.26Å; K59-D77 IonicContact NZ-OD1 2.9Å; K59-D77 PolarHBondContact NZ-OD1 2.94Å; K59-D77 IonicContact NZ-OD2 2.73Å; K59-D77 PolarHBondContact NZ-OD2 3.37Å; K59-I96 HydrophobicContact CG-CG2 4.35Å; K59-N97 PolarHBondContact N-O 2.73Å; K59-M225 HydrophobicContact CD-CE 4.28Å
60R86.4Confident87.2Confident142 Ų14264 Ų6454%0.53631%0.312SS..Hα-helixtrans-71.6-41.1176-72-175.2178.9136-4.3111.3T58 I62 Y63 Y64 Q73T58-R60 PolarHBondContact O-N 2.83Å; T58-R60 VanDerWaalsContact O-N 3.08Å; T58-R60 PolarHBondContact OG1-N 2.76Å; R60-I62 VanDerWaalsContact C-N 3.28Å; R60-I62 PolarHBondContact O-N 3.4Å; R60-Y63 PolarHBondContact O-N 3.19Å; R60-Y64 HydrophobicContact CB-CD2 4.21Å; R60-Y64 HydrophobicContact CB-CE2 4.1Å; R60-Y64 WeakPolarHBondContact O-CB 3.32Å; R60-Y64 WeakPolarHBondContact O-CD2 3.41Å; R60-Y64 PolarHBondContact O-N 2.9Å; R60-Q73 VanDerWaalsContact CG-NE2 3.3Å
61S88.4Confident87.4Confident42 Ų4269.8 Ų69.829%0.29434%0.336SS..Hα-helixtrans-63.6-36.6176.867.80000111.7T58 Y64 S65T58-S61 PolarHBondContact N-OG 3.1Å; T58-S61 VanDerWaalsContact N-OG 3.11Å; T58-S61 PolarHBondContact O-N 3.44Å; T58-S61 PolarHBondContact O-OG 3.5Å; T58-S61 PolarHBondContact OG1-N 3.31Å; T58-S61 VanDerWaalsContact OG1-N 3.08Å; S61-Y64 PolarHBondContact O-N 2.72Å; S61-S65 PolarHBondContact O-N 2.9Å
62I91.4Very high87.7Confident0 Ų076.7 Ų76.70%036%0.358CS..Hα-helixtrans-63.9-46172.5-61.8170.7000111I43 M46 I57 T58 R60 Y64 S65 F70 I76 I96I43-I62 HydrophobicContact CG1-CG2 3.85Å; M46-I62 HydrophobicContact CE-CB 4.48Å; M46-I62 HydrophobicContact CE-CG1 3.97Å; M46-I62 HydrophobicContact SD-CB 4.27Å; M46-I62 HydrophobicContact SD-CG1 3.98Å; M46-I62 HydrophobicContact SD-CG2 4.38Å; I57-I62 HydrophobicContact CD1-CD1 4.22Å; I57-I62 HydrophobicContact CD1-CG1 4.1Å; T58-I62 PolarHBondContact O-N 2.96Å; T58-I62 VanDerWaalsContact O-N 3.14Å; R60-I62 VanDerWaalsContact C-N 3.28Å; R60-I62 PolarHBondContact O-N 3.4Å; I62-Y64 VanDerWaalsContact C-N 3.33Å; I62-Y64 PolarHBondContact O-N 3.12Å; I62-S65 PolarHBondContact O-N 3.37Å; I62-S65 PolarHBondContact O-OG 2.89Å; I62-F70 HydrophobicContact CG2-CE1 4.35Å; I62-F70 HydrophobicContact CG2-CE2 3.95Å; I62-F70 HydrophobicContact CG2-CZ 3.75Å; I62-F70 VanDerWaalsContact O-CE2 3.28Å; I62-F70 WeakPolarHBondContact O-CE2 3.49Å; I62-I76 HydrophobicContact CB-CD1 4.05Å; I62-I76 HydrophobicContact CD1-CG2 4.32Å; I62-I76 HydrophobicContact CG2-CD1 3.8Å; I62-I76 HydrophobicContact CG2-CG1 4.11Å; I62-I76 HydrophobicContact CG2-CG2 4.26Å; I62-I96 HydrophobicContact CD1-CB 4.41Å; I62-I96 HydrophobicContact CD1-CD1 3.7Å; I62-I96 HydrophobicContact CD1-CG1 3.99Å; I62-I96 HydrophobicContact CD1-CG2 3.5Å; I62-I96 VanDerWaalsContact CD1-CG2 3.5Å
63Y91.8Very high88Confident56 Ų5673 Ų7322%0.2235%0.347CS..Hα-helixtrans-60.6-43.4177.2175.1-107.1000112.1K59 R60 S65 N66 P67 F70 Q73K59-Y63 PolarHBondContact O-N 3.15Å; K59-Y63 VanDerWaalsContact O-N 3.1Å; R60-Y63 PolarHBondContact O-N 3.19Å; Y63-S65 VanDerWaalsContact C-N 3.32Å; Y63-S65 PolarHBondContact O-N 3.28Å; Y63-N66 CarbonylContact O-C 3.34Å; Y63-N66 PolarHBondContact O-N 2.76Å; Y63-P67 WeakPolarHBondContact O-CA 3.48Å; Y63-F70 HydrophobicContact CD2-CB 3.92Å; Y63-F70 HydrophobicContact CE2-CB 4.36Å; Y63-Q73 HydrophobicContact CD2-CB 4.25Å; Y63-Q73 HydrophobicContact CG-CB 4.3Å
64Y92.1Very high88.2Confident160 Ų16072.6 Ų72.663%0.62735%0.354SS*.Hα-helixtrans-75.6-15.1-178.7-69.5-53.5000114.4R60 S61 I62 N66R60-Y64 HydrophobicContact CB-CD2 4.21Å; R60-Y64 HydrophobicContact CB-CE2 4.1Å; R60-Y64 WeakPolarHBondContact O-CB 3.32Å; R60-Y64 WeakPolarHBondContact O-CD2 3.41Å; R60-Y64 PolarHBondContact O-N 2.9Å; S61-Y64 PolarHBondContact O-N 2.72Å; I62-Y64 VanDerWaalsContact C-N 3.33Å; I62-Y64 PolarHBondContact O-N 3.12Å; Y64-N66 VanDerWaalsContact C-N 3.26Å; Y64-N66 PolarHBondContact O-N 3.44Å
65S91.8Very high89Confident63 Ų6371.4 Ų71.444%0.44135%0.347SS..Hα-helixtrans-66.2-3317474.80000111.7M46 S61 I62 Y63M46-S65 PolarHBondContact SD-OG 2.84Å; S61-S65 PolarHBondContact O-N 2.9Å; I62-S65 PolarHBondContact O-N 3.37Å; I62-S65 PolarHBondContact O-OG 2.89Å; Y63-S65 VanDerWaalsContact C-N 3.32Å; Y63-S65 PolarHBondContact O-N 3.28Å
66N90.3Very high89.6Confident64 Ų6466.3 Ų66.334%0.34233%0.325SS..  trans-155.883.2171.8-164.2-33.3000112.1Y63 Y64 V68 L69 F70Y63-N66 CarbonylContact O-C 3.34Å; Y63-N66 PolarHBondContact O-N 2.76Å; Y64-N66 VanDerWaalsContact C-N 3.26Å; Y64-N66 PolarHBondContact O-N 3.44Å; N66-V68 VanDerWaalsContact C-N 3.25Å; N66-V68 PolarHBondContact O-N 2.8Å; N66-V68 PolarHBondContact OD1-N 2.84Å; N66-L69 HydrophobicContact CB-CB 3.88Å; N66-L69 HydrophobicContact CB-CD2 4.44Å; N66-L69 PolarHBondContact O-N 2.9Å; N66-L69 VanDerWaalsContact OD1-CB 3.31Å; N66-L69 WeakPolarHBondContact OD1-CB 3.45Å; N66-L69 PolarHBondContact OD1-N 2.84Å; N66-F70 VanDerWaalsContact O-CD2 3.29Å; N66-F70 WeakPolarHBondContact O-CD2 3.44Å; N66-F70 PolarHBondContact O-N 2.76Å; N66-F70 VanDerWaalsContact O-N 3.12Å
67P91.9Very high90Very high56 Ų5665.7 Ų65.736%0.36432%0.324SS..Hα-helixtrans-59.8-34.3-178.4-25.734.7000113.5Y63 K71Y63-P67 WeakPolarHBondContact O-CA 3.48Å; P67-K71 WeakPolarHBondContact O-CA 3.11Å; P67-K71 PolarHBondContact O-N 3.45Å
68V91.9Very high90.2Very high125 Ų12568.2 Ų68.276%0.75834%0.343SS*.Hα-helixtrans-65-44.3179.3-1800000110.6N66 K71N66-V68 VanDerWaalsContact C-N 3.25Å; N66-V68 PolarHBondContact O-N 2.8Å; N66-V68 PolarHBondContact OD1-N 2.84Å; V68-K71 WeakPolarHBondContact O-CG 3.16Å
69L92.2Very high90.5Very high22 Ų2267.2 Ų67.212%0.11534%0.336CS..Hα-helixtrans-65.4-46.5178178.965.8000111.5E35 T38 R39 V42 N66E35-L69 HydrophobicContact CG-CD1 4.37Å; T38-L69 HydrophobicContact CG2-CD1 3.93Å; T38-L69 HydrophobicContact CG2-CD2 3.98Å; R39-L69 HydrophobicContact CG-CD1 3.92Å; R39-L69 HydrophobicContact CG-CD2 4.11Å; R39-L69 HydrophobicContact CG-CG 3.69Å; R39-L69 VanDerWaalsContact CZ-O 3.23Å; R39-L69 PolarHBondContact NE-O 2.56Å; R39-L69 PolarHBondContact NH2-O 3.15Å; V42-L69 HydrophobicContact CB-CD2 4.42Å; V42-L69 HydrophobicContact CG2-CD2 3.78Å; N66-L69 HydrophobicContact CB-CB 3.88Å; N66-L69 HydrophobicContact CB-CD2 4.44Å; N66-L69 PolarHBondContact O-N 2.9Å; N66-L69 VanDerWaalsContact OD1-CB 3.31Å; N66-L69 WeakPolarHBondContact OD1-CB 3.45Å; N66-L69 PolarHBondContact OD1-N 2.84Å
70F92.1Very high90.6Very high0 Ų065 Ų650%033%0.326CS..Hα-helixtrans-80-27.5-174.9-72.6-70.5000113.7R39 V42 I43 I62 Y63 N66 R72 I75 I76 L79R39-F70 HydrophobicContact CB-CD1 4.46Å; R39-F70 HydrophobicContact CB-CE1 3.87Å; R39-F70 HydrophobicContact CG-CD1 4.08Å; R39-F70 HydrophobicContact CG-CE1 3.95Å; V42-F70 HydrophobicContact CB-CZ 4.3Å; V42-F70 HydrophobicContact CG1-CE2 4Å; V42-F70 HydrophobicContact CG1-CZ 4Å; I43-F70 HydrophobicContact CD1-CE1 3.96Å; I43-F70 HydrophobicContact CD1-CZ 4.36Å; I43-F70 HydrophobicContact CG1-CE1 4.08Å; I43-F70 HydrophobicContact CG1-CZ 3.95Å; I62-F70 HydrophobicContact CG2-CE1 4.35Å; I62-F70 HydrophobicContact CG2-CE2 3.95Å; I62-F70 HydrophobicContact CG2-CZ 3.75Å; I62-F70 VanDerWaalsContact O-CE2 3.28Å; I62-F70 WeakPolarHBondContact O-CE2 3.49Å; Y63-F70 HydrophobicContact CD2-CB 3.92Å; Y63-F70 HydrophobicContact CE2-CB 4.36Å; N66-F70 VanDerWaalsContact O-CD2 3.29Å; N66-F70 WeakPolarHBondContact O-CD2 3.44Å; N66-F70 PolarHBondContact O-N 2.76Å; N66-F70 VanDerWaalsContact O-N 3.12Å; F70-R72 PolarHBondContact O-N 3.03Å; F70-I75 WeakPolarHBondContact O-CD1 3.41Å; F70-I76 HydrophobicContact CD1-CD1 4.5Å; F70-I76 HydrophobicContact CD1-CG1 3.85Å; F70-I76 HydrophobicContact CE1-CG1 4.1Å; F70-I76 HydrophobicContact CG-CG1 4.36Å; F70-L79 HydrophobicContact CE1-CD1 4.21Å
71K90.2Very high90.7Very high123 Ų12360.8 Ų60.854%0.53532%0.318SS..SBendtrans60.9-57.7-176.3-61.1170.3173157.90113.6E35 P67 V68E35-K71 WeakPolarHBondContact OE1-CE 3.42Å; E35-K71 IonicContact OE1-NZ 2.75Å; E35-K71 PolarHBondContact OE1-NZ 3.14Å; E35-K71 IonicContact OE2-NZ 2.97Å; P67-K71 WeakPolarHBondContact O-CA 3.11Å; P67-K71 PolarHBondContact O-N 3.45Å; V68-K71 WeakPolarHBondContact O-CG 3.16Å
72R91.9Very high90.7Very high181 Ų18160.9 Ų60.968%0.68331%0.314SS*.SBendtrans-128.4137.1179-59.7179.4-178.6175.10.4110.6F70 S74 I75F70-R72 PolarHBondContact O-N 3.03Å; R72-S74 PolarHBondContact O-N 2.87Å; R72-S74 VanDerWaalsContact O-N 3.16Å; R72-I75 HydrophobicContact CB-CG1 4.36Å; R72-I75 PolarHBondContact O-N 2.89Å; R72-I75 VanDerWaalsContact O-N 3.16Å
73Q89.6Confident90.5Very high70 Ų7061 Ų6133%0.32731%0.314SS..G310 helixtrans-59.5-28.8176.9-168.3-179.98.500112.8R60 Y63 I75 I76R60-Q73 VanDerWaalsContact CG-NE2 3.3Å; Y63-Q73 HydrophobicContact CD2-CB 4.25Å; Y63-Q73 HydrophobicContact CG-CB 4.3Å; Q73-I75 PolarHBondContact O-N 3.24Å; Q73-I75 VanDerWaalsContact O-N 3.13Å; Q73-I76 HydrophobicContact CG-CD1 4.2Å; Q73-I76 WeakPolarHBondContact O-CB 3.43Å; Q73-I76 PolarHBondContact O-N 3.36Å; Q73-I76 VanDerWaalsContact O-N 3.14Å
74S89.3Confident90.2Very high79 Ų7959 Ų5955%0.55231%0.309SS*.G310 helixtrans-62.3-17.6179.161.30000114.3R72 I76 P78R72-S74 PolarHBondContact O-N 2.87Å; R72-S74 VanDerWaalsContact O-N 3.16Å; S74-I76 VanDerWaalsContact C-N 3.33Å; S74-P78 WeakPolarHBondContact O-CD 3.33Å
75I91.3Very high89.9Confident49 Ų4959.9 Ų59.925%0.25132%0.316SS..G310 helixtrans-74-26.4177.9-60.8-170.8000111.5F70 R72 Q73 D77 P78 L79F70-I75 WeakPolarHBondContact O-CD1 3.41Å; R72-I75 HydrophobicContact CB-CG1 4.36Å; R72-I75 PolarHBondContact O-N 2.89Å; R72-I75 VanDerWaalsContact O-N 3.16Å; Q73-I75 PolarHBondContact O-N 3.24Å; Q73-I75 VanDerWaalsContact O-N 3.13Å; I75-D77 VanDerWaalsContact C-N 3.31Å; I75-D77 PolarHBondContact O-N 3.13Å; I75-P78 WeakPolarHBondContact O-CD 3.26Å; I75-L79 HydrophobicContact CG2-CD1 3.79Å; I75-L79 HydrophobicContact CG2-CG 4.16Å; I75-L79 VanDerWaalsContact O-CG 3.29Å; I75-L79 WeakPolarHBondContact O-CG 3.37Å; I75-L79 PolarHBondContact O-N 3.39Å
76I91Very high89.4Confident0 Ų058.1 Ų58.10%030%0.3CS..Hα-helixtrans-64.5-37.6-176.6-65.8168.3000111.3K59 I62 F70 Q73 S74 L79 L80K59-I76 VanDerWaalsContact O-CD1 3.31Å; K59-I76 WeakPolarHBondContact O-CD1 3.48Å; I62-I76 HydrophobicContact CB-CD1 4.05Å; I62-I76 HydrophobicContact CD1-CG2 4.32Å; I62-I76 HydrophobicContact CG2-CD1 3.8Å; I62-I76 HydrophobicContact CG2-CG1 4.11Å; I62-I76 HydrophobicContact CG2-CG2 4.26Å; F70-I76 HydrophobicContact CD1-CD1 4.5Å; F70-I76 HydrophobicContact CD1-CG1 3.85Å; F70-I76 HydrophobicContact CE1-CG1 4.1Å; F70-I76 HydrophobicContact CG-CG1 4.36Å; Q73-I76 HydrophobicContact CG-CD1 4.2Å; Q73-I76 WeakPolarHBondContact O-CB 3.43Å; Q73-I76 PolarHBondContact O-N 3.36Å; Q73-I76 VanDerWaalsContact O-N 3.14Å; S74-I76 VanDerWaalsContact C-N 3.33Å; I76-L79 PolarHBondContact O-N 3.04Å; I76-L80 HydrophobicContact CG2-CD1 3.5Å; I76-L80 HydrophobicContact CG2-CG 4.01Å; I76-L80 WeakPolarHBondContact O-CB 3.42Å; I76-L80 VanDerWaalsContact O-CG 3.27Å; I76-L80 WeakPolarHBondContact O-CG 3.19Å; I76-L80 PolarHBondContact O-N 2.82Å
77D87.9Confident89Confident39 Ų3955.2 Ų55.221%0.20929%0.285CS..Hα-helixtrans-64.6-51.2-176-74.6-27.3000113.1K59 I75 L79 S81 R91 M225K59-D77 WeakPolarHBondContact CD-OD1 3.25Å; K59-D77 VanDerWaalsContact NZ-CG 3.26Å; K59-D77 IonicContact NZ-OD1 2.9Å; K59-D77 PolarHBondContact NZ-OD1 2.94Å; K59-D77 IonicContact NZ-OD2 2.73Å; K59-D77 PolarHBondContact NZ-OD2 3.37Å; I75-D77 VanDerWaalsContact C-N 3.31Å; I75-D77 PolarHBondContact O-N 3.13Å; D77-L79 VanDerWaalsContact C-N 3.34Å; D77-L79 PolarHBondContact O-N 3.24Å; D77-S81 PolarHBondContact O-N 2.88Å; D77-S81 VanDerWaalsContact O-N 3.1Å; D77-S81 PolarHBondContact O-OG 3.48Å; D77-S81 VanDerWaalsContact O-OG 3.08Å; D77-R91 PolarHBondContact O-NH2 3.41Å; D77-R91 IonicContact OD1-NH2 2.83Å; D77-M225 HydrophobicContact CB-SD 4.34Å; D77-M225 WeakPolarHBondContact OD1-CE 3.37Å
78P90.4Very high88.6Confident84 Ų8456.8 Ų56.855%0.54530%0.297SS..Hα-helixtrans-56.1-42.9171.8-27.433.8000113.9S74 I75 S81 K82S74-P78 WeakPolarHBondContact O-CD 3.33Å; I75-P78 WeakPolarHBondContact O-CD 3.26Å; P78-S81 WeakPolarHBondContact O-CB 3.32Å; P78-S81 PolarHBondContact O-N 2.71Å; P78-S81 VanDerWaalsContact O-N 3.15Å; P78-K82 PolarHBondContact O-N 3.19Å
79L91.4Very high88.1Confident10 Ų1052.1 Ų52.15%0.05227%0.268CS..Hα-helixtrans-65.4-46.8-177-69.9176.3000112.3E36 R39 L40 I43 F70 I75 I76 D77 S81 K82 I83E36-L79 HydrophobicContact CG-CD2 3.79Å; R39-L79 HydrophobicContact CB-CD1 3.52Å; R39-L79 HydrophobicContact CG-CD1 4.28Å; L40-L79 HydrophobicContact CD2-CB 3.97Å; L40-L79 HydrophobicContact CD2-CD2 3.91Å; L40-L79 HydrophobicContact CD2-CG 4.5Å; L40-L79 WeakPolarHBondContact CD2-O 3.28Å; L40-L79 HydrophobicContact CG-CD2 4.05Å; I43-L79 HydrophobicContact CD1-CB 3.6Å; I43-L79 HydrophobicContact CD1-CD1 3.69Å; I43-L79 HydrophobicContact CD1-CG 4.34Å; F70-L79 HydrophobicContact CE1-CD1 4.21Å; I75-L79 HydrophobicContact CG2-CD1 3.79Å; I75-L79 HydrophobicContact CG2-CG 4.16Å; I75-L79 VanDerWaalsContact O-CG 3.29Å; I75-L79 WeakPolarHBondContact O-CG 3.37Å; I75-L79 PolarHBondContact O-N 3.39Å; I76-L79 PolarHBondContact O-N 3.04Å; D77-L79 VanDerWaalsContact C-N 3.34Å; D77-L79 PolarHBondContact O-N 3.24Å; L79-S81 PolarHBondContact O-N 3.07Å; L79-K82 VanDerWaalsContact O-CB 3.3Å; L79-K82 WeakPolarHBondContact O-CB 3.21Å; L79-K82 PolarHBondContact O-N 3.08Å; L79-I83 WeakPolarHBondContact O-CG1 3.5Å; L79-I83 PolarHBondContact O-N 3.05Å
80L90Very high87.4Confident0 Ų053.4 Ų53.40%028%0.277CS..Hα-helixtrans-62.5-32.9174.5-72.1166.5000111.6I43 I76 K82 I83 C84 R91 L94 I96I43-L80 HydrophobicContact CG2-CD2 3.26Å; I43-L80 HydrophobicContact CG2-CG 4.04Å; I76-L80 HydrophobicContact CG2-CD1 3.5Å; I76-L80 HydrophobicContact CG2-CG 4.01Å; I76-L80 WeakPolarHBondContact O-CB 3.42Å; I76-L80 VanDerWaalsContact O-CG 3.27Å; I76-L80 WeakPolarHBondContact O-CG 3.19Å; I76-L80 PolarHBondContact O-N 2.82Å; L80-K82 VanDerWaalsContact C-N 3.3Å; L80-I83 PolarHBondContact O-N 3.28Å; L80-C84 PolarHBondContact O-N 3.37Å; L80-C84 PolarHBondContact O-SG 3.36Å; L80-R91 PolarHBondContact O-NH1 2.93Å; L80-R91 VanDerWaalsContact O-NH1 3.12Å; L80-L94 HydrophobicContact CD2-CD1 3.74Å; L80-I96 HydrophobicContact CD1-CG2 3.87Å; L80-I96 HydrophobicContact CD2-CB 4.42Å; L80-I96 HydrophobicContact CD2-CD1 3.37Å; L80-I96 HydrophobicContact CD2-CG1 4.44Å; L80-I96 HydrophobicContact CD2-CG2 4.31Å
81S87.7Confident86.8Confident53 Ų5354.3 Ų54.337%0.37128%0.281SS..Hα-helixtrans-69.6-34.6177.9-65.80000111.1D77 P78 L79 K85 R91D77-S81 PolarHBondContact O-N 2.88Å; D77-S81 VanDerWaalsContact O-N 3.1Å; D77-S81 PolarHBondContact O-OG 3.48Å; D77-S81 VanDerWaalsContact O-OG 3.08Å; P78-S81 WeakPolarHBondContact O-CB 3.32Å; P78-S81 PolarHBondContact O-N 2.71Å; P78-S81 VanDerWaalsContact O-N 3.15Å; L79-S81 PolarHBondContact O-N 3.07Å; S81-K85 WeakPolarHBondContact O-CB 3.29Å; S81-K85 PolarHBondContact O-N 2.95Å; S81-R91 PolarHBondContact OG-NH1 2.92Å; S81-R91 VanDerWaalsContact OG-NH1 3.14Å
82K88Confident86.1Confident45 Ų4549.4 Ų49.420%0.19626%0.262CS..Hα-helixtrans-61.3-48.9169.4-171177.7-177.9-175.30111.2L29 E36 L40 P78 L79 L80 C84 K85 E86L29-K82 VanDerWaalsContact CD1-NZ 3.28Å; L29-K82 VanDerWaalsContact CD2-NZ 3.27Å; E36-K82 IonicContact OE1-NZ 3.16Å; E36-K82 PolarHBondContact OE1-NZ 3.15Å; L40-K82 HydrophobicContact CD1-CD 4.19Å; P78-K82 PolarHBondContact O-N 3.19Å; L79-K82 VanDerWaalsContact O-CB 3.3Å; L79-K82 WeakPolarHBondContact O-CB 3.21Å; L79-K82 PolarHBondContact O-N 3.08Å; L80-K82 VanDerWaalsContact C-N 3.3Å; K82-C84 PolarHBondContact O-N 2.8Å; K82-K85 WeakPolarHBondContact O-CB 3.43Å; K82-K85 PolarHBondContact O-N 3.17Å; K82-K85 VanDerWaalsContact O-N 3.16Å; K82-E86 WeakPolarHBondContact CE-OE1 2.91Å; K82-E86 HydrophobicContact CG-CG 4.45Å; K82-E86 WeakPolarHBondContact CG-OE1 3.26Å; K82-E86 WeakPolarHBondContact O-CB 3.45Å; K82-E86 WeakPolarHBondContact O-CG 3.34Å; K82-E86 PolarHBondContact O-N 3.41Å
83I87.7Confident85.4Confident1 Ų142.8 Ų42.81%0.00525%0.246CC..Hα-helixtrans-55.6-49.1175.5-68.4168.2000111.5L40 I43 L44 L79 L80 K85 E86 L87 L94L40-I83 HydrophobicContact CD2-CD1 3.85Å; L40-I83 HydrophobicContact CD2-CG1 3.59Å; I43-I83 HydrophobicContact CB-CD1 3.9Å; I43-I83 HydrophobicContact CG2-CD1 3.4Å; I43-I83 VanDerWaalsContact CG2-CD1 3.4Å; L44-I83 HydrophobicContact CD2-CD1 4.04Å; L44-I83 HydrophobicContact CD2-CG1 4.18Å; L44-I83 HydrophobicContact CD2-CG2 3.62Å; L44-I83 HydrophobicContact CG-CD1 3.87Å; L44-I83 HydrophobicContact CG-CG1 4.24Å; L79-I83 WeakPolarHBondContact O-CG1 3.5Å; L79-I83 PolarHBondContact O-N 3.05Å; L80-I83 PolarHBondContact O-N 3.28Å; I83-K85 VanDerWaalsContact C-N 3.32Å; I83-K85 PolarHBondContact O-N 2.71Å; I83-E86 PolarHBondContact O-N 2.67Å; I83-L87 HydrophobicContact CG2-CD1 3.64Å; I83-L87 HydrophobicContact CG2-CG 4.25Å; I83-L87 WeakPolarHBondContact O-CB 3.28Å; I83-L87 WeakPolarHBondContact O-CG 3.01Å; I83-L87 PolarHBondContact O-N 2.99Å; I83-L94 HydrophobicContact CG2-CD1 4.07Å; I83-L94 HydrophobicContact CG2-CD2 3.98Å
84C85.5Confident85.2Confident16 Ų1639.4 Ų39.411%0.10823%0.23CC..Hα-helixtrans-60.3-42.4178.8-69.20000112.4L80 K82 S88 I89 R91L80-C84 PolarHBondContact O-N 3.37Å; L80-C84 PolarHBondContact O-SG 3.36Å; K82-C84 PolarHBondContact O-N 2.8Å; C84-S88 WeakPolarHBondContact O-CA 3.14Å; C84-S88 PolarHBondContact O-N 2.9Å; C84-I89 WeakPolarHBondContact CB-O 3.02Å; C84-I89 PolarHBondContact O-N 3.26Å; C84-I89 VanDerWaalsContact O-N 3.15Å; C84-R91 VanDerWaalsContact SG-CA 3.55Å; C84-R91 VanDerWaalsContact SG-CD 3.58Å
85K85.2Confident84.8Confident178 Ų17837.5 Ų37.577%0.77421%0.212SC*.Hα-helixtrans-63.8-46.8177.5-174.8-178.4178.8-175.90111.3S81 K82 I83 S88S81-K85 WeakPolarHBondContact O-CB 3.29Å; S81-K85 PolarHBondContact O-N 2.95Å; K82-K85 WeakPolarHBondContact O-CB 3.43Å; K82-K85 PolarHBondContact O-N 3.17Å; K82-K85 VanDerWaalsContact O-N 3.16Å; I83-K85 VanDerWaalsContact C-N 3.32Å; I83-K85 PolarHBondContact O-N 2.71Å; K85-S88 PolarHBondContact O-N 3.3Å
86E82Confident84.4Confident25 Ų2535.5 Ų35.512%0.11720%0.201CC..Hα-helixtrans-66.3-41.4-179.4-74.7166.5170.700111.8K22 H25 F26 K82 I83 S88K22-E86 VanDerWaalsContact CD-O 3.24Å; K22-E86 WeakPolarHBondContact CD-O 3.41Å; K22-E86 WeakPolarHBondContact CE-O 3.4Å; K22-E86 PolarHBondContact NZ-O 2.76Å; H25-E86 IonicContact CD2-OE1 3.84Å; H25-E86 PolarHBondContact CD2-OE1 3.37Å; H25-E86 IonicContact NE2-OE1 3.1Å; H25-E86 PolarHBondContact NE2-OE1 3.3Å; F26-E86 HydrophobicContact CE2-CB 4.11Å; F26-E86 HydrophobicContact CE2-CG 4.19Å; F26-E86 VanDerWaalsContact CE2-OE2 3.24Å; F26-E86 WeakPolarHBondContact CE2-OE2 2.85Å; F26-E86 HydrophobicContact CZ-CB 4.4Å; F26-E86 WeakPolarHBondContact CZ-OE2 3.12Å; K82-E86 WeakPolarHBondContact CE-OE1 2.91Å; K82-E86 HydrophobicContact CG-CG 4.45Å; K82-E86 WeakPolarHBondContact CG-OE1 3.26Å; K82-E86 WeakPolarHBondContact O-CB 3.45Å; K82-E86 WeakPolarHBondContact O-CG 3.34Å; K82-E86 PolarHBondContact O-N 3.41Å; I83-E86 PolarHBondContact O-N 2.67Å; E86-S88 VanDerWaalsContact C-N 3.34Å
87L82.2Confident83.6Confident4 Ų436.5 Ų36.52%0.02121%0.207CC..Hα-helixtrans-82.6-13.4179.4-64-179.4000113.2M10 L13 K14 L44 I83 I89M10-L87 HydrophobicContact CB-CD2 4.34Å; M10-L87 HydrophobicContact CG-CD2 3.92Å; L13-L87 HydrophobicContact CB-CD1 4.1Å; L13-L87 HydrophobicContact CD1-CD1 3.5Å; L13-L87 VanDerWaalsContact CD1-CD1 3.5Å; L13-L87 HydrophobicContact CG-CD1 4.45Å; K14-L87 VanDerWaalsContact CE-O 3.25Å; K14-L87 WeakPolarHBondContact CE-O 3.46Å; L44-L87 HydrophobicContact CD2-CD1 4.12Å; I83-L87 HydrophobicContact CG2-CD1 3.64Å; I83-L87 HydrophobicContact CG2-CG 4.25Å; I83-L87 WeakPolarHBondContact O-CB 3.28Å; I83-L87 WeakPolarHBondContact O-CG 3.01Å; I83-L87 PolarHBondContact O-N 2.99Å; L87-I89 VanDerWaalsContact C-N 3.28Å; L87-I89 HydrophobicContact CB-CD1 3.85Å; L87-I89 HydrophobicContact CB-CG1 3.84Å; L87-I89 HydrophobicContact CB-CG2 4.16Å; L87-I89 HydrophobicContact CD1-CD1 3.74Å; L87-I89 HydrophobicContact CG-CD1 4.47Å
88S83Confident82.7Confident89 Ų8937.1 Ų37.162%0.62222%0.218SC*.THydrogen-bonded Turntrans59.339.6-174.6-46.50000112.1K22 C84 K85 E86K22-S88 PolarHBondContact NZ-OG 2.74Å; K22-S88 VanDerWaalsContact NZ-OG 3.08Å; C84-S88 WeakPolarHBondContact O-CA 3.14Å; C84-S88 PolarHBondContact O-N 2.9Å; K85-S88 PolarHBondContact O-N 3.3Å; E86-S88 VanDerWaalsContact C-N 3.34Å
89I81.1Confident81.7Confident27 Ų2735.6 Ų35.614%0.13821%0.209CC..  trans-119149-179.765.2-177.2000110.6C84 L87 A93 L94C84-I89 WeakPolarHBondContact CB-O 3.02Å; C84-I89 PolarHBondContact O-N 3.26Å; C84-I89 VanDerWaalsContact O-N 3.15Å; L87-I89 VanDerWaalsContact C-N 3.28Å; L87-I89 HydrophobicContact CB-CD1 3.85Å; L87-I89 HydrophobicContact CB-CG1 3.84Å; L87-I89 HydrophobicContact CB-CG2 4.16Å; L87-I89 HydrophobicContact CD1-CD1 3.74Å; L87-I89 HydrophobicContact CG-CD1 4.47Å; I89-A93 HydrophobicContact CB-CB 4.2Å; I89-A93 HydrophobicContact CD1-CB 4.33Å; I89-A93 HydrophobicContact CG1-CB 4.48Å; I89-L94 HydrophobicContact CD1-CD2 3.67Å; I89-L94 HydrophobicContact CD1-CG 4.22Å
90P77.8Confident80.9Confident49 Ų4936.6 Ų36.632%0.31822%0.216SC..  trans-66.7153.2172.532.6-38.5000110.2C92 A93 E229P90-C92 VanDerWaalsContact C-N 3.25Å; P90-C92 PolarHBondContact O-N 2.93Å; P90-A93 HydrophobicContact CG-CB 4.07Å; P90-A93 VanDerWaalsContact O-CB 3.27Å; P90-A93 WeakPolarHBondContact O-CB 3.44Å; P90-A93 PolarHBondContact O-N 2.75Å; P90-E229 WeakPolarHBondContact CB-O 3.5Å; P90-E229 VanDerWaalsContact CG-O 3.32Å; P90-E229 WeakPolarHBondContact CG-O 3.49Å
91R79.8Confident80.5Confident18 Ų1841 Ų417%0.06824%0.236CC..G310 helixtrans-61.2-33.6-176.3-178.354.2148.5-93.8-16.2113.5D77 L80 S81 C84 A93 L94D77-R91 PolarHBondContact O-NH2 3.41Å; D77-R91 IonicContact OD1-NH2 2.83Å; L80-R91 PolarHBondContact O-NH1 2.93Å; L80-R91 VanDerWaalsContact O-NH1 3.12Å; S81-R91 PolarHBondContact OG-NH1 2.92Å; S81-R91 VanDerWaalsContact OG-NH1 3.14Å; C84-R91 VanDerWaalsContact SG-CA 3.55Å; C84-R91 VanDerWaalsContact SG-CD 3.58Å; R91-A93 PolarHBondContact O-N 3.16Å; R91-L94 PolarHBondContact O-N 3.19Å
92C74.7Confident80.4Confident21 Ų2138.8 Ų38.814%0.14222%0.219CC..G310 helixtrans-62.1-26.4176.253.30000113.1P90 L94 K95 E229P90-C92 VanDerWaalsContact C-N 3.25Å; P90-C92 PolarHBondContact O-N 2.93Å; C92-L94 PolarHBondContact O-N 2.96Å; C92-K95 PolarHBondContact O-N 3.16Å; C92-K95 VanDerWaalsContact O-N 3.13Å; C92-E229 VanDerWaalsContact SG-CG 3.58Å
93A78.5Confident80.4Confident41 Ų4137.7 Ų37.734%0.33922%0.216SC..G310 helixtrans-65.2-22.8178.600000112.9V51 I89 P90 R91 K95V51-A93 VanDerWaalsContact CG2-O 3.31Å; V51-A93 WeakPolarHBondContact CG2-O 3.47Å; I89-A93 HydrophobicContact CB-CB 4.2Å; I89-A93 HydrophobicContact CD1-CB 4.33Å; I89-A93 HydrophobicContact CG1-CB 4.48Å; P90-A93 HydrophobicContact CG-CB 4.07Å; P90-A93 VanDerWaalsContact O-CB 3.27Å; P90-A93 WeakPolarHBondContact O-CB 3.44Å; P90-A93 PolarHBondContact O-N 2.75Å; R91-A93 PolarHBondContact O-N 3.16Å; A93-K95 PolarHBondContact O-N 2.86Å
94L83.9Confident80.3Confident0 Ų038.1 Ų38.10%022%0.218CC..G310 helixtrans-74.8-10.3177.3-65.1-179.8000113.6L13 A47 L80 I83 I89 R91 C92 I96L13-L94 HydrophobicContact CD1-CD2 4.49Å; A47-L94 HydrophobicContact CB-CB 4.41Å; A47-L94 HydrophobicContact CB-CD2 4.03Å; L80-L94 HydrophobicContact CD2-CD1 3.74Å; I83-L94 HydrophobicContact CG2-CD1 4.07Å; I83-L94 HydrophobicContact CG2-CD2 3.98Å; I89-L94 HydrophobicContact CD1-CD2 3.67Å; I89-L94 HydrophobicContact CD1-CG 4.22Å; R91-L94 PolarHBondContact O-N 3.19Å; C92-L94 PolarHBondContact O-N 2.96Å; L94-I96 HydrophobicContact CB-CB 4.4Å; L94-I96 HydrophobicContact CB-CD1 4.09Å; L94-I96 HydrophobicContact CB-CG1 4.22Å; L94-I96 WeakPolarHBondContact O-CG1 3.39Å; L94-I96 PolarHBondContact O-N 3.05Å; L94-I96 VanDerWaalsContact O-N 3.15Å
95K81.8Confident80.3Confident38 Ų3838.6 Ų38.617%0.16522%0.218CC..THydrogen-bonded Turntrans51.731.3-170.8-58.1-168.4-170.9170.70113.7A50 V51 D54 F56 I57 C92 A93A50-K95 HydrophobicContact CB-CB 4.17Å; V51-K95 HydrophobicContact CG2-CD 4.4Å; V51-K95 HydrophobicContact CG2-CG 4.17Å; V51-K95 PolarHBondContact O-NZ 3.09Å; D54-K95 IonicContact OD1-NZ 2.67Å; D54-K95 PolarHBondContact OD1-NZ 3.18Å; F56-K95 WeakPolarHBondContact CA-O 3.25Å; F56-K95 HydrophobicContact CD1-CB 3.78Å; F56-K95 HydrophobicContact CD1-CG 4.32Å; F56-K95 HydrophobicContact CE1-CB 4.04Å; F56-K95 HydrophobicContact CE1-CG 4.1Å; I57-K95 PolarHBondContact N-O 2.82Å; C92-K95 PolarHBondContact O-N 3.16Å; C92-K95 VanDerWaalsContact O-N 3.13Å; A93-K95 PolarHBondContact O-N 2.86Å
96I83.3Confident80.1Confident7 Ų730.3 Ų30.34%0.03618%0.183CC..EExtended strand (participates in β ladder)trans-108.4100.7176-63.5167.3000109.1I43 A47 I57 K59 I62 L80 L94I43-I96 HydrophobicContact CG2-CD1 4.1Å; A47-I96 HydrophobicContact CB-CD1 3.86Å; I57-I96 HydrophobicContact CD1-CD1 4.12Å; I57-I96 HydrophobicContact CD1-CG1 3.66Å; I57-I96 HydrophobicContact CG1-CB 4.39Å; I57-I96 HydrophobicContact CG1-CG1 3.56Å; I57-I96 WeakPolarHBondContact O-CA 3.35Å; K59-I96 HydrophobicContact CG-CG2 4.35Å; I62-I96 HydrophobicContact CD1-CB 4.41Å; I62-I96 HydrophobicContact CD1-CD1 3.7Å; I62-I96 HydrophobicContact CD1-CG1 3.99Å; I62-I96 HydrophobicContact CD1-CG2 3.5Å; I62-I96 VanDerWaalsContact CD1-CG2 3.5Å; L80-I96 HydrophobicContact CD1-CG2 3.87Å; L80-I96 HydrophobicContact CD2-CB 4.42Å; L80-I96 HydrophobicContact CD2-CD1 3.37Å; L80-I96 HydrophobicContact CD2-CG1 4.44Å; L80-I96 HydrophobicContact CD2-CG2 4.31Å; L94-I96 HydrophobicContact CB-CB 4.4Å; L94-I96 HydrophobicContact CB-CD1 4.09Å; L94-I96 HydrophobicContact CB-CG1 4.22Å; L94-I96 WeakPolarHBondContact O-CG1 3.39Å; L94-I96 PolarHBondContact O-N 3.05Å; L94-I96 VanDerWaalsContact O-N 3.15Å
97N73.5Confident79.6Confident21 Ų2131.5 Ų31.511%0.11219%0.19CC..EExtended strand (participates in β ladder)trans-116.1165.8-175-72.2-13.4000112.5F56 I57 T58 K59F56-N97 HydrophobicContact CD1-CB 4.48Å; F56-N97 VanDerWaalsContact CD1-ND2 3.27Å; F56-N97 WeakPolarHBondContact CD1-ND2 3.26Å; F56-N97 VanDerWaalsContact CE1-ND2 3.26Å; F56-N97 WeakPolarHBondContact CE1-ND2 3.5Å; I57-N97 PolarHBondContact O-N 3.01Å; T58-N97 VanDerWaalsContact CA-O 3.28Å; T58-N97 WeakPolarHBondContact CA-O 3.36Å; K59-N97 PolarHBondContact N-O 2.73Å
98A69.4Low79Confident53 Ų5331.9 Ų31.944%0.43819%0.192SC..PPolyproline II helixtrans-76.5144.4160.500000108.3S100A98-S100 PolarHBondContact O-N 3.14Å
99S69.6Low78.1Confident51 Ų5130.6 Ų30.636%0.35717%0.174SC..PPolyproline II helixtrans-50.5135.1173-56.50000110.6T58 K101T58-S99 WeakPolarHBondContact CG2-OG 3.47Å; S99-K101 PolarHBondContact O-N 3.31Å
100S73.5Confident77.3Confident31 Ų3130.1 Ų30.122%0.21717%0.172CC..PPolyproline II helixtrans-59.2134.1179.3-169.10000111.7A98 L102 E128 D181A98-S100 PolarHBondContact O-N 3.14Å; S100-L102 WeakPolarHBondContact OG-CB 3.38Å; S100-L102 PolarHBondContact OG-N 2.86Å; S100-E128 PolarHBondContact N-OE2 2.82Å; S100-E128 VanDerWaalsContact N-OE2 3.17Å; S100-D181 VanDerWaalsContact CA-OD2 3.22Å; S100-D181 WeakPolarHBondContact CA-OD2 3.38Å
101K83.2Confident76.4Confident94 Ų9428.2 Ų28.241%0.40916%0.161SC..  trans-100.2-5.6171.2-57-176.5-172.4173.80112.8S99 I103 A176 D181S99-K101 PolarHBondContact O-N 3.31Å; K101-I103 PolarHBondContact O-N 2.75Å; K101-A176 HydrophobicContact CB-CB 4.49Å; K101-A176 WeakPolarHBondContact CB-O 3.32Å; K101-A176 VanDerWaalsContact CD-O 3.26Å; K101-A176 WeakPolarHBondContact CD-O 3.23Å; K101-D181 PolarHBondContact N-OD2 2.61Å
102L85.5Confident75.2Confident5 Ų529.7 Ų29.73%0.02617%0.17CC..  trans-63.6121.1-170.5179.157.2000111.1S100 V104 I126 F131 V174 I183 T184 F187S100-L102 WeakPolarHBondContact OG-CB 3.38Å; S100-L102 PolarHBondContact OG-N 2.86Å; L102-V104 HydrophobicContact CD1-CG2 3.57Å; L102-V104 HydrophobicContact CD2-CG2 4.26Å; L102-V104 HydrophobicContact CG-CG2 3.83Å; L102-I126 HydrophobicContact CD2-CB 4.29Å; L102-I126 HydrophobicContact CD2-CD1 4.02Å; L102-I126 HydrophobicContact CD2-CG2 4.44Å; L102-I126 HydrophobicContact CG-CB 4.48Å; L102-I126 HydrophobicContact CG-CD1 4.44Å; L102-F131 HydrophobicContact CD2-CE2 3.94Å; L102-F131 HydrophobicContact CD2-CZ 3.72Å; L102-V174 HydrophobicContact CD1-CG1 3.64Å; L102-I183 HydrophobicContact CD2-CG2 4.25Å; L102-T184 HydrophobicContact CD1-CG2 3.9Å; L102-F187 HydrophobicContact CD1-CD1 4.4Å; L102-F187 HydrophobicContact CD2-CB 3.91Å; L102-F187 HydrophobicContact CD2-CD1 4.04Å; L102-F187 HydrophobicContact CD2-CD2 4.4Å; L102-F187 HydrophobicContact CD2-CG 3.86Å
103I86.3Confident74Confident23 Ų2330.7 Ų30.712%0.11818%0.184CC..EExtended strand (participates in β ladder)trans-120.2132.2166.6-57.2-178000107.7K101 F156 V174 T175K101-I103 PolarHBondContact O-N 2.75Å; I103-F156 HydrophobicContact CG2-CE1 3.64Å; I103-F156 HydrophobicContact CG2-CZ 3.73Å; I103-V174 CarbonylContact O-C 3.5Å; I103-V174 WeakPolarHBondContact O-CA 3.46Å; I103-T175 HydrophobicContact CB-CG2 3.8Å; I103-T175 HydrophobicContact CG1-CG2 4.48Å; I103-T175 HydrophobicContact CG2-CG2 4.46Å; I103-T175 PolarHBondContact N-O 3.44Å; I103-T175 PolarHBondContact O-N 3.06Å
104V85.5Confident72.4Confident10 Ų1039.9 Ų39.96%0.06121%0.211CC..EExtended strand (participates in β ladder)trans-129.4137.3179.9179.80000108.5L102 I126 L172 L173 V174 F187L102-V104 HydrophobicContact CD1-CG2 3.57Å; L102-V104 HydrophobicContact CD2-CG2 4.26Å; L102-V104 HydrophobicContact CG-CG2 3.83Å; V104-I126 HydrophobicContact CB-CD1 3.64Å; V104-I126 HydrophobicContact CB-CG1 3.99Å; V104-I126 HydrophobicContact CG1-CD1 4.28Å; V104-I126 HydrophobicContact CG2-CD1 3.33Å; V104-I126 HydrophobicContact CG2-CG1 3.99Å; V104-L172 HydrophobicContact CG1-CD1 3.31Å; V104-L172 HydrophobicContact CG1-CD2 3.99Å; V104-L172 HydrophobicContact CG1-CG 3.8Å; V104-L173 CarbonylContact C-O 3.43Å; V104-L173 WeakPolarHBondContact CA-O 3.42Å; V104-V174 HydrophobicContact CG1-CG2 4.35Å; V104-V174 HydrophobicContact CG2-CG1 4.28Å; V104-V174 HydrophobicContact CG2-CG2 4.15Å; V104-F187 HydrophobicContact CG1-CE1 4.49Å; V104-F187 HydrophobicContact CG1-CZ 4.35Å; V104-F187 HydrophobicContact CG2-CD1 4.42Å; V104-F187 HydrophobicContact CG2-CE1 3.77Å; V104-F187 HydrophobicContact CG2-CZ 4.08Å
105Y85.9Confident70.5Confident26 Ų2646.8 Ų46.810%0.10224%0.243CC..EExtended strand (participates in β ladder)trans-132.6122.3174.8-175.2-70.5000109.5N123 L160 Y165 L173Y105-N123 WeakPolarHBondContact CD2-OD1 3.48Å; Y105-N123 HydrophobicContact CE2-CB 4.33Å; Y105-N123 WeakPolarHBondContact CE2-ND2 3.46Å; Y105-N123 WeakPolarHBondContact CE2-OD1 3.26Å; Y105-L160 HydrophobicContact CD1-CD2 3.71Å; Y105-L160 HydrophobicContact CD2-CD1 3.65Å; Y105-L160 HydrophobicContact CD2-CD2 3.43Å; Y105-L160 VanDerWaalsContact CD2-CD2 3.43Å; Y105-L160 HydrophobicContact CD2-CG 4.18Å; Y105-L160 HydrophobicContact CE1-CD2 3.99Å; Y105-L160 HydrophobicContact CE2-CD1 4.08Å; Y105-L160 HydrophobicContact CE2-CD2 3.65Å; Y105-L160 HydrophobicContact CE2-CG 4.4Å; Y105-L160 HydrophobicContact CG-CD1 4.3Å; Y105-L160 HydrophobicContact CG-CD2 3.45Å; Y105-L160 VanDerWaalsContact CG-CD2 3.45Å; Y105-Y165 HydrophobicContact CD1-CD1 4.42Å; Y105-Y165 AromaticContact CD1-CD2 3.89Å; Y105-Y165 HydrophobicContact CD1-CD2 3.89Å; Y105-Y165 HydrophobicContact CD1-CE2 4.46Å; Y105-Y165 AromaticContact CD1-CG 3.87Å; Y105-Y165 HydrophobicContact CD1-CG 3.87Å; Y105-Y165 AromaticContact CE1-CD1 3.54Å; Y105-Y165 HydrophobicContact CE1-CD1 3.54Å; Y105-Y165 AromaticContact CE1-CD2 3.82Å; Y105-Y165 HydrophobicContact CE1-CD2 3.82Å; Y105-Y165 HydrophobicContact CE1-CE1 4.13Å; Y105-Y165 HydrophobicContact CE1-CE2 4.41Å; Y105-Y165 AromaticContact CE1-CG 3.34Å; Y105-Y165 HydrophobicContact CE1-CG 3.34Å; Y105-L173 HydrophobicContact CD1-CD1 4.31Å; Y105-L173 PolarHBondContact N-O 3.03Å; Y105-L173 PolarHBondContact O-N 3.04Å
106G81.2Confident68.6Low4 Ų448.5 Ų48.54%0.04127%0.272CS..SBendtrans154.4168.9176.600000110.4I108G106-I108 VanDerWaalsContact C-N 3.27Å; G106-I108 PolarHBondContact O-N 3.23Å
107D71.7Confident66.8Low50 Ų5053 Ų5327%0.26730%0.296SS..SBendtrans-72.684.3175.2-70.1-39.4000109.1N122 Y165D107-N122 PolarHBondContact OD1-ND2 3.39Å; D107-N122 PolarHBondContact OD1-OD1 3.27Å; D107-N122 VanDerWaalsContact OD1-OD1 3.13Å; D107-Y165 PolarHBondContact N-OH 3.21Å; D107-Y165 PolarHBondContact OD2-OH 3.35Å
108I69.3Low65.6Low11 Ų1156.4 Ų56.46%0.05632%0.318CS..  trans-114.9141.7169-73-166.4000109.5G106 L110 L172 F187G106-I108 VanDerWaalsContact C-N 3.27Å; G106-I108 PolarHBondContact O-N 3.23Å; I108-L110 HydrophobicContact CG2-CD2 3.63Å; I108-L110 HydrophobicContact CG2-CG 3.88Å; I108-L172 HydrophobicContact CD1-CD1 3.22Å; I108-L172 HydrophobicContact CD1-CD2 3.28Å; I108-L172 HydrophobicContact CD1-CG 3.76Å; I108-L172 HydrophobicContact CG1-CD1 3.53Å; I108-L172 HydrophobicContact CG1-CD2 4.47Å; I108-F187 HydrophobicContact CD1-CZ 4.22Å
109Y65.2Low64.8Low62 Ų6256.4 Ų56.424%0.24331%0.31CS..EExtended strand (participates in β ladder)trans-103.7134.8167.7-61.9-88.5000107.7V118 K120 I138Y109-V118 HydrophobicContact CD1-CG1 3.12Å; Y109-V118 HydrophobicContact CE1-CG1 3.69Å; Y109-V118 HydrophobicContact CG-CG1 3.97Å; Y109-K120 HydrophobicContact CD1-CB 4.03Å; Y109-K120 HydrophobicContact CD1-CG 4.46Å; Y109-K120 HydrophobicContact CE1-CB 3.65Å; Y109-K120 HydrophobicContact CE1-CD 4.05Å; Y109-K120 HydrophobicContact CE1-CG 3.87Å; Y109-I138 CarbonylContact C-O 3.53Å; Y109-I138 CarbonylContact O-C 3.55Å
110L64Low63.8Low18 Ų1859.6 Ų59.69%0.09432%0.317CS..EExtended strand (participates in β ladder)trans-118.5117.5175-62173.6000105.6I108 D117 I119 I126 L130 V137 F187I108-L110 HydrophobicContact CG2-CD2 3.63Å; I108-L110 HydrophobicContact CG2-CG 3.88Å; L110-D117 VanDerWaalsContact O-O 3.07Å; L110-I119 PolarHBondContact O-N 3.1Å; L110-I126 HydrophobicContact CD1-CD1 3.98Å; L110-I126 HydrophobicContact CD1-CG1 4.32Å; L110-I126 HydrophobicContact CD1-CG2 4.3Å; L110-L130 HydrophobicContact CD1-CD1 3.64Å; L110-V137 HydrophobicContact CD2-CB 4.28Å; L110-V137 HydrophobicContact CD2-CG1 3.8Å; L110-V137 HydrophobicContact CD2-CG2 4.17Å; L110-F187 HydrophobicContact CD2-CE2 4.1Å
111G57.9Low62.9Low8 Ų862.8 Ų62.88%0.08233%0.325CS..EExtended strand (participates in β ladder)trans-105.7146.8-17900000111.3
112L55.5Low61.3Low50 Ų5062.1 Ų62.126%0.26233%0.325SS..  trans-83132.5161.1-82.4161.4000108.1Y114 S133 Y135L112-Y114 PolarHBondContact O-N 2.88Å; L112-S133 WeakPolarHBondContact CD2-OG 3.39Å; L112-Y135 HydrophobicContact CD1-CE1 3.88Å; L112-Y135 HydrophobicContact CD2-CD1 3.47Å; L112-Y135 VanDerWaalsContact CD2-CD1 3.47Å; L112-Y135 HydrophobicContact CD2-CD2 4.06Å; L112-Y135 HydrophobicContact CD2-CE1 3.18Å; L112-Y135 HydrophobicContact CD2-CE2 3.8Å; L112-Y135 HydrophobicContact CD2-CG 3.9Å; L112-Y135 HydrophobicContact CG-CD1 3.68Å; L112-Y135 HydrophobicContact CG-CE1 3.29Å
113G48.8Very low59.7Low42 Ų4266.1 Ų66.143%0.43335%0.347SS..SBendtrans-656.8-175.600000116.4
114Y45.7Very low58.1Low234 Ų23470.6 Ų70.692%0.91837%0.37SS*.SBendtrans-144.7-10.3179.4-76.8-78.6000115.9L112L112-Y114 PolarHBondContact O-N 2.88Å
115E43.8Very low56.5Low144 Ų14471.9 Ų71.967%0.67339%0.386SS*.SBendtrans-140.8126.9174.1-71.1-175.6157.600108.2D117E115-D117 PolarHBondContact O-N 3.49Å
116G41.3Very low55Low75 Ų7571.3 Ų71.377%0.77338%0.384SS*.  trans-67.539.8-166.200000116.8V118G116-V118 VanDerWaalsContact C-N 3.26Å; G116-V118 PolarHBondContact O-N 3.37Å
117D46.4Very low53.5Low100 Ų10073.3 Ų73.354%0.53540%0.397SS..  trans-73.683.6173.4-80.9-11000109.9L110 E115 I119L110-D117 VanDerWaalsContact O-O 3.07Å; E115-D117 PolarHBondContact O-N 3.49Å; D117-I119 PolarHBondContact O-N 3.49Å; D117-I119 VanDerWaalsContact O-N 3.15Å
118V48.3Very low52.4Low93 Ų9372.7 Ų72.756%0.56439%0.392SS*.  trans-77.292.7172.9174.40000108Y109 G116 K120Y109-V118 HydrophobicContact CD1-CG1 3.12Å; Y109-V118 HydrophobicContact CE1-CG1 3.69Å; Y109-V118 HydrophobicContact CG-CG1 3.97Å; G116-V118 VanDerWaalsContact C-N 3.26Å; G116-V118 PolarHBondContact O-N 3.37Å; V118-K120 PolarHBondContact O-N 2.87Å
119I51.4Low51.3Low53 Ų5374.1 Ų74.127%0.27240%0.403SS..EExtended strand (participates in β ladder)trans-8397.9177.3-61177000108.8L110 D117 R121 L130L110-I119 PolarHBondContact O-N 3.1Å; D117-I119 PolarHBondContact O-N 3.49Å; D117-I119 VanDerWaalsContact O-N 3.15Å; I119-R121 HydrophobicContact CG2-CB 4.18Å; I119-R121 VanDerWaalsContact CG2-CD 3.42Å; I119-R121 HydrophobicContact CG2-CG 3.45Å; I119-R121 VanDerWaalsContact CG2-CG 3.45Å; I119-R121 VanDerWaalsContact CG2-NE 3.33Å; I119-R121 PolarHBondContact O-N 3.5Å; I119-L130 HydrophobicContact CD1-CD2 4.3Å
120K49.3Very low50.7Low118 Ų11871.6 Ų71.651%0.51339%0.394SS..EExtended strand (participates in β ladder)trans-73.4108.5163.7-168.7174.9-176.9170.50108.4Y109 V118Y109-K120 HydrophobicContact CD1-CB 4.03Å; Y109-K120 HydrophobicContact CD1-CG 4.46Å; Y109-K120 HydrophobicContact CE1-CB 3.65Å; Y109-K120 HydrophobicContact CE1-CD 4.05Å; Y109-K120 HydrophobicContact CE1-CG 3.87Å; V118-K120 PolarHBondContact O-N 2.87Å
121R53.7Low50.3Low99 Ų9972.4 Ų72.437%0.37440%0.396SS..  trans-120.599.5179-95.8177.1-171.7-179.98.3111.6I119 P127I119-R121 HydrophobicContact CG2-CB 4.18Å; I119-R121 VanDerWaalsContact CG2-CD 3.42Å; I119-R121 HydrophobicContact CG2-CG 3.45Å; I119-R121 VanDerWaalsContact CG2-CG 3.45Å; I119-R121 VanDerWaalsContact CG2-NE 3.33Å; I119-R121 PolarHBondContact O-N 3.5Å; R121-P127 VanDerWaalsContact NH1-CG 3.26Å
122N51.2Low50Low80 Ų8075.9 Ų75.943%0.42841%0.409SS..SBendtrans-84.4125161.6-63.715.7000105.9D107D107-N122 PolarHBondContact OD1-ND2 3.39Å; D107-N122 PolarHBondContact OD1-OD1 3.27Å; D107-N122 VanDerWaalsContact OD1-OD1 3.13Å
123N51.8Low49.7Very low88 Ų8876.3 Ų76.347%0.47142%0.417SS..SBendtrans83.818.7162.9-108.6-31.4000122Y105Y105-N123 WeakPolarHBondContact CD2-OD1 3.48Å; Y105-N123 HydrophobicContact CE2-CB 4.33Å; Y105-N123 WeakPolarHBondContact CE2-ND2 3.46Å; Y105-N123 WeakPolarHBondContact CE2-OD1 3.26Å
124L52.6Low49.6Very low118 Ų11877.4 Ų77.462%0.61843%0.427SS*.  trans-133.5140.5175-79.3106.1000114I126L124-I126 PolarHBondContact O-N 3.4Å
125G52.2Low50Low37 Ų3768.2 Ų68.238%0.38139%0.392SS..  trans-50.1130173.900000110.4P127G125-P127 WeakPolarHBondContact O-CD 3.46Å; G125-P127 VanDerWaalsContact O-N 3.09Å
126I54.2Low50.6Low13 Ų1366 Ų667%0.06738%0.381CS..  trans-62.4112.5-179.8-65.6-174.5000106.4L102 V104 L110 L124 E128 L130 F131 F187L102-I126 HydrophobicContact CD2-CB 4.29Å; L102-I126 HydrophobicContact CD2-CD1 4.02Å; L102-I126 HydrophobicContact CD2-CG2 4.44Å; L102-I126 HydrophobicContact CG-CB 4.48Å; L102-I126 HydrophobicContact CG-CD1 4.44Å; V104-I126 HydrophobicContact CB-CD1 3.64Å; V104-I126 HydrophobicContact CB-CG1 3.99Å; V104-I126 HydrophobicContact CG1-CD1 4.28Å; V104-I126 HydrophobicContact CG2-CD1 3.33Å; V104-I126 HydrophobicContact CG2-CG1 3.99Å; L110-I126 HydrophobicContact CD1-CD1 3.98Å; L110-I126 HydrophobicContact CD1-CG1 4.32Å; L110-I126 HydrophobicContact CD1-CG2 4.3Å; L124-I126 PolarHBondContact O-N 3.4Å; I126-E128 PolarHBondContact O-N 3.36Å; I126-L130 HydrophobicContact CB-CD1 4.37Å; I126-L130 HydrophobicContact CG2-CB 3.83Å; I126-L130 HydrophobicContact CG2-CD1 3.51Å; I126-L130 HydrophobicContact CG2-CG 4.26Å; I126-F131 HydrophobicContact CG2-CE2 3.57Å; I126-F131 HydrophobicContact CG2-CZ 4.08Å; I126-F187 HydrophobicContact CD1-CD2 4.35Å; I126-F187 HydrophobicContact CD1-CE2 3.84Å; I126-F187 HydrophobicContact CD1-CZ 3.93Å
127P48.9Very low51.4Low47 Ų4762.7 Ų62.731%0.30535%0.346SS..  trans-58.1140.3177.6-25.736.5000108.9R121 G125 S129 L130R121-P127 VanDerWaalsContact NH1-CG 3.26Å; G125-P127 WeakPolarHBondContact O-CD 3.46Å; G125-P127 VanDerWaalsContact O-N 3.09Å; P127-S129 WeakPolarHBondContact CB-OG 3.38Å; P127-S129 PolarHBondContact O-N 3.25Å; P127-L130 WeakPolarHBondContact O-CB 2.93Å; P127-L130 PolarHBondContact O-N 2.9Å
128E49.3Very low52Low36 Ų3661.6 Ų61.617%0.16834%0.339CS..G310 helixtrans-52.9-20.2172.8-178.6161.9-172.500111.9S100 I126 L130 F131 I183S100-E128 PolarHBondContact N-OE2 2.82Å; S100-E128 VanDerWaalsContact N-OE2 3.17Å; I126-E128 PolarHBondContact O-N 3.36Å; E128-L130 PolarHBondContact O-N 3.47Å; E128-F131 PolarHBondContact O-N 3.06Å; E128-F131 VanDerWaalsContact O-N 3.14Å; E128-I183 HydrophobicContact CB-CD1 4.43Å; E128-I183 HydrophobicContact CG-CD1 3.62Å
129S46.4Very low52.5Low41 Ų4157.7 Ų57.729%0.28732%0.315SS..G310 helixtrans-59.7-28171650000115.4P127 F131 K132 Y135P127-S129 WeakPolarHBondContact CB-OG 3.38Å; P127-S129 PolarHBondContact O-N 3.25Å; S129-F131 PolarHBondContact O-N 3.29Å; S129-F131 VanDerWaalsContact O-N 3.14Å; S129-K132 VanDerWaalsContact CA-CD 3.46Å; S129-K132 VanDerWaalsContact CA-CE 3.44Å; S129-K132 VanDerWaalsContact O-CB 3.28Å; S129-K132 WeakPolarHBondContact O-CB 3.4Å; S129-K132 PolarHBondContact O-N 3.24Å; S129-Y135 WeakPolarHBondContact O-CE2 3.33Å
130L52.5Low52.9Low9 Ų957 Ų575%0.04732%0.315CS..G310 helixtrans-72.41.3176.5-68170.2000113.2L110 I119 I126 P127 E128 Y135L110-L130 HydrophobicContact CD1-CD1 3.64Å; I119-L130 HydrophobicContact CD1-CD2 4.3Å; I126-L130 HydrophobicContact CB-CD1 4.37Å; I126-L130 HydrophobicContact CG2-CB 3.83Å; I126-L130 HydrophobicContact CG2-CD1 3.51Å; I126-L130 HydrophobicContact CG2-CG 4.26Å; P127-L130 WeakPolarHBondContact O-CB 2.93Å; P127-L130 PolarHBondContact O-N 2.9Å; E128-L130 PolarHBondContact O-N 3.47Å; L130-Y135 HydrophobicContact CD2-CD1 3.85Å; L130-Y135 HydrophobicContact CD2-CE1 3.45Å; L130-Y135 VanDerWaalsContact CD2-CE1 3.45Å; L130-Y135 WeakPolarHBondContact O-CB 3.45Å; L130-Y135 WeakPolarHBondContact O-CD2 3.22Å
131F55Low53.2Low35 Ų3560.4 Ų60.415%0.15433%0.333CS..G310 helixtrans-117.86.4169.2-56.6-84.8000111.9L102 I126 E128 S129 I183 F187L102-F131 HydrophobicContact CD2-CE2 3.94Å; L102-F131 HydrophobicContact CD2-CZ 3.72Å; I126-F131 HydrophobicContact CG2-CE2 3.57Å; I126-F131 HydrophobicContact CG2-CZ 4.08Å; E128-F131 PolarHBondContact O-N 3.06Å; E128-F131 VanDerWaalsContact O-N 3.14Å; S129-F131 PolarHBondContact O-N 3.29Å; S129-F131 VanDerWaalsContact O-N 3.14Å; F131-I183 HydrophobicContact CD1-CG2 4.31Å; F131-I183 HydrophobicContact CD2-CB 4.49Å; F131-I183 HydrophobicContact CD2-CG2 3.24Å; F131-I183 HydrophobicContact CE1-CG2 4.24Å; F131-I183 HydrophobicContact CE2-CG2 3.14Å; F131-I183 HydrophobicContact CG-CG2 3.84Å; F131-I183 HydrophobicContact CZ-CG2 3.69Å; F131-F187 HydrophobicContact CE1-CB 3.71Å; F131-F187 AromaticContact CE1-CD2 4Å; F131-F187 HydrophobicContact CE1-CD2 4Å; F131-F187 HydrophobicContact CE1-CG 4.32Å; F131-F187 HydrophobicContact CZ-CB 3.68Å; F131-F187 AromaticContact CZ-CD2 3.76Å; F131-F187 HydrophobicContact CZ-CD2 3.76Å; F131-F187 HydrophobicContact CZ-CG 4.04Å
132K52.2Low53.8Low82 Ų8259.7 Ų59.736%0.35734%0.342SS..SBendtrans-70.5-38.5-176.1-77.4174.9-167.9176.50113.8F56 S129F56-K132 HydrophobicContact CD2-CG 3.7Å; F56-K132 HydrophobicContact CE2-CB 4.44Å; F56-K132 HydrophobicContact CE2-CG 3.91Å; S129-K132 VanDerWaalsContact CA-CD 3.46Å; S129-K132 VanDerWaalsContact CA-CE 3.44Å; S129-K132 VanDerWaalsContact O-CB 3.28Å; S129-K132 WeakPolarHBondContact O-CB 3.4Å; S129-K132 PolarHBondContact O-N 3.24Å
133S47.8Very low55.2Low59 Ų5960 Ų6041%0.41334%0.343SS..SBendtrans-128.139.8-162.957.70000114L112 Y135L112-S133 WeakPolarHBondContact CD2-OG 3.39Å; S133-Y135 VanDerWaalsContact C-N 3.28Å; S133-Y135 PolarHBondContact O-N 3.29Å; S133-Y135 WeakPolarHBondContact OG-CD2 3.26Å; S133-Y135 WeakPolarHBondContact OG-CE2 3.41Å
134G48.2Very low56.9Low64 Ų6456.1 Ų56.166%0.6632%0.323SS*.  trans67.230.1179.300000113.3E136G134-E136 PolarHBondContact O-N 3.34Å
135Y53.9Low58.8Low42 Ų4254.4 Ų54.417%0.16531%0.312CS..  trans-52129.4174.5-70-102.8000109.8L112 S129 L130 S133L112-Y135 HydrophobicContact CD1-CE1 3.88Å; L112-Y135 HydrophobicContact CD2-CD1 3.47Å; L112-Y135 VanDerWaalsContact CD2-CD1 3.47Å; L112-Y135 HydrophobicContact CD2-CD2 4.06Å; L112-Y135 HydrophobicContact CD2-CE1 3.18Å; L112-Y135 HydrophobicContact CD2-CE2 3.8Å; L112-Y135 HydrophobicContact CD2-CG 3.9Å; L112-Y135 HydrophobicContact CG-CD1 3.68Å; L112-Y135 HydrophobicContact CG-CE1 3.29Å; S129-Y135 WeakPolarHBondContact O-CE2 3.33Å; L130-Y135 HydrophobicContact CD2-CD1 3.85Å; L130-Y135 HydrophobicContact CD2-CE1 3.45Å; L130-Y135 VanDerWaalsContact CD2-CE1 3.45Å; L130-Y135 WeakPolarHBondContact O-CB 3.45Å; L130-Y135 WeakPolarHBondContact O-CD2 3.22Å; S133-Y135 VanDerWaalsContact C-N 3.28Å; S133-Y135 PolarHBondContact O-N 3.29Å; S133-Y135 WeakPolarHBondContact OG-CD2 3.26Å; S133-Y135 WeakPolarHBondContact OG-CE2 3.41Å
136E55.4Low60.8Low97 Ų9752.7 Ų52.745%0.45329%0.294SS..EExtended strand (participates in β ladder)trans-89.7124168-75.4-155.217200108.2G134 I138 K194G134-E136 PolarHBondContact O-N 3.34Å; E136-I138 HydrophobicContact CB-CG1 4.07Å; E136-I138 PolarHBondContact O-N 2.7Å; E136-K194 IonicContact OE2-NZ 3.83Å; E136-K194 PolarHBondContact OE2-NZ 2.88Å
137V59.6Low62.7Low5 Ų552 Ų523%0.0329%0.291CS..EExtended strand (participates in β ladder)trans-65.9110.5164.2-175.50000106.3L110 I139 F187 I191 K194L110-V137 HydrophobicContact CD2-CB 4.28Å; L110-V137 HydrophobicContact CD2-CG1 3.8Å; L110-V137 HydrophobicContact CD2-CG2 4.17Å; V137-I139 HydrophobicContact CG1-CG1 4.26Å; V137-F187 HydrophobicContact CG1-CE2 3.95Å; V137-F187 HydrophobicContact CG2-CD2 3.62Å; V137-F187 HydrophobicContact CG2-CE2 3.79Å; V137-I191 HydrophobicContact CB-CG1 4.27Å; V137-I191 HydrophobicContact CG1-CD1 4Å; V137-I191 HydrophobicContact CG1-CG1 3.59Å; V137-K194 WeakPolarHBondContact O-CD 3.36Å; V137-K194 PolarHBondContact O-NZ 3.32Å
138I57.6Low65Low77 Ų7749.8 Ų49.840%0.39528%0.276SS..  trans-111.596176.5-58174.8000106.9Y109 E136 S140Y109-I138 CarbonylContact C-O 3.53Å; Y109-I138 CarbonylContact O-C 3.55Å; E136-I138 HydrophobicContact CB-CG1 4.07Å; E136-I138 PolarHBondContact O-N 2.7Å; I138-S140 PolarHBondContact O-N 2.8Å
139I59.8Low67.3Low11 Ų1148.1 Ų48.16%0.05627%0.268CS..  trans-70.7108.4172.6-52.5-175.3000107.1V137 L143 P144 I191 I198V137-I139 HydrophobicContact CG1-CG1 4.26Å; I139-L143 HydrophobicContact CB-CD2 3.91Å; I139-L143 HydrophobicContact CG2-CD2 3.72Å; I139-P144 HydrophobicContact CD1-CG 4.48Å; I139-P144 VanDerWaalsContact CG2-CD 3.49Å; I139-I191 HydrophobicContact CD1-CB 4.41Å; I139-I191 HydrophobicContact CD1-CD1 4.35Å; I139-I191 HydrophobicContact CD1-CG1 4.09Å; I139-I191 HydrophobicContact CD1-CG2 3.57Å; I139-I198 HydrophobicContact CD1-CD1 4.16Å
140S58.3Low69.7Low40 Ų4046.1 Ų46.128%0.2825%0.254SS..  trans-65.4-178.7179.8-165.40000112.7I138 C142I138-S140 PolarHBondContact O-N 2.8Å; S140-C142 CarbonylContact O-C 3.41Å; S140-C142 PolarHBondContact O-N 3.05Å
141E56.8Low71.8Confident188 Ų18846.5 Ų46.588%0.87926%0.256SS*.SBendtrans-33.1-28.3-170.7-63.9179.6169.300117.8
142C65.9Low73.6Confident85 Ų8546.5 Ų46.557%0.57426%0.256SS*.SBendtrans-107.486.9173.2-67.20000110.8S140S140-C142 CarbonylContact O-C 3.41Å; S140-C142 PolarHBondContact O-N 3.05Å
143L80.4Confident75.4Confident85 Ų8544.8 Ų44.845%0.44525%0.25SS..  trans-56.7132.7169.9-63.6175.4000109.7I139 Q145 I198I139-L143 HydrophobicContact CB-CD2 3.91Å; I139-L143 HydrophobicContact CG2-CD2 3.72Å; L143-Q145 PolarHBondContact O-N 2.82Å; L143-I198 HydrophobicContact CB-CD1 4.3Å; L143-I198 HydrophobicContact CD2-CD1 4.26Å
144P87.3Confident77.6Confident8 Ų846 Ų465%0.05226%0.256CS..  trans-63.8139.8176.327.4-33.3000109.5I139 F146 I147 L172 I198I139-P144 HydrophobicContact CD1-CG 4.48Å; I139-P144 VanDerWaalsContact CG2-CD 3.49Å; P144-F146 PolarHBondContact O-N 2.74Å; P144-I147 HydrophobicContact CG-CG1 4.36Å; P144-L172 HydrophobicContact CB-CB 4.48Å; P144-I198 HydrophobicContact CG-CD1 4.07Å; P144-I198 HydrophobicContact CG-CG2 4.25Å
145Q92.1Very high79.8Confident82 Ų8243.1 Ų43.138%0.38323%0.225SC..SBendtrans-63-27.2174.9-66.1178.283.500111.8L143 P170 P199 I327L143-Q145 PolarHBondContact O-N 2.82Å; Q145-P170 WeakPolarHBondContact CB-O 3.28Å; Q145-P170 HydrophobicContact CG-CG 4.21Å; Q145-P170 PolarHBondContact N-O 3.21Å; Q145-P199 VanDerWaalsContact O-CD 3.25Å; Q145-P199 WeakPolarHBondContact O-CD 3.35Å; Q145-I327 HydrophobicContact CB-CD1 3.88Å
146F94.8Very high81.7Confident0 Ų041.2 Ų41.20%022%0.217CC..  trans-162.9163.2175.465.4-82.1000111.3P144 L148 F164 F168 C171 L172 P199 I201 L321 L325 I327P144-F146 PolarHBondContact O-N 2.74Å; F146-L148 HydrophobicContact CD2-CB 4.12Å; F146-L148 HydrophobicContact CE2-CB 3.91Å; F146-F164 HydrophobicContact CZ-CE1 4.42Å; F146-F164 HydrophobicContact CZ-CZ 4.49Å; F146-F168 HydrophobicContact CE1-CB 4.04Å; F146-F168 HydrophobicContact CZ-CB 3.85Å; F146-F168 HydrophobicContact CZ-CG 4.38Å; F146-C171 HydrophobicContact CD1-CB 3.92Å; F146-C171 HydrophobicContact CD2-CB 4.33Å; F146-C171 HydrophobicContact CE1-CB 3.5Å; F146-C171 VanDerWaalsContact CE1-CB 3.5Å; F146-C171 HydrophobicContact CE2-CB 3.94Å; F146-C171 HydrophobicContact CG-CB 4.33Å; F146-C171 HydrophobicContact CZ-CB 3.52Å; F146-C171 WeakPolarHBondContact O-CA 3.39Å; F146-L172 PolarHBondContact O-N 3.42Å; F146-P199 CarbonylContact C-O 3.58Å; F146-P199 WeakPolarHBondContact CA-O 3.4Å; F146-P199 HydrophobicContact CB-CB 4.45Å; F146-I201 HydrophobicContact CD2-CD1 4.07Å; F146-I201 HydrophobicContact CD2-CG1 4.36Å; F146-L321 HydrophobicContact CD1-CD2 4.48Å; F146-L321 HydrophobicContact CD2-CD2 4.06Å; F146-L321 HydrophobicContact CE1-CD1 4.29Å; F146-L321 HydrophobicContact CE1-CD2 4.29Å; F146-L321 HydrophobicContact CE2-CD1 4.3Å; F146-L321 HydrophobicContact CE2-CD2 3.85Å; F146-L321 HydrophobicContact CG-CD2 4.37Å; F146-L321 HydrophobicContact CZ-CD1 3.78Å; F146-L321 HydrophobicContact CZ-CD2 3.96Å; F146-L325 HydrophobicContact CB-CD1 3.64Å; F146-L325 HydrophobicContact CG-CD1 4.12Å; F146-I327 HydrophobicContact CB-CD1 4.41Å; F146-I327 HydrophobicContact CD1-CD1 3.49Å; F146-I327 VanDerWaalsContact CD1-CD1 3.49Å; F146-I327 HydrophobicContact CE1-CD1 4.14Å; F146-I327 HydrophobicContact CE1-CG2 4.4Å; F146-I327 HydrophobicContact CG-CD1 4.3Å
147I94.7Very high83.4Confident0 Ų042 Ų420%022%0.216CC..EExtended strand (participates in β ladder)trans-116.1122.2171.2-55.6179.9000108.5P144 L172 V174 L188 I191 I198 P199 I200 I201P144-I147 HydrophobicContact CG-CG1 4.36Å; I147-L172 CarbonylContact C-O 3.59Å; I147-L172 WeakPolarHBondContact CA-O 3.48Å; I147-L172 HydrophobicContact CB-CB 4.32Å; I147-L172 HydrophobicContact CD1-CD2 4.2Å; I147-L172 HydrophobicContact CG1-CB 3.96Å; I147-L172 HydrophobicContact CG1-CD2 4.26Å; I147-L172 HydrophobicContact CG2-CB 4.14Å; I147-L172 HydrophobicContact CG2-CD2 4Å; I147-L172 HydrophobicContact CG2-CG 4.44Å; I147-V174 HydrophobicContact CG2-CG2 3.93Å; I147-L188 HydrophobicContact CG2-CD2 4.04Å; I147-I191 HydrophobicContact CD1-CB 4.47Å; I147-I191 HydrophobicContact CD1-CD1 4.31Å; I147-I191 HydrophobicContact CD1-CG2 3.53Å; I147-I198 HydrophobicContact CD1-CG2 4.12Å; I147-I198 HydrophobicContact CG1-CG2 3.84Å; I147-P199 PolarHBondContact N-O 3.01Å; I147-I200 HydrophobicContact CB-CG1 4.29Å; I147-I200 HydrophobicContact CB-CG2 4.24Å; I147-I200 HydrophobicContact CD1-CD1 4.44Å; I147-I200 HydrophobicContact CD1-CG1 4.29Å; I147-I200 HydrophobicContact CG2-CG2 4.31Å; I147-I200 WeakPolarHBondContact O-CA 3.33Å; I147-I201 WeakPolarHBondContact O-CG1 3.37Å; I147-I201 PolarHBondContact O-N 2.98Å
148L96.5Very high85Confident0 Ų043.5 Ų43.50%022%0.223CC..EExtended strand (participates in β ladder)trans-104.1109.6176.5178.261.7000110.4F146 I150 L159 F164 L172 L173 V174 I201 L203 L317F146-L148 HydrophobicContact CD2-CB 4.12Å; F146-L148 HydrophobicContact CE2-CB 3.91Å; L148-I150 HydrophobicContact CD2-CD1 4.22Å; L148-I150 HydrophobicContact CD2-CG1 4.27Å; L148-I150 HydrophobicContact CG-CD1 4.19Å; L148-I150 HydrophobicContact CG-CG1 3.98Å; L148-L159 HydrophobicContact CD2-CD1 4.38Å; L148-F164 HydrophobicContact CD2-CE1 3.76Å; L148-F164 HydrophobicContact CD2-CZ 3.97Å; L148-L172 PolarHBondContact N-O 2.97Å; L148-L173 HydrophobicContact CB-CD2 4Å; L148-L173 HydrophobicContact CD2-CD2 4.05Å; L148-L173 HydrophobicContact CG-CD2 4.46Å; L148-L173 WeakPolarHBondContact O-CA 3.45Å; L148-V174 PolarHBondContact O-N 2.75Å; L148-I201 WeakPolarHBondContact CA-O 3.42Å; L148-I201 HydrophobicContact CB-CG1 4.35Å; L148-I201 HydrophobicContact CD1-CD1 3.93Å; L148-I201 HydrophobicContact CD1-CG1 3.81Å; L148-L203 HydrophobicContact CD1-CB 4.14Å; L148-L317 HydrophobicContact CD2-CD1 4.38Å; L148-L317 HydrophobicContact CD2-CD2 4.39Å
149I97.4Very high86.8Confident0 Ų039.9 Ų39.90%020%0.204CC..EExtended strand (participates in β ladder)trans-83.5127171.3-57.7175.1000108.5V174 L188 I200 I201 G202 L203 F204 Y217 I236 L239I149-V174 CarbonylContact C-O 3.45Å; I149-V174 WeakPolarHBondContact CA-O 3.01Å; I149-L188 HydrophobicContact CD1-CD1 3.59Å; I149-L188 HydrophobicContact CD1-CD2 4.47Å; I149-L188 HydrophobicContact CG1-CD1 4.11Å; I149-I200 HydrophobicContact CD1-CG2 3.73Å; I149-I200 HydrophobicContact CG1-CG2 4.12Å; I149-I201 PolarHBondContact N-O 3.11Å; I149-G202 CarbonylContact O-C 3.45Å; I149-G202 WeakPolarHBondContact O-CA 3.38Å; I149-L203 PolarHBondContact O-N 3.29Å; I149-F204 HydrophobicContact CG2-CZ 4.26Å; I149-Y217 HydrophobicContact CD1-CD1 4.07Å; I149-Y217 HydrophobicContact CD1-CE1 4.17Å; I149-Y217 HydrophobicContact CD1-CG 4.48Å; I149-Y217 HydrophobicContact CG2-CD2 4.5Å; I149-Y217 HydrophobicContact CG2-CE1 4.12Å; I149-Y217 HydrophobicContact CG2-CE2 3.89Å; I149-I236 HydrophobicContact CD1-CD1 4.49Å; I149-L239 HydrophobicContact CD1-CD1 3.81Å; I149-L239 HydrophobicContact CD1-CD2 4.33Å
150I96.8Very high88.2Confident0 Ų040.4 Ų40.40%021%0.207CC..EExtended strand (participates in β ladder)trans-117.7122.9179.3-61.2140.5000108.2L148 K152 I155 F156 L159 L173 V174 T175L148-I150 HydrophobicContact CD2-CD1 4.22Å; L148-I150 HydrophobicContact CD2-CG1 4.27Å; L148-I150 HydrophobicContact CG-CD1 4.19Å; L148-I150 HydrophobicContact CG-CG1 3.98Å; I150-K152 WeakPolarHBondContact CG2-O 3.46Å; I150-I155 HydrophobicContact CG2-CB 3.96Å; I150-I155 HydrophobicContact CG2-CG2 3.8Å; I150-F156 HydrophobicContact CB-CB 4.41Å; I150-F156 HydrophobicContact CB-CD2 4.39Å; I150-F156 HydrophobicContact CD1-CB 4.48Å; I150-F156 HydrophobicContact CD1-CD2 3.63Å; I150-F156 HydrophobicContact CD1-CE2 4.38Å; I150-F156 HydrophobicContact CD1-CG 4.48Å; I150-F156 HydrophobicContact CG2-CB 4.06Å; I150-L159 HydrophobicContact CD1-CD1 3.59Å; I150-L159 HydrophobicContact CG1-CD1 4.04Å; I150-L173 HydrophobicContact CD1-CB 4.27Å; I150-V174 PolarHBondContact N-O 3.45Å; I150-T175 WeakPolarHBondContact O-CA 3.42Å; I150-T175 WeakPolarHBondContact O-CB 3.3Å; I150-T175 PolarHBondContact O-OG1 2.87Å
151E96.7Very high89.8Confident16 Ų1644.9 Ų44.98%0.07523%0.227CC..SBendtrans-60.2-54.2-179.3-174.7179.8174.400111.8T175 K177 G178 L203 F204 D205 G210 V213E151-T175 PolarHBondContact O-OG1 3.44Å; E151-K177 CarbonylContact O-C 3.5Å; E151-K177 WeakPolarHBondContact O-CA 3.4Å; E151-G178 PolarHBondContact O-N 2.86Å; E151-L203 PolarHBondContact N-O 3.14Å; E151-F204 HydrophobicContact CB-CD1 3.76Å; E151-F204 HydrophobicContact CB-CE1 4.41Å; E151-F204 HydrophobicContact CB-CG 4.47Å; E151-F204 HydrophobicContact CG-CD1 4.19Å; E151-F204 WeakPolarHBondContact OE2-CA 3.34Å; E151-F204 WeakPolarHBondContact OE2-CB 3.31Å; E151-D205 PolarHBondContact OE2-N 2.81Å; E151-G210 WeakPolarHBondContact OE2-CA 3.32Å; E151-V213 HydrophobicContact CG-CG1 4.36Å
152K92.7Very high91.6Very high36 Ų3637.5 Ų37.516%0.15719%0.193CC..  trans-95.8137.8-169.4-76.3177.9163162.20113.7I150 T154 I155 F156 D205 E302I150-K152 WeakPolarHBondContact CG2-O 3.46Å; K152-T154 VanDerWaalsContact C-N 3.32Å; K152-T154 PolarHBondContact O-N 3.5Å; K152-I155 HydrophobicContact CB-CB 4.27Å; K152-I155 HydrophobicContact CB-CG1 4.02Å; K152-I155 HydrophobicContact CD-CG1 4.43Å; K152-I155 PolarHBondContact O-N 3.08Å; K152-F156 WeakPolarHBondContact O-CB 3.46Å; K152-F156 PolarHBondContact O-N 3.11Å; K152-D205 WeakPolarHBondContact CE-OD2 3.49Å; K152-D205 IonicContact NZ-OD1 2.71Å; K152-D205 PolarHBondContact NZ-OD1 3.41Å; K152-D205 IonicContact NZ-OD2 2.56Å; K152-D205 PolarHBondContact NZ-OD2 3.28Å; K152-E302 WeakPolarHBondContact CD-OE1 3.43Å; K152-E302 IonicContact NZ-OE1 2.72Å; K152-E302 IonicContact NZ-OE2 2.84Å; K152-E302 PolarHBondContact NZ-OE2 2.92Å
153D91.3Very high92.8Very high45 Ų4540 Ų4024%0.24119%0.194CC..Hα-helixtrans-63.2-37.8174.9-16434000111.8I155 F156 R157 K177D153-I155 PolarHBondContact O-N 3.42Å; D153-F156 PolarHBondContact O-N 2.91Å; D153-R157 WeakPolarHBondContact O-CB 3.4Å; D153-R157 VanDerWaalsContact O-CG 3.22Å; D153-R157 WeakPolarHBondContact O-CG 3.4Å; D153-R157 PolarHBondContact O-N 2.94Å; D153-R157 IonicContact OD1-NE 3.01Å; D153-K177 HydrophobicContact CB-CB 4.32Å; D153-K177 HydrophobicContact CB-CD 3.87Å; D153-K177 HydrophobicContact CB-CG 3.85Å; D153-K177 VanDerWaalsContact CG-CE 3.43Å; D153-K177 WeakPolarHBondContact OD1-CE 3.27Å; D153-K177 IonicContact OD1-NZ 3.6Å; D153-K177 WeakPolarHBondContact OD2-CE 3.34Å; D153-K177 IonicContact OD2-NZ 3.83Å; D153-K177 PolarHBondContact OD2-NZ 3.44Å
154T93.2Very high93.4Very high86 Ų8636 Ų3653%0.52817%0.173SC..Hα-helixtrans-59.4-48.517847.60000111.5K152 R157 K158 E302K152-T154 VanDerWaalsContact C-N 3.32Å; K152-T154 PolarHBondContact O-N 3.5Å; T154-R157 PolarHBondContact O-N 3.46Å; T154-K158 WeakPolarHBondContact O-CB 3.12Å; T154-K158 PolarHBondContact O-N 3.36Å; T154-E302 PolarHBondContact OG1-OE1 3.16Å
155I95.4Very high93.5Very high2 Ų236.2 Ų36.21%0.0117%0.173CC..Hα-helixtrans-65.7-43.6176.3-60.2-60000111I150 K152 D153 R157 K158 L159 L203 L301 E302 L312I150-I155 HydrophobicContact CG2-CB 3.96Å; I150-I155 HydrophobicContact CG2-CG2 3.8Å; K152-I155 HydrophobicContact CB-CB 4.27Å; K152-I155 HydrophobicContact CB-CG1 4.02Å; K152-I155 HydrophobicContact CD-CG1 4.43Å; K152-I155 PolarHBondContact O-N 3.08Å; D153-I155 PolarHBondContact O-N 3.42Å; I155-R157 PolarHBondContact O-N 3.33Å; I155-K158 WeakPolarHBondContact O-CB 3.46Å; I155-K158 PolarHBondContact O-N 3.45Å; I155-L159 HydrophobicContact CG2-CD1 4.35Å; I155-L159 WeakPolarHBondContact O-CG 3.1Å; I155-L159 PolarHBondContact O-N 3.45Å; I155-L203 HydrophobicContact CG2-CD2 3.95Å; I155-L301 HydrophobicContact CD1-CB 3.95Å; I155-L301 HydrophobicContact CG1-CB 3.9Å; I155-L301 HydrophobicContact CG1-CD1 4.2Å; I155-E302 HydrophobicContact CD1-CG 4.06Å; I155-L312 HydrophobicContact CD1-CD2 4.22Å; I155-L312 HydrophobicContact CG2-CD2 3.61Å
156F93.5Very high93.4Very high2 Ų235.8 Ų35.81%0.00917%0.171CC..Hα-helixtrans-56.1-50.4176.2179.8-90.8000111.5I103 I150 K152 D153 K158 L159 L160 L173 T175I103-F156 HydrophobicContact CG2-CE1 3.64Å; I103-F156 HydrophobicContact CG2-CZ 3.73Å; I150-F156 HydrophobicContact CB-CB 4.41Å; I150-F156 HydrophobicContact CB-CD2 4.39Å; I150-F156 HydrophobicContact CD1-CB 4.48Å; I150-F156 HydrophobicContact CD1-CD2 3.63Å; I150-F156 HydrophobicContact CD1-CE2 4.38Å; I150-F156 HydrophobicContact CD1-CG 4.48Å; I150-F156 HydrophobicContact CG2-CB 4.06Å; K152-F156 WeakPolarHBondContact O-CB 3.46Å; K152-F156 PolarHBondContact O-N 3.11Å; D153-F156 PolarHBondContact O-N 2.91Å; F156-K158 VanDerWaalsContact C-N 3.34Å; F156-K158 PolarHBondContact O-N 2.95Å; F156-L159 PolarHBondContact O-N 3.01Å; F156-L160 HydrophobicContact CD1-CD1 4.06Å; F156-L160 HydrophobicContact CE1-CD1 3.51Å; F156-L160 HydrophobicContact CE1-CG 4.23Å; F156-L160 HydrophobicContact CZ-CD1 4.11Å; F156-L160 WeakPolarHBondContact O-CG 3.48Å; F156-L160 PolarHBondContact O-N 3.14Å; F156-L173 HydrophobicContact CD2-CB 4.44Å; F156-L173 HydrophobicContact CE2-CB 3.73Å; F156-L173 HydrophobicContact CZ-CB 4.49Å; F156-T175 HydrophobicContact CB-CG2 3.95Å; F156-T175 HydrophobicContact CD1-CG2 3.88Å; F156-T175 HydrophobicContact CD2-CG2 3.55Å; F156-T175 HydrophobicContact CE1-CG2 4.26Å; F156-T175 HydrophobicContact CE2-CG2 3.96Å; F156-T175 HydrophobicContact CG-CG2 3.52Å; F156-T175 HydrophobicContact CZ-CG2 4.3Å
157R91.4Very high93.3Very high113 Ų11338.9 Ų38.943%0.42619%0.185SC..Hα-helixtrans-63.1-38.9178-67.4-64.4179.7178.43.4112.6D153 T154 I155 L160 N161D153-R157 WeakPolarHBondContact O-CB 3.4Å; D153-R157 VanDerWaalsContact O-CG 3.22Å; D153-R157 WeakPolarHBondContact O-CG 3.4Å; D153-R157 PolarHBondContact O-N 2.94Å; D153-R157 IonicContact OD1-NE 3.01Å; T154-R157 PolarHBondContact O-N 3.46Å; I155-R157 PolarHBondContact O-N 3.33Å; R157-L160 PolarHBondContact O-N 3.49Å; R157-N161 VanDerWaalsContact O-CG 3.28Å; R157-N161 PolarHBondContact O-N 3.2Å
158K93.3Very high93.2Very high38 Ų3839 Ų3917%0.16519%0.185CC..Hα-helixtrans-58.8-48.8175.1-178.8-174.6171.972.40111.5T154 I155 F156 L160 N161 E162 N305 S309T154-K158 WeakPolarHBondContact O-CB 3.12Å; T154-K158 PolarHBondContact O-N 3.36Å; I155-K158 WeakPolarHBondContact O-CB 3.46Å; I155-K158 PolarHBondContact O-N 3.45Å; F156-K158 VanDerWaalsContact C-N 3.34Å; F156-K158 PolarHBondContact O-N 2.95Å; K158-L160 VanDerWaalsContact C-N 3.27Å; K158-L160 PolarHBondContact O-N 2.93Å; K158-N161 PolarHBondContact O-N 3.39Å; K158-N161 VanDerWaalsContact O-N 3.14Å; K158-E162 WeakPolarHBondContact CE-OE1 3.44Å; K158-E162 VanDerWaalsContact CG-OE1 3.22Å; K158-E162 WeakPolarHBondContact CG-OE1 3.42Å; K158-E162 IonicContact NZ-OE1 2.97Å; K158-E162 PolarHBondContact NZ-OE1 2.61Å; K158-E162 WeakPolarHBondContact O-CB 3.22Å; K158-E162 WeakPolarHBondContact O-CG 3.29Å; K158-E162 PolarHBondContact O-N 3.14Å; K158-N305 WeakPolarHBondContact CE-OD1 3.23Å; K158-N305 PolarHBondContact NZ-OD1 3.04Å; K158-S309 WeakPolarHBondContact CE-O 3.35Å; K158-S309 PolarHBondContact NZ-O 2.73Å
159L93.4Very high92.8Very high0 Ų043.8 Ų43.80%021%0.206CC..Hα-helixtrans-59.4-38.3178.4-67.8175.1000112.3L148 I150 I155 F156 K163 F164 L312 T313 L317L148-L159 HydrophobicContact CD2-CD1 4.38Å; I150-L159 HydrophobicContact CD1-CD1 3.59Å; I150-L159 HydrophobicContact CG1-CD1 4.04Å; I155-L159 HydrophobicContact CG2-CD1 4.35Å; I155-L159 WeakPolarHBondContact O-CG 3.1Å; I155-L159 PolarHBondContact O-N 3.45Å; F156-L159 PolarHBondContact O-N 3.01Å; L159-K163 PolarHBondContact O-N 2.87Å; L159-F164 HydrophobicContact CB-CB 3.97Å; L159-F164 HydrophobicContact CB-CG 4.42Å; L159-F164 HydrophobicContact CD2-CB 4.2Å; L159-F164 HydrophobicContact CD2-CD2 4.2Å; L159-F164 HydrophobicContact CD2-CG 4.15Å; L159-F164 WeakPolarHBondContact O-CB 3.44Å; L159-F164 PolarHBondContact O-N 3Å; L159-L312 HydrophobicContact CD2-CD2 4.28Å; L159-L312 HydrophobicContact CD2-CG 4.31Å; L159-T313 HydrophobicContact CD2-CG2 4.37Å; L159-T313 WeakPolarHBondContact CD2-OG1 3.44Å; L159-L317 HydrophobicContact CD1-CD1 3.99Å; L159-L317 HydrophobicContact CD2-CD1 3.49Å; L159-L317 VanDerWaalsContact CD2-CD1 3.49Å; L159-L317 HydrophobicContact CG-CD1 4.41Å
160L91Very high92.3Very high22 Ų2246 Ų4612%0.11522%0.22CC..Hα-helixtrans-65.7-46.3174.3-62.2-173.9000112.1Y105 F156 R157 K158 E162 K163 L173Y105-L160 HydrophobicContact CD1-CD2 3.71Å; Y105-L160 HydrophobicContact CD2-CD1 3.65Å; Y105-L160 HydrophobicContact CD2-CD2 3.43Å; Y105-L160 VanDerWaalsContact CD2-CD2 3.43Å; Y105-L160 HydrophobicContact CD2-CG 4.18Å; Y105-L160 HydrophobicContact CE1-CD2 3.99Å; Y105-L160 HydrophobicContact CE2-CD1 4.08Å; Y105-L160 HydrophobicContact CE2-CD2 3.65Å; Y105-L160 HydrophobicContact CE2-CG 4.4Å; Y105-L160 HydrophobicContact CG-CD1 4.3Å; Y105-L160 HydrophobicContact CG-CD2 3.45Å; Y105-L160 VanDerWaalsContact CG-CD2 3.45Å; F156-L160 HydrophobicContact CD1-CD1 4.06Å; F156-L160 HydrophobicContact CE1-CD1 3.51Å; F156-L160 HydrophobicContact CE1-CG 4.23Å; F156-L160 HydrophobicContact CZ-CD1 4.11Å; F156-L160 WeakPolarHBondContact O-CG 3.48Å; F156-L160 PolarHBondContact O-N 3.14Å; R157-L160 PolarHBondContact O-N 3.49Å; K158-L160 VanDerWaalsContact C-N 3.27Å; K158-L160 PolarHBondContact O-N 2.93Å; L160-E162 VanDerWaalsContact C-N 3.25Å; L160-E162 PolarHBondContact O-N 3.14Å; L160-K163 PolarHBondContact O-N 3.21Å; L160-K163 VanDerWaalsContact O-N 3.16Å; L160-L173 HydrophobicContact CD2-CD1 3.66Å
161N91.8Very high92Very high134 Ų13446.1 Ų46.172%0.71722%0.221SC*.Hα-helixtrans-63.1-33.6179.3-70.5-13.5000112.2R157 K158 K163R157-N161 VanDerWaalsContact O-CG 3.28Å; R157-N161 PolarHBondContact O-N 3.2Å; K158-N161 PolarHBondContact O-N 3.39Å; K158-N161 VanDerWaalsContact O-N 3.14Å; N161-K163 PolarHBondContact O-N 3.43Å
162E93.3Very high91.7Very high34 Ų3445.4 Ų45.416%0.15922%0.218CC..THydrogen-bonded Turntrans-88.313.1179.5-66.9176.7-16000113.7K158 L160 F164 T313K158-E162 WeakPolarHBondContact CE-OE1 3.44Å; K158-E162 VanDerWaalsContact CG-OE1 3.22Å; K158-E162 WeakPolarHBondContact CG-OE1 3.42Å; K158-E162 IonicContact NZ-OE1 2.97Å; K158-E162 PolarHBondContact NZ-OE1 2.61Å; K158-E162 WeakPolarHBondContact O-CB 3.22Å; K158-E162 WeakPolarHBondContact O-CG 3.29Å; K158-E162 PolarHBondContact O-N 3.14Å; L160-E162 VanDerWaalsContact C-N 3.25Å; L160-E162 PolarHBondContact O-N 3.14Å; E162-F164 VanDerWaalsContact C-N 3.27Å; E162-F164 PolarHBondContact O-N 3.43Å; E162-T313 HydrophobicContact CB-CG2 3.85Å; E162-T313 WeakPolarHBondContact OE2-CB 3.27Å; E162-T313 PolarHBondContact OE2-OG1 3.21Å
163K91.1Very high91.7Very high138 Ų13843.7 Ų43.760%0.621%0.21SC*.THydrogen-bonded Turntrans55.738.2175.9-56.4-177.8-179179.80113.5L159 L160 N161 Y165 E166 K167L159-K163 PolarHBondContact O-N 2.87Å; L160-K163 PolarHBondContact O-N 3.21Å; L160-K163 VanDerWaalsContact O-N 3.16Å; N161-K163 PolarHBondContact O-N 3.43Å; K163-Y165 VanDerWaalsContact C-N 3.3Å; K163-Y165 PolarHBondContact O-N 3.14Å; K163-E166 WeakPolarHBondContact CA-OE2 3.32Å; K163-E166 HydrophobicContact CB-CB 4.36Å; K163-E166 HydrophobicContact CB-CG 4.45Å; K163-E166 WeakPolarHBondContact CB-OE2 3.4Å; K163-E166 PolarHBondContact O-N 2.87Å; K163-K167 WeakPolarHBondContact O-CG 3.32Å; K163-K167 PolarHBondContact O-N 2.93Å
164F92.8Very high91.8Very high0 Ų041.6 Ų41.60%020%0.199CC..Hα-helixtrans-60.4-42.4178.2178.5-98.2000111.5F146 L148 L159 E162 E166 K167 F168 L173 T313 L317 L321F146-F164 HydrophobicContact CZ-CE1 4.42Å; F146-F164 HydrophobicContact CZ-CZ 4.49Å; L148-F164 HydrophobicContact CD2-CE1 3.76Å; L148-F164 HydrophobicContact CD2-CZ 3.97Å; L159-F164 HydrophobicContact CB-CB 3.97Å; L159-F164 HydrophobicContact CB-CG 4.42Å; L159-F164 HydrophobicContact CD2-CB 4.2Å; L159-F164 HydrophobicContact CD2-CD2 4.2Å; L159-F164 HydrophobicContact CD2-CG 4.15Å; L159-F164 WeakPolarHBondContact O-CB 3.44Å; L159-F164 PolarHBondContact O-N 3Å; E162-F164 VanDerWaalsContact C-N 3.27Å; E162-F164 PolarHBondContact O-N 3.43Å; F164-E166 VanDerWaalsContact C-N 3.33Å; F164-E166 PolarHBondContact O-N 2.91Å; F164-K167 WeakPolarHBondContact O-CB 3.13Å; F164-K167 PolarHBondContact O-N 3.15Å; F164-F168 HydrophobicContact CD1-CD2 4.45Å; F164-F168 AromaticContact CD2-CD2 3.69Å; F164-F168 HydrophobicContact CD2-CD2 3.69Å; F164-F168 AromaticContact CD2-CE2 3.83Å; F164-F168 HydrophobicContact CD2-CE2 3.83Å; F164-F168 HydrophobicContact CE1-CD2 4.18Å; F164-F168 AromaticContact CE2-CD2 3.37Å; F164-F168 HydrophobicContact CE2-CD2 3.37Å; F164-F168 AromaticContact CE2-CE2 3.43Å; F164-F168 HydrophobicContact CE2-CE2 3.43Å; F164-F168 VanDerWaalsContact CE2-CE2 3.43Å; F164-F168 HydrophobicContact CE2-CG 4.34Å; F164-F168 HydrophobicContact CE2-CZ 4.42Å; F164-F168 HydrophobicContact CG-CD2 4.24Å; F164-F168 AromaticContact CZ-CD2 3.66Å; F164-F168 HydrophobicContact CZ-CD2 3.66Å; F164-F168 HydrophobicContact CZ-CE2 4.09Å; F164-F168 HydrophobicContact CZ-CG 4.22Å; F164-F168 WeakPolarHBondContact O-CD2 3.45Å; F164-F168 PolarHBondContact O-N 3.24Å; F164-L173 HydrophobicContact CD1-CD1 4.21Å; F164-L173 HydrophobicContact CD1-CD2 3.87Å; F164-L173 HydrophobicContact CE1-CD2 3.77Å; F164-T313 HydrophobicContact CB-CG2 3.96Å; F164-T313 HydrophobicContact CD2-CG2 3.95Å; F164-T313 HydrophobicContact CG-CG2 4.45Å; F164-L317 HydrophobicContact CD2-CD1 4.21Å; F164-L317 HydrophobicContact CE2-CB 3.79Å; F164-L317 HydrophobicContact CE2-CD1 3.73Å; F164-L317 HydrophobicContact CE2-CG 4.39Å; F164-L317 HydrophobicContact CZ-CB 4.34Å; F164-L317 HydrophobicContact CZ-CD1 4.06Å; F164-L321 HydrophobicContact CE2-CD1 4.37Å; F164-L321 HydrophobicContact CZ-CD1 3.88Å
165Y90Very high91.8Very high12 Ų1237.5 Ų37.55%0.04717%0.174CC..Hα-helixtrans-60-44.4-179.3174.8-100.8000112Y105 D107 K163 K167 F168 K169 C171Y105-Y165 HydrophobicContact CD1-CD1 4.42Å; Y105-Y165 AromaticContact CD1-CD2 3.89Å; Y105-Y165 HydrophobicContact CD1-CD2 3.89Å; Y105-Y165 HydrophobicContact CD1-CE2 4.46Å; Y105-Y165 AromaticContact CD1-CG 3.87Å; Y105-Y165 HydrophobicContact CD1-CG 3.87Å; Y105-Y165 AromaticContact CE1-CD1 3.54Å; Y105-Y165 HydrophobicContact CE1-CD1 3.54Å; Y105-Y165 AromaticContact CE1-CD2 3.82Å; Y105-Y165 HydrophobicContact CE1-CD2 3.82Å; Y105-Y165 HydrophobicContact CE1-CE1 4.13Å; Y105-Y165 HydrophobicContact CE1-CE2 4.41Å; Y105-Y165 AromaticContact CE1-CG 3.34Å; Y105-Y165 HydrophobicContact CE1-CG 3.34Å; D107-Y165 PolarHBondContact N-OH 3.21Å; D107-Y165 PolarHBondContact OD2-OH 3.35Å; K163-Y165 VanDerWaalsContact C-N 3.3Å; K163-Y165 PolarHBondContact O-N 3.14Å; Y165-K167 PolarHBondContact O-N 3.34Å; Y165-F168 CarbonylContact O-C 3.57Å; Y165-F168 PolarHBondContact O-N 2.99Å; Y165-K169 HydrophobicContact CD1-CB 4.37Å; Y165-K169 HydrophobicContact CE1-CB 3.96Å; Y165-K169 HydrophobicContact CE1-CD 4.24Å; Y165-K169 HydrophobicContact CE2-CB 4.11Å; Y165-K169 WeakPolarHBondContact O-CB 3.37Å; Y165-K169 PolarHBondContact O-N 3.15Å; Y165-C171 WeakPolarHBondContact CE2-O 3.35Å
166E89.8Confident91.5Very high73 Ų7337.4 Ų37.434%0.34117%0.173SC..Hα-helixtrans-61.1-35.7-179.3-68.269.9-160.100111.6K163 F164 N330K163-E166 WeakPolarHBondContact CA-OE2 3.32Å; K163-E166 HydrophobicContact CB-CB 4.36Å; K163-E166 HydrophobicContact CB-CG 4.45Å; K163-E166 WeakPolarHBondContact CB-OE2 3.4Å; K163-E166 PolarHBondContact O-N 2.87Å; F164-E166 VanDerWaalsContact C-N 3.33Å; F164-E166 PolarHBondContact O-N 2.91Å; E166-N330 PolarHBondContact O-ND2 3.4Å
167K92.4Very high91.4Very high66 Ų6641.7 Ų41.729%0.28719%0.192SC..Hα-helixtrans-71.1-25.6175.9-67170.8-180165.20113.4K163 F164 Y165 N314 P329 N330K163-K167 WeakPolarHBondContact O-CG 3.32Å; K163-K167 PolarHBondContact O-N 2.93Å; F164-K167 WeakPolarHBondContact O-CB 3.13Å; F164-K167 PolarHBondContact O-N 3.15Å; Y165-K167 PolarHBondContact O-N 3.34Å; K167-N314 PolarHBondContact NZ-OD1 2.68Å; K167-P329 HydrophobicContact CB-CB 4.45Å; K167-P329 CarbonylContact O-C 3.41Å; K167-P329 WeakPolarHBondContact O-CA 3.43Å; K167-N330 WeakPolarHBondContact O-CB 3.32Å; K167-N330 PolarHBondContact O-N 2.92Å; K167-N330 PolarHBondContact O-ND2 2.96Å
168F93Very high91.4Very high1 Ų137 Ų370%0.00418%0.179CC..Hα-helixtrans-126.14.5-171.3-70.9-77.6000115F146 F164 Y165 P318 L321 I327 P329F146-F168 HydrophobicContact CE1-CB 4.04Å; F146-F168 HydrophobicContact CZ-CB 3.85Å; F146-F168 HydrophobicContact CZ-CG 4.38Å; F164-F168 HydrophobicContact CD1-CD2 4.45Å; F164-F168 AromaticContact CD2-CD2 3.69Å; F164-F168 HydrophobicContact CD2-CD2 3.69Å; F164-F168 AromaticContact CD2-CE2 3.83Å; F164-F168 HydrophobicContact CD2-CE2 3.83Å; F164-F168 HydrophobicContact CE1-CD2 4.18Å; F164-F168 AromaticContact CE2-CD2 3.37Å; F164-F168 HydrophobicContact CE2-CD2 3.37Å; F164-F168 AromaticContact CE2-CE2 3.43Å; F164-F168 HydrophobicContact CE2-CE2 3.43Å; F164-F168 VanDerWaalsContact CE2-CE2 3.43Å; F164-F168 HydrophobicContact CE2-CG 4.34Å; F164-F168 HydrophobicContact CE2-CZ 4.42Å; F164-F168 HydrophobicContact CG-CD2 4.24Å; F164-F168 AromaticContact CZ-CD2 3.66Å; F164-F168 HydrophobicContact CZ-CD2 3.66Å; F164-F168 HydrophobicContact CZ-CE2 4.09Å; F164-F168 HydrophobicContact CZ-CG 4.22Å; F164-F168 WeakPolarHBondContact O-CD2 3.45Å; F164-F168 PolarHBondContact O-N 3.24Å; Y165-F168 CarbonylContact O-C 3.57Å; Y165-F168 PolarHBondContact O-N 2.99Å; F168-P318 HydrophobicContact CE2-CG 4.1Å; F168-P318 HydrophobicContact CZ-CB 3.91Å; F168-P318 HydrophobicContact CZ-CG 3.77Å; F168-L321 HydrophobicContact CD1-CD1 3.54Å; F168-L321 HydrophobicContact CD2-CD1 4.27Å; F168-L321 HydrophobicContact CE1-CD1 3.49Å; F168-L321 VanDerWaalsContact CE1-CD1 3.49Å; F168-L321 HydrophobicContact CE2-CD1 4.24Å; F168-L321 HydrophobicContact CG-CD1 3.94Å; F168-L321 HydrophobicContact CZ-CD1 3.87Å; F168-I327 HydrophobicContact CD1-CG2 4.04Å; F168-I327 HydrophobicContact CE1-CG2 4.48Å; F168-P329 HydrophobicContact CE1-CB 4.02Å; F168-P329 HydrophobicContact CE2-CB 4.37Å; F168-P329 HydrophobicContact CZ-CB 3.82Å; F168-P329 HydrophobicContact CZ-CG 4.44Å
169K87.6Confident91.4Very high101 Ų10139.1 Ų39.144%0.43919%0.186SC..  trans-59.9146.8177.263.9178.4-178175.70111.2Y165 N330Y165-K169 HydrophobicContact CD1-CB 4.37Å; Y165-K169 HydrophobicContact CE1-CB 3.96Å; Y165-K169 HydrophobicContact CE1-CD 4.24Å; Y165-K169 HydrophobicContact CE2-CB 4.11Å; Y165-K169 WeakPolarHBondContact O-CB 3.37Å; Y165-K169 PolarHBondContact O-N 3.15Å; K169-N330 PolarHBondContact O-ND2 2.63Å
170P88.4Confident91.3Very high46 Ų4639.3 Ų39.330%0.29919%0.187SC..SBendcis-76.7126.1-3.929.7-33.9000111.7Q145Q145-P170 WeakPolarHBondContact CB-O 3.28Å; Q145-P170 HydrophobicContact CG-CG 4.21Å; Q145-P170 PolarHBondContact N-O 3.21Å
171C90.5Very high91Very high4 Ų438.9 Ų38.93%0.02719%0.185CC..  trans-148.617117568.50000110F146 Y165F146-C171 HydrophobicContact CD1-CB 3.92Å; F146-C171 HydrophobicContact CD2-CB 4.33Å; F146-C171 HydrophobicContact CE1-CB 3.5Å; F146-C171 VanDerWaalsContact CE1-CB 3.5Å; F146-C171 HydrophobicContact CE2-CB 3.94Å; F146-C171 HydrophobicContact CG-CB 4.33Å; F146-C171 HydrophobicContact CZ-CB 3.52Å; F146-C171 WeakPolarHBondContact O-CA 3.39Å; Y165-C171 WeakPolarHBondContact CE2-O 3.35Å
172L90.5Very high90.5Very high1 Ų133.3 Ų33.31%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-123.7129.4173.7-167.566.9000111.4V104 I108 P144 F146 I147 L148 V174 F187 I191V104-L172 HydrophobicContact CG1-CD1 3.31Å; V104-L172 HydrophobicContact CG1-CD2 3.99Å; V104-L172 HydrophobicContact CG1-CG 3.8Å; I108-L172 HydrophobicContact CD1-CD1 3.22Å; I108-L172 HydrophobicContact CD1-CD2 3.28Å; I108-L172 HydrophobicContact CD1-CG 3.76Å; I108-L172 HydrophobicContact CG1-CD1 3.53Å; I108-L172 HydrophobicContact CG1-CD2 4.47Å; P144-L172 HydrophobicContact CB-CB 4.48Å; F146-L172 PolarHBondContact O-N 3.42Å; I147-L172 CarbonylContact C-O 3.59Å; I147-L172 WeakPolarHBondContact CA-O 3.48Å; I147-L172 HydrophobicContact CB-CB 4.32Å; I147-L172 HydrophobicContact CD1-CD2 4.2Å; I147-L172 HydrophobicContact CG1-CB 3.96Å; I147-L172 HydrophobicContact CG1-CD2 4.26Å; I147-L172 HydrophobicContact CG2-CB 4.14Å; I147-L172 HydrophobicContact CG2-CD2 4Å; I147-L172 HydrophobicContact CG2-CG 4.44Å; L148-L172 PolarHBondContact N-O 2.97Å; L172-V174 HydrophobicContact CD2-CG2 3.57Å; L172-V174 HydrophobicContact CG-CG2 3.81Å; L172-F187 HydrophobicContact CD2-CE1 4.14Å; L172-F187 HydrophobicContact CD2-CZ 4.33Å; L172-I191 HydrophobicContact CD2-CD1 4.31Å
173L92.4Very high89.9Confident0 Ų032.1 Ų32.10%015%0.15CC..EExtended strand (participates in β ladder)trans-103.9128.8172.4-47.7-179.6000109V104 Y105 L148 I150 F156 L160 F164V104-L173 CarbonylContact C-O 3.43Å; V104-L173 WeakPolarHBondContact CA-O 3.42Å; Y105-L173 HydrophobicContact CD1-CD1 4.31Å; Y105-L173 PolarHBondContact N-O 3.03Å; Y105-L173 PolarHBondContact O-N 3.04Å; L148-L173 HydrophobicContact CB-CD2 4Å; L148-L173 HydrophobicContact CD2-CD2 4.05Å; L148-L173 HydrophobicContact CG-CD2 4.46Å; L148-L173 WeakPolarHBondContact O-CA 3.45Å; I150-L173 HydrophobicContact CD1-CB 4.27Å; F156-L173 HydrophobicContact CD2-CB 4.44Å; F156-L173 HydrophobicContact CE2-CB 3.73Å; F156-L173 HydrophobicContact CZ-CB 4.49Å; L160-L173 HydrophobicContact CD2-CD1 3.66Å; F164-L173 HydrophobicContact CD1-CD1 4.21Å; F164-L173 HydrophobicContact CD1-CD2 3.87Å; F164-L173 HydrophobicContact CE1-CD2 3.77Å
174V92.7Very high89.7Confident0 Ų025.6 Ų25.60%012%0.122CC..EExtended strand (participates in β ladder)trans-131.3136.1-176.4-178.30000110.1L102 I103 V104 I147 L148 I149 I150 L172 F187 L188L102-V174 HydrophobicContact CD1-CG1 3.64Å; I103-V174 CarbonylContact O-C 3.5Å; I103-V174 WeakPolarHBondContact O-CA 3.46Å; V104-V174 HydrophobicContact CG1-CG2 4.35Å; V104-V174 HydrophobicContact CG2-CG1 4.28Å; V104-V174 HydrophobicContact CG2-CG2 4.15Å; I147-V174 HydrophobicContact CG2-CG2 3.93Å; L148-V174 PolarHBondContact O-N 2.75Å; I149-V174 CarbonylContact C-O 3.45Å; I149-V174 WeakPolarHBondContact CA-O 3.01Å; I150-V174 PolarHBondContact N-O 3.45Å; L172-V174 HydrophobicContact CD2-CG2 3.57Å; L172-V174 HydrophobicContact CG-CG2 3.81Å; V174-F187 HydrophobicContact CG2-CE1 4.43Å; V174-L188 HydrophobicContact CG1-CD1 4.39Å; V174-L188 HydrophobicContact CG1-CD2 4.34Å; V174-L188 HydrophobicContact CG2-CD2 4.2Å
175T92.9Very high89.6Confident0 Ų025.6 Ų25.60%012%0.122CC..EExtended strand (participates in β ladder)trans-139.6147.4169.3-173.50000111.9I103 I150 E151 F156 K177I103-T175 HydrophobicContact CB-CG2 3.8Å; I103-T175 HydrophobicContact CG1-CG2 4.48Å; I103-T175 HydrophobicContact CG2-CG2 4.46Å; I103-T175 PolarHBondContact N-O 3.44Å; I103-T175 PolarHBondContact O-N 3.06Å; I150-T175 WeakPolarHBondContact O-CA 3.42Å; I150-T175 WeakPolarHBondContact O-CB 3.3Å; I150-T175 PolarHBondContact O-OG1 2.87Å; E151-T175 PolarHBondContact O-OG1 3.44Å; F156-T175 HydrophobicContact CB-CG2 3.95Å; F156-T175 HydrophobicContact CD1-CG2 3.88Å; F156-T175 HydrophobicContact CD2-CG2 3.55Å; F156-T175 HydrophobicContact CE1-CG2 4.26Å; F156-T175 HydrophobicContact CE2-CG2 3.96Å; F156-T175 HydrophobicContact CG-CG2 3.52Å; F156-T175 HydrophobicContact CZ-CG2 4.3Å; T175-K177 PolarHBondContact OG1-N 2.74Å; T175-K177 VanDerWaalsContact OG1-N 3.12Å
176A90.6Very high89.4Confident0 Ų027.7 Ų27.70%013%0.131CC..  trans-114.910.2168.600000112.8K101 P180 T184 Y217K101-A176 HydrophobicContact CB-CB 4.49Å; K101-A176 WeakPolarHBondContact CB-O 3.32Å; K101-A176 VanDerWaalsContact CD-O 3.26Å; K101-A176 WeakPolarHBondContact CD-O 3.23Å; A176-P180 HydrophobicContact CB-CB 4.27Å; A176-T184 HydrophobicContact CB-CG2 4.1Å; A176-Y217 WeakPolarHBondContact CB-OH 3.37Å
177K90.5Very high89.2Confident93 Ų9324.2 Ų24.240%0.40412%0.115SC..SBendtrans55.153.3-178.6-42.8-169.6179.4-1580112.4E151 D153 T175E151-K177 CarbonylContact O-C 3.5Å; E151-K177 WeakPolarHBondContact O-CA 3.4Å; D153-K177 HydrophobicContact CB-CB 4.32Å; D153-K177 HydrophobicContact CB-CD 3.87Å; D153-K177 HydrophobicContact CB-CG 3.85Å; D153-K177 VanDerWaalsContact CG-CE 3.43Å; D153-K177 WeakPolarHBondContact OD1-CE 3.27Å; D153-K177 IonicContact OD1-NZ 3.6Å; D153-K177 WeakPolarHBondContact OD2-CE 3.34Å; D153-K177 IonicContact OD2-NZ 3.83Å; D153-K177 PolarHBondContact OD2-NZ 3.44Å; T175-K177 PolarHBondContact OG1-N 2.74Å; T175-K177 VanDerWaalsContact OG1-N 3.12Å
178G92.2Very high89.1Confident14 Ų1421.1 Ų21.114%0.14410%0.101CC..SBendtrans107.6-136-17600000112.4E151E151-G178 PolarHBondContact O-N 2.86Å
179Y92.2Very high88.9Confident83 Ų8322 Ų2233%0.32511%0.109SC..SBendtrans-57.8127.2179.1-75.5-85000111.9H209 N212 V213Y179-H209 PolarHBondContact OH-ND1 3.13Å; Y179-H209 PolarHBondContact OH-O 2.89Å; Y179-N212 WeakPolarHBondContact CE1-ND2 3.26Å; Y179-N212 PolarHBondContact OH-ND2 3.03Å; Y179-V213 HydrophobicContact CD1-CB 4.5Å; Y179-V213 HydrophobicContact CD1-CG2 3.76Å; Y179-V213 HydrophobicContact CD2-CG2 3.85Å; Y179-V213 HydrophobicContact CE1-CB 4.39Å; Y179-V213 HydrophobicContact CE1-CG2 3.63Å; Y179-V213 HydrophobicContact CE2-CG2 3.72Å; Y179-V213 HydrophobicContact CG-CG2 3.85Å
180P91.3Very high88.8Confident3 Ų320.6 Ų20.62%0.01910%0.104CC..  trans-68.1142.5-178.926.8-34.1000112.2A176 T184 R185 T216 Y217 M226A176-P180 HydrophobicContact CB-CB 4.27Å; P180-T184 HydrophobicContact CB-CG2 4.17Å; P180-R185 HydrophobicContact CB-CG 3.91Å; P180-R185 HydrophobicContact CG-CG 4.02Å; P180-T216 HydrophobicContact CG-CG2 3.96Å; P180-Y217 HydrophobicContact CB-CD1 4.08Å; P180-Y217 HydrophobicContact CB-CD2 4.42Å; P180-Y217 HydrophobicContact CB-CE1 3.52Å; P180-Y217 HydrophobicContact CB-CE2 3.88Å; P180-Y217 VanDerWaalsContact CB-CZ 3.41Å; P180-Y217 HydrophobicContact CG-CD1 3.95Å; P180-Y217 HydrophobicContact CG-CD2 3.73Å; P180-Y217 HydrophobicContact CG-CE1 3.84Å; P180-Y217 HydrophobicContact CG-CE2 3.58Å; P180-Y217 HydrophobicContact CG-CG 3.91Å; P180-M226 WeakPolarHBondContact O-CE 3.49Å
181D84.8Confident88.8Confident13 Ų1318.4 Ų18.47%0.079%0.09CC..  trans-80178.9168.160.711.8000111.6S100 K101 I183 T184 R185S100-D181 VanDerWaalsContact CA-OD2 3.22Å; S100-D181 WeakPolarHBondContact CA-OD2 3.38Å; K101-D181 PolarHBondContact N-OD2 2.61Å; D181-I183 VanDerWaalsContact C-N 3.29Å; D181-I183 PolarHBondContact O-N 3.01Å; D181-I183 PolarHBondContact OD1-N 3.18Å; D181-T184 WeakPolarHBondContact OD1-CA 3.04Å; D181-T184 WeakPolarHBondContact OD1-CB 3.34Å; D181-T184 PolarHBondContact OD1-N 3.08Å; D181-T184 PolarHBondContact OD1-OG1 3.08Å; D181-R185 PolarHBondContact O-N 3.34Å
182L81.9Confident88.8Confident18 Ų1819.2 Ų19.29%0.0949%0.094CC..Hα-helixtrans-62.3-40.5177.8-177.265.8000111.5R185 K186 I234L182-R185 PolarHBondContact O-N 3.47Å; L182-K186 HydrophobicContact CG-CD 4.47Å; L182-K186 WeakPolarHBondContact O-CB 3.46Å; L182-K186 PolarHBondContact O-N 3.1Å; L182-I234 HydrophobicContact CD1-CD1 3.49Å; L182-I234 VanDerWaalsContact CD1-CD1 3.49Å; L182-I234 HydrophobicContact CD1-CG1 4.34Å
183I80.7Confident88.7Confident9 Ų924.2 Ų24.25%0.04613%0.128CC..Hα-helixtrans-64.2-49-176.8-70.7165.4000111.1L102 E128 F131 D181 R185 K186 F187L102-I183 HydrophobicContact CD2-CG2 4.25Å; E128-I183 HydrophobicContact CB-CD1 4.43Å; E128-I183 HydrophobicContact CG-CD1 3.62Å; F131-I183 HydrophobicContact CD1-CG2 4.31Å; F131-I183 HydrophobicContact CD2-CB 4.49Å; F131-I183 HydrophobicContact CD2-CG2 3.24Å; F131-I183 HydrophobicContact CE1-CG2 4.24Å; F131-I183 HydrophobicContact CE2-CG2 3.14Å; F131-I183 HydrophobicContact CG-CG2 3.84Å; F131-I183 HydrophobicContact CZ-CG2 3.69Å; D181-I183 VanDerWaalsContact C-N 3.29Å; D181-I183 PolarHBondContact O-N 3.01Å; D181-I183 PolarHBondContact OD1-N 3.18Å; I183-R185 VanDerWaalsContact C-N 3.31Å; I183-R185 PolarHBondContact O-N 3.4Å; I183-K186 PolarHBondContact O-N 3.14Å; I183-F187 WeakPolarHBondContact O-CB 3.39Å; I183-F187 PolarHBondContact O-N 3Å
184T87.2Confident88.3Confident0 Ų028.2 Ų28.20%015%0.145CC..Hα-helixtrans-57.4-44.7177.2-58.60000111.3L102 A176 P180 D181 F187 L188 Y217L102-T184 HydrophobicContact CD1-CG2 3.9Å; A176-T184 HydrophobicContact CB-CG2 4.1Å; P180-T184 HydrophobicContact CB-CG2 4.17Å; D181-T184 WeakPolarHBondContact OD1-CA 3.04Å; D181-T184 WeakPolarHBondContact OD1-CB 3.34Å; D181-T184 PolarHBondContact OD1-N 3.08Å; D181-T184 PolarHBondContact OD1-OG1 3.08Å; T184-F187 PolarHBondContact O-N 3.11Å; T184-L188 HydrophobicContact CG2-CD1 3.99Å; T184-L188 WeakPolarHBondContact O-CG 3.46Å; T184-L188 PolarHBondContact O-N 2.95Å; T184-L188 VanDerWaalsContact O-N 3.1Å; T184-Y217 HydrophobicContact CG2-CE1 3.75Å
185R90.2Very high88.1Confident0 Ų030.5 Ų30.50%016%0.156CC..Hα-helixtrans-69.9-39.8178.5-73.6-175.8-59.612714.6112.2P180 D181 L182 I183 F187 L188 A189 T216 Y217 M226 I234P180-R185 HydrophobicContact CB-CG 3.91Å; P180-R185 HydrophobicContact CG-CG 4.02Å; D181-R185 PolarHBondContact O-N 3.34Å; L182-R185 PolarHBondContact O-N 3.47Å; I183-R185 VanDerWaalsContact C-N 3.31Å; I183-R185 PolarHBondContact O-N 3.4Å; R185-F187 VanDerWaalsContact C-N 3.35Å; R185-L188 PolarHBondContact O-N 2.78Å; R185-A189 WeakPolarHBondContact O-CB 3.35Å; R185-A189 PolarHBondContact O-N 3.44Å; R185-T216 WeakPolarHBondContact CD-O 3.35Å; R185-Y217 HydrophobicContact CG-CD1 4.24Å; R185-M226 PolarHBondContact NH1-O 3.45Å; R185-M226 PolarHBondContact NH2-O 3.45Å; R185-I234 HydrophobicContact CB-CB 4.24Å; R185-I234 HydrophobicContact CB-CG2 3.87Å; R185-I234 PolarHBondContact NH1-O 2.96Å
186K85.3Confident88Confident57 Ų5734.3 Ų34.325%0.24818%0.18CC..Hα-helixtrans-57.3-49.3173.4-84-168.6169.7-158.80110.5L182 I183 L188 A189 Q190 E229 I234L182-K186 HydrophobicContact CG-CD 4.47Å; L182-K186 WeakPolarHBondContact O-CB 3.46Å; L182-K186 PolarHBondContact O-N 3.1Å; I183-K186 PolarHBondContact O-N 3.14Å; K186-L188 PolarHBondContact O-N 2.93Å; K186-A189 PolarHBondContact O-N 2.83Å; K186-Q190 WeakPolarHBondContact O-CB 3.22Å; K186-Q190 VanDerWaalsContact O-CG 3.29Å; K186-Q190 WeakPolarHBondContact O-CG 3.42Å; K186-Q190 PolarHBondContact O-N 3.5Å; K186-E229 IonicContact NZ-OE1 2.76Å; K186-E229 PolarHBondContact NZ-OE1 3.13Å; K186-I234 HydrophobicContact CD-CD1 4.23Å; K186-I234 HydrophobicContact CG-CD1 3.36Å
187F85.5Confident88Confident0 Ų041.7 Ų41.70%022%0.22CC..Hα-helixtrans-54.3-55178.1176.8-106.6000112.6L102 V104 I108 L110 I126 F131 V137 L172 V174 I183 T184 R185 Q190 I191L102-F187 HydrophobicContact CD1-CD1 4.4Å; L102-F187 HydrophobicContact CD2-CB 3.91Å; L102-F187 HydrophobicContact CD2-CD1 4.04Å; L102-F187 HydrophobicContact CD2-CD2 4.4Å; L102-F187 HydrophobicContact CD2-CG 3.86Å; V104-F187 HydrophobicContact CG1-CE1 4.49Å; V104-F187 HydrophobicContact CG1-CZ 4.35Å; V104-F187 HydrophobicContact CG2-CD1 4.42Å; V104-F187 HydrophobicContact CG2-CE1 3.77Å; V104-F187 HydrophobicContact CG2-CZ 4.08Å; I108-F187 HydrophobicContact CD1-CZ 4.22Å; L110-F187 HydrophobicContact CD2-CE2 4.1Å; I126-F187 HydrophobicContact CD1-CD2 4.35Å; I126-F187 HydrophobicContact CD1-CE2 3.84Å; I126-F187 HydrophobicContact CD1-CZ 3.93Å; F131-F187 HydrophobicContact CE1-CB 3.71Å; F131-F187 AromaticContact CE1-CD2 4Å; F131-F187 HydrophobicContact CE1-CD2 4Å; F131-F187 HydrophobicContact CE1-CG 4.32Å; F131-F187 HydrophobicContact CZ-CB 3.68Å; F131-F187 AromaticContact CZ-CD2 3.76Å; F131-F187 HydrophobicContact CZ-CD2 3.76Å; F131-F187 HydrophobicContact CZ-CG 4.04Å; V137-F187 HydrophobicContact CG1-CE2 3.95Å; V137-F187 HydrophobicContact CG2-CD2 3.62Å; V137-F187 HydrophobicContact CG2-CE2 3.79Å; L172-F187 HydrophobicContact CD2-CE1 4.14Å; L172-F187 HydrophobicContact CD2-CZ 4.33Å; V174-F187 HydrophobicContact CG2-CE1 4.43Å; I183-F187 WeakPolarHBondContact O-CB 3.39Å; I183-F187 PolarHBondContact O-N 3Å; T184-F187 PolarHBondContact O-N 3.11Å; R185-F187 VanDerWaalsContact C-N 3.35Å; F187-Q190 PolarHBondContact O-N 2.98Å; F187-I191 HydrophobicContact CD1-CD1 4.09Å; F187-I191 HydrophobicContact CD2-CD1 4.46Å; F187-I191 HydrophobicContact CE1-CD1 3.53Å; F187-I191 HydrophobicContact CE2-CD1 3.95Å; F187-I191 HydrophobicContact CZ-CD1 3.47Å; F187-I191 VanDerWaalsContact CZ-CD1 3.47Å; F187-I191 WeakPolarHBondContact O-CG1 3.18Å; F187-I191 PolarHBondContact O-N 3.32Å; F187-I191 VanDerWaalsContact O-N 3.13Å
188L90.4Very high88.1Confident0 Ų037.8 Ų37.80%020%0.203CC..Hα-helixtrans-68.6-37.2-178.4-69.9167.2000112.5I147 I149 V174 T184 R185 K186 I191 N192 Y217 I236I147-L188 HydrophobicContact CG2-CD2 4.04Å; I149-L188 HydrophobicContact CD1-CD1 3.59Å; I149-L188 HydrophobicContact CD1-CD2 4.47Å; I149-L188 HydrophobicContact CG1-CD1 4.11Å; V174-L188 HydrophobicContact CG1-CD1 4.39Å; V174-L188 HydrophobicContact CG1-CD2 4.34Å; V174-L188 HydrophobicContact CG2-CD2 4.2Å; T184-L188 HydrophobicContact CG2-CD1 3.99Å; T184-L188 WeakPolarHBondContact O-CG 3.46Å; T184-L188 PolarHBondContact O-N 2.95Å; T184-L188 VanDerWaalsContact O-N 3.1Å; R185-L188 PolarHBondContact O-N 2.78Å; K186-L188 PolarHBondContact O-N 2.93Å; L188-I191 PolarHBondContact O-N 2.89Å; L188-N192 VanDerWaalsContact O-CB 3.27Å; L188-N192 WeakPolarHBondContact O-CB 3.49Å; L188-N192 PolarHBondContact O-N 3.33Å; L188-Y217 HydrophobicContact CD1-CD1 3.85Å; L188-Y217 HydrophobicContact CD1-CE1 3.54Å; L188-I236 HydrophobicContact CB-CD1 3.41Å; L188-I236 VanDerWaalsContact CB-CD1 3.41Å; L188-I236 HydrophobicContact CB-CG1 4.16Å; L188-I236 HydrophobicContact CD1-CD1 3.74Å; L188-I236 HydrophobicContact CG-CD1 4.21Å
189A90.3Very high88.3Confident20 Ų2039 Ų3917%0.16521%0.208CC..Hα-helixtrans-66.1-37.7176.700000111.9R185 K186 N192 C193 I234R185-A189 WeakPolarHBondContact O-CB 3.35Å; R185-A189 PolarHBondContact O-N 3.44Å; K186-A189 PolarHBondContact O-N 2.83Å; A189-N192 PolarHBondContact O-N 3.04Å; A189-C193 VanDerWaalsContact O-CB 3.32Å; A189-C193 WeakPolarHBondContact O-CB 3.44Å; A189-C193 PolarHBondContact O-N 2.97Å; A189-I234 HydrophobicContact CB-CG2 3.64Å
190Q85.4Confident88.5Confident71 Ų7135.1 Ų35.133%0.33219%0.193SC..Hα-helixtrans-63-46.5173.5-77.1176.8-44.600111.6K186 F187 N192 C193 K194K186-Q190 WeakPolarHBondContact O-CB 3.22Å; K186-Q190 VanDerWaalsContact O-CG 3.29Å; K186-Q190 WeakPolarHBondContact O-CG 3.42Å; K186-Q190 PolarHBondContact O-N 3.5Å; F187-Q190 PolarHBondContact O-N 2.98Å; Q190-N192 VanDerWaalsContact C-N 3.33Å; Q190-N192 PolarHBondContact O-N 3.31Å; Q190-C193 PolarHBondContact O-N 3.08Å; Q190-K194 WeakPolarHBondContact O-CG 3.4Å; Q190-K194 PolarHBondContact O-N 3.44Å
191I86.7Confident88.8Confident1 Ų135 Ų351%0.00519%0.192CC..Hα-helixtrans-59.2-48.1175.1-67.4170.8000110.4V137 I139 I147 L172 F187 L188 C193 K194 H195V137-I191 HydrophobicContact CB-CG1 4.27Å; V137-I191 HydrophobicContact CG1-CD1 4Å; V137-I191 HydrophobicContact CG1-CG1 3.59Å; I139-I191 HydrophobicContact CD1-CB 4.41Å; I139-I191 HydrophobicContact CD1-CD1 4.35Å; I139-I191 HydrophobicContact CD1-CG1 4.09Å; I139-I191 HydrophobicContact CD1-CG2 3.57Å; I147-I191 HydrophobicContact CD1-CB 4.47Å; I147-I191 HydrophobicContact CD1-CD1 4.31Å; I147-I191 HydrophobicContact CD1-CG2 3.53Å; L172-I191 HydrophobicContact CD2-CD1 4.31Å; F187-I191 HydrophobicContact CD1-CD1 4.09Å; F187-I191 HydrophobicContact CD2-CD1 4.46Å; F187-I191 HydrophobicContact CE1-CD1 3.53Å; F187-I191 HydrophobicContact CE2-CD1 3.95Å; F187-I191 HydrophobicContact CZ-CD1 3.47Å; F187-I191 VanDerWaalsContact CZ-CD1 3.47Å; F187-I191 WeakPolarHBondContact O-CG1 3.18Å; F187-I191 PolarHBondContact O-N 3.32Å; F187-I191 VanDerWaalsContact O-N 3.13Å; L188-I191 PolarHBondContact O-N 2.89Å; I191-C193 VanDerWaalsContact C-N 3.3Å; I191-C193 PolarHBondContact O-N 3.49Å; I191-K194 PolarHBondContact O-N 2.96Å; I191-H195 PolarHBondContact O-N 2.92Å
192N90.7Very high89.4Confident20 Ų2034.3 Ų34.311%0.10719%0.189CC..Hα-helixtrans-61-39.2-179.3-174.945.6000112.7L188 A189 Q190 P196 I200 I236 N238L188-N192 VanDerWaalsContact O-CB 3.27Å; L188-N192 WeakPolarHBondContact O-CB 3.49Å; L188-N192 PolarHBondContact O-N 3.33Å; A189-N192 PolarHBondContact O-N 3.04Å; Q190-N192 VanDerWaalsContact C-N 3.33Å; Q190-N192 PolarHBondContact O-N 3.31Å; N192-P196 VanDerWaalsContact O-CA 3.26Å; N192-P196 WeakPolarHBondContact O-CA 3.29Å; N192-I200 HydrophobicContact CB-CD1 3.87Å; N192-I236 HydrophobicContact CB-CG2 4.35Å; N192-N238 PolarHBondContact ND2-OD1 3.2Å; N192-N238 PolarHBondContact OD1-ND2 3Å; N192-N238 PolarHBondContact OD1-OD1 3.06Å
193C88.2Confident90.1Very high107 Ų10733.5 Ų33.572%0.72319%0.185SC*.Hα-helixtrans-69.3-38.3178.3-171.10000112.2A189 Q190 I191A189-C193 VanDerWaalsContact O-CB 3.32Å; A189-C193 WeakPolarHBondContact O-CB 3.44Å; A189-C193 PolarHBondContact O-N 2.97Å; Q190-C193 PolarHBondContact O-N 3.08Å; I191-C193 VanDerWaalsContact C-N 3.3Å; I191-C193 PolarHBondContact O-N 3.49Å
194K85.7Confident90.9Very high83 Ų8333.1 Ų33.136%0.36118%0.183SC..Hα-helixtrans-79-35.9-179.6-73.3-173.6169.9-160.70113.2E136 V137 Q190 I191E136-K194 IonicContact OE2-NZ 3.83Å; E136-K194 PolarHBondContact OE2-NZ 2.88Å; V137-K194 WeakPolarHBondContact O-CD 3.36Å; V137-K194 PolarHBondContact O-NZ 3.32Å; Q190-K194 WeakPolarHBondContact O-CG 3.4Å; Q190-K194 PolarHBondContact O-N 3.44Å; I191-K194 PolarHBondContact O-N 2.96Å
195H88Confident91.4Very high48 Ų4833.4 Ų33.422%0.22218%0.184CC..  trans-131.667.3-175.5-56.5-71.1000110.8I191 N197 I198I191-H195 PolarHBondContact O-N 2.92Å; H195-N197 PolarHBondContact O-N 3.48Å; H195-N197 VanDerWaalsContact O-N 3.08Å; H195-I198 HydrophobicContact CB-CD1 3.42Å; H195-I198 VanDerWaalsContact CB-CD1 3.42Å; H195-I198 HydrophobicContact CB-CG1 3.83Å; H195-I198 PolarHBondContact O-N 2.83Å
196P90.1Very high91.7Very high80 Ų8033.4 Ų33.452%0.51918%0.184SC..THydrogen-bonded Turntrans-62.6-19.5-175.625.4-35.7000113.9N192 I198N192-P196 VanDerWaalsContact O-CA 3.26Å; N192-P196 WeakPolarHBondContact O-CA 3.29Å; P196-I198 VanDerWaalsContact C-N 3.31Å
197N90.7Very high92.2Very high155 Ų15531.5 Ų31.583%0.82918%0.177SC*.THydrogen-bonded Turntrans-77-14.9178.6-63.4-20.9000113.4H195 P199H195-N197 PolarHBondContact O-N 3.48Å; H195-N197 VanDerWaalsContact O-N 3.08Å; N197-P199 VanDerWaalsContact O-CD 3.26Å; N197-P199 WeakPolarHBondContact O-CD 3.06Å
198I92.4Very high92.8Very high11 Ų1131.5 Ų31.56%0.05618%0.177CC..SBendtrans-77.8117.8178.1-61.3175.7000108.1I139 L143 P144 I147 H195 P196 I200I139-I198 HydrophobicContact CD1-CD1 4.16Å; L143-I198 HydrophobicContact CB-CD1 4.3Å; L143-I198 HydrophobicContact CD2-CD1 4.26Å; P144-I198 HydrophobicContact CG-CD1 4.07Å; P144-I198 HydrophobicContact CG-CG2 4.25Å; I147-I198 HydrophobicContact CD1-CG2 4.12Å; I147-I198 HydrophobicContact CG1-CG2 3.84Å; H195-I198 HydrophobicContact CB-CD1 3.42Å; H195-I198 VanDerWaalsContact CB-CD1 3.42Å; H195-I198 HydrophobicContact CB-CG1 3.83Å; H195-I198 PolarHBondContact O-N 2.83Å; P196-I198 VanDerWaalsContact C-N 3.31Å; I198-I200 PolarHBondContact O-N 3.15Å
199P95.8Very high93Very high39 Ų3935.6 Ų35.625%0.25320%0.196SC..  trans-63.5130.3176.6-18.631.7000111Q145 F146 I147 N197 L325Q145-P199 VanDerWaalsContact O-CD 3.25Å; Q145-P199 WeakPolarHBondContact O-CD 3.35Å; F146-P199 CarbonylContact C-O 3.58Å; F146-P199 WeakPolarHBondContact CA-O 3.4Å; F146-P199 HydrophobicContact CB-CB 4.45Å; I147-P199 PolarHBondContact N-O 3.01Å; N197-P199 VanDerWaalsContact O-CD 3.26Å; N197-P199 WeakPolarHBondContact O-CD 3.06Å; P199-L325 HydrophobicContact CB-CD1 3.95Å; P199-L325 HydrophobicContact CB-CD2 3.45Å; P199-L325 VanDerWaalsContact CB-CD2 3.45Å; P199-L325 HydrophobicContact CB-CG 4.37Å; P199-L325 HydrophobicContact CG-CD1 4.33Å; P199-L325 HydrophobicContact CG-CD2 3.76Å
200I97Very high93.3Very high2 Ų234.6 Ų34.61%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-111.1116.7172.4-49.4-177.3000107.4I147 I149 N192 I198 I236 L239 Q240I147-I200 HydrophobicContact CB-CG1 4.29Å; I147-I200 HydrophobicContact CB-CG2 4.24Å; I147-I200 HydrophobicContact CD1-CD1 4.44Å; I147-I200 HydrophobicContact CD1-CG1 4.29Å; I147-I200 HydrophobicContact CG2-CG2 4.31Å; I147-I200 WeakPolarHBondContact O-CA 3.33Å; I149-I200 HydrophobicContact CD1-CG2 3.73Å; I149-I200 HydrophobicContact CG1-CG2 4.12Å; N192-I200 HydrophobicContact CB-CD1 3.87Å; I198-I200 PolarHBondContact O-N 3.15Å; I200-I236 HydrophobicContact CD1-CG2 3.73Å; I200-L239 HydrophobicContact CB-CD1 4.35Å; I200-L239 HydrophobicContact CG2-CD1 3.74Å; I200-L239 WeakPolarHBondContact O-CA 3.48Å; I200-L239 WeakPolarHBondContact O-CD1 3.29Å; I200-Q240 PolarHBondContact O-N 2.75Å
201I97.5Very high93.9Very high0 Ų031.3 Ų31.30%017%0.172CC..EExtended strand (participates in β ladder)trans-120.3149.5-178.263.3170.3000109.4F146 I147 L148 I149 Q240 C242 L321 L325F146-I201 HydrophobicContact CD2-CD1 4.07Å; F146-I201 HydrophobicContact CD2-CG1 4.36Å; I147-I201 WeakPolarHBondContact O-CG1 3.37Å; I147-I201 PolarHBondContact O-N 2.98Å; L148-I201 WeakPolarHBondContact CA-O 3.42Å; L148-I201 HydrophobicContact CB-CG1 4.35Å; L148-I201 HydrophobicContact CD1-CD1 3.93Å; L148-I201 HydrophobicContact CD1-CG1 3.81Å; I149-I201 PolarHBondContact N-O 3.11Å; I201-Q240 CarbonylContact C-O 3.54Å; I201-Q240 WeakPolarHBondContact CA-O 3.46Å; I201-Q240 HydrophobicContact CG2-CB 4.27Å; I201-C242 HydrophobicContact CB-CB 4.2Å; I201-L321 HydrophobicContact CD1-CD2 3.42Å; I201-L321 VanDerWaalsContact CD1-CD2 3.42Å; I201-L325 HydrophobicContact CD1-CD1 4.26Å; I201-L325 HydrophobicContact CG2-CD1 4.19Å; I201-L325 HydrophobicContact CG2-CD2 4.44Å
202G97.6Very high94.3Very high0 Ų032.3 Ų32.30%018%0.178CC..EExtended strand (participates in β ladder)trans-131.3135.6-178.100000114.5I149 F204 Q240 C242I149-G202 CarbonylContact O-C 3.45Å; I149-G202 WeakPolarHBondContact O-CA 3.38Å; G202-F204 VanDerWaalsContact CA-CE2 3.41Å; G202-Q240 PolarHBondContact N-O 3.29Å; G202-C242 WeakPolarHBondContact O-CB 3.46Å; G202-C242 PolarHBondContact O-N 3.19Å
203L97.7Very high94.6Very high0 Ų031.3 Ų31.30%017%0.173CC..EExtended strand (participates in β ladder)trans-106.9112.4178.5-17275.1000109.8L148 I149 E151 I155 G243 L301 L312 Y316 L317L148-L203 HydrophobicContact CD1-CB 4.14Å; I149-L203 PolarHBondContact O-N 3.29Å; E151-L203 PolarHBondContact N-O 3.14Å; I155-L203 HydrophobicContact CG2-CD2 3.95Å; L203-G243 CarbonylContact C-O 3.51Å; L203-G243 WeakPolarHBondContact CA-O 3.31Å; L203-L301 HydrophobicContact CD1-CD2 3.69Å; L203-L301 HydrophobicContact CD2-CD1 4.27Å; L203-L301 HydrophobicContact CD2-CD2 4.19Å; L203-L301 HydrophobicContact CG-CD1 3.91Å; L203-L301 HydrophobicContact CG-CD2 3.72Å; L203-L312 HydrophobicContact CD2-CD1 4.15Å; L203-Y316 HydrophobicContact CD1-CE1 3.96Å; L203-L317 HydrophobicContact CD1-CD2 4.16Å; L203-L317 HydrophobicContact CD2-CD1 4.49Å; L203-L317 HydrophobicContact CD2-CD2 4.31Å
204F97.6Very high95Very high1 Ų126.3 Ų26.30%0.00414%0.138CC..  trans-130.1162.7-174.9-54.1-85.9000110.8I149 E151 G202 V213 F214 Y217 L241 G243 L244 L301I149-F204 HydrophobicContact CG2-CZ 4.26Å; E151-F204 HydrophobicContact CB-CD1 3.76Å; E151-F204 HydrophobicContact CB-CE1 4.41Å; E151-F204 HydrophobicContact CB-CG 4.47Å; E151-F204 HydrophobicContact CG-CD1 4.19Å; E151-F204 WeakPolarHBondContact OE2-CA 3.34Å; E151-F204 WeakPolarHBondContact OE2-CB 3.31Å; G202-F204 VanDerWaalsContact CA-CE2 3.41Å; F204-V213 HydrophobicContact CD1-CB 4.09Å; F204-V213 HydrophobicContact CD1-CG1 3.83Å; F204-V213 HydrophobicContact CE1-CB 4.28Å; F204-V213 HydrophobicContact CE1-CG1 3.63Å; F204-F214 HydrophobicContact CD1-CB 4.41Å; F204-F214 HydrophobicContact CD2-CB 3.88Å; F204-F214 HydrophobicContact CD2-CD2 4.2Å; F204-F214 HydrophobicContact CD2-CG 4.47Å; F204-F214 HydrophobicContact CE1-CB 4.34Å; F204-F214 HydrophobicContact CE2-CB 3.74Å; F204-F214 AromaticContact CE2-CD2 3.56Å; F204-F214 HydrophobicContact CE2-CD2 3.56Å; F204-F214 HydrophobicContact CE2-CG 4.13Å; F204-F214 HydrophobicContact CG-CB 4.22Å; F204-F214 HydrophobicContact CZ-CB 4Å; F204-F214 HydrophobicContact CZ-CD2 4.18Å; F204-Y217 HydrophobicContact CE1-CD2 4.08Å; F204-Y217 HydrophobicContact CE1-CE2 4.08Å; F204-Y217 HydrophobicContact CZ-CD2 4.15Å; F204-Y217 HydrophobicContact CZ-CE2 4.43Å; F204-L241 HydrophobicContact CD2-CD1 3.64Å; F204-L241 HydrophobicContact CE2-CD1 4.26Å; F204-G243 PolarHBondContact N-O 2.94Å; F204-G243 CarbonylContact O-C 3.6Å; F204-L244 PolarHBondContact O-N 3.32Å; F204-L301 WeakPolarHBondContact O-CD2 3.3Å; F204-L301 WeakPolarHBondContact O-CG 3.45Å
205D96.7Very high95.4Very high7 Ų722.5 Ų22.54%0.03712%0.122CC..  trans-62.7146.6170.2-75.2-20.1000111.1E151 K152 D207 L301E151-D205 PolarHBondContact OE2-N 2.81Å; K152-D205 WeakPolarHBondContact CE-OD2 3.49Å; K152-D205 IonicContact NZ-OD1 2.71Å; K152-D205 PolarHBondContact NZ-OD1 3.41Å; K152-D205 IonicContact NZ-OD2 2.56Å; K152-D205 PolarHBondContact NZ-OD2 3.28Å; D205-D207 PolarHBondContact O-N 3.41Å; D205-L301 PolarHBondContact OD1-N 3.4Å
206A96.5Very high95.8Very high0 Ų021 Ų210%012%0.116CC..BIsolated β-bridgetrans-81.659.4173.900000110.5L244 P246 I249 K298 A299A206-L244 HydrophobicContact CB-CB 3.98Å; A206-L244 HydrophobicContact CB-CD2 3.74Å; A206-L244 HydrophobicContact CB-CG 3.69Å; A206-L244 WeakPolarHBondContact CB-O 3.43Å; A206-P246 HydrophobicContact CB-CG 4.21Å; A206-I249 HydrophobicContact CB-CD1 3.82Å; A206-I249 HydrophobicContact CB-CG1 4.29Å; A206-K298 WeakPolarHBondContact O-CA 3.41Å; A206-A299 CarbonylContact C-O 3.58Å; A206-A299 WeakPolarHBondContact CA-O 3.22Å; A206-A299 HydrophobicContact CB-CB 4.39Å; A206-A299 PolarHBondContact N-O 2.8Å; A206-A299 PolarHBondContact O-N 2.9Å
207D96.5Very high96Very high16 Ų1617.2 Ų17.29%0.0869%0.092CC..SBendtrans-142.2169.9178.883.612.9000111.7D205 H209 G210 L211 K298D205-D207 PolarHBondContact O-N 3.41Å; D207-H209 PolarHBondContact O-N 3.35Å; D207-H209 WeakPolarHBondContact OD1-CA 3.33Å; D207-H209 WeakPolarHBondContact OD1-CB 3.49Å; D207-H209 PolarHBondContact OD1-N 2.97Å; D207-G210 PolarHBondContact O-N 3.26Å; D207-G210 PolarHBondContact OD1-N 2.95Å; D207-L211 WeakPolarHBondContact O-CG 3.2Å; D207-L211 PolarHBondContact O-N 3.31Å; D207-L211 VanDerWaalsContact O-N 3.11Å; D207-K298 HydrophobicContact CB-CB 3.66Å; D207-K298 HydrophobicContact CB-CD 3.83Å; D207-K298 HydrophobicContact CB-CG 4.24Å
208P96.7Very high96.3Very high0 Ų010.7 Ų10.70%06%0.056CC..Hα-helixtrans-61.4-30.1179.9-2839.1000114.3N212 L262 D266 L269 L270 L292P208-N212 WeakPolarHBondContact O-CB 3.03Å; P208-N212 PolarHBondContact O-N 3.33Å; P208-N212 VanDerWaalsContact O-N 3.08Å; P208-L262 HydrophobicContact CG-CD2 4.03Å; P208-D266 HydrophobicContact CG-CB 3.9Å; P208-L269 HydrophobicContact CB-CB 4.49Å; P208-L269 HydrophobicContact CB-CD2 3.97Å; P208-L269 HydrophobicContact CB-CG 4.33Å; P208-L270 HydrophobicContact CB-CD2 3.65Å; P208-L270 HydrophobicContact CB-CG 3.8Å; P208-L270 HydrophobicContact CG-CD1 3.83Å; P208-L270 HydrophobicContact CG-CD2 3.75Å; P208-L270 HydrophobicContact CG-CG 3.65Å; P208-L292 HydrophobicContact CG-CD1 4.37Å
209H95.9Very high96.3Very high86 Ų8612.9 Ų12.940%0.3986%0.064SC..Hα-helixtrans-73.5-45.5179.9-79.3-72.7000111.1Y179 D207 N212 V213 D266Y179-H209 PolarHBondContact OH-ND1 3.13Å; Y179-H209 PolarHBondContact OH-O 2.89Å; D207-H209 PolarHBondContact O-N 3.35Å; D207-H209 WeakPolarHBondContact OD1-CA 3.33Å; D207-H209 WeakPolarHBondContact OD1-CB 3.49Å; D207-H209 PolarHBondContact OD1-N 2.97Å; H209-N212 CarbonylContact O-C 3.56Å; H209-N212 PolarHBondContact O-N 3.36Å; H209-N212 VanDerWaalsContact O-N 3.08Å; H209-V213 WeakPolarHBondContact O-CG2 2.94Å; H209-V213 PolarHBondContact O-N 3.35Å; H209-D266 IonicContact CD2-OD1 2.99Å
210G96.7Very high96.1Very high0 Ų011.7 Ų11.70%06%0.058CC..Hα-helixtrans-59.2-44.2175.200000111.8E151 D207 N212 V213 F214E151-G210 WeakPolarHBondContact OE2-CA 3.32Å; D207-G210 PolarHBondContact O-N 3.26Å; D207-G210 PolarHBondContact OD1-N 2.95Å; G210-N212 VanDerWaalsContact C-N 3.32Å; G210-N212 PolarHBondContact O-N 3.24Å; G210-V213 WeakPolarHBondContact O-CB 3.31Å; G210-V213 PolarHBondContact O-N 3.2Å; G210-F214 PolarHBondContact O-N 3.3Å
211L96.8Very high95.6Very high2 Ų213 Ų131%0.017%0.067CC..Hα-helixtrans-62-38.2172.5-65.8-175000112.6D207 F214 C215 L241 M273 L285 Q288 I289 L292D207-L211 WeakPolarHBondContact O-CG 3.2Å; D207-L211 PolarHBondContact O-N 3.31Å; D207-L211 VanDerWaalsContact O-N 3.11Å; L211-F214 WeakPolarHBondContact O-CB 3.39Å; L211-F214 PolarHBondContact O-N 2.87Å; L211-C215 PolarHBondContact O-N 2.94Å; L211-C215 PolarHBondContact O-SG 2.99Å; L211-L241 HydrophobicContact CD2-CD2 3.85Å; L211-M273 HydrophobicContact CB-CE 3.86Å; L211-L285 HydrophobicContact CB-CD1 4.36Å; L211-L285 HydrophobicContact CD1-CD1 4.3Å; L211-L285 HydrophobicContact CD2-CD1 3.95Å; L211-L285 HydrophobicContact CG-CD1 4.45Å; L211-Q288 HydrophobicContact CD1-CB 4.19Å; L211-Q288 HydrophobicContact CD2-CB 4.45Å; L211-I289 HydrophobicContact CD1-CG1 3.89Å; L211-L292 HydrophobicContact CD1-CD1 3.57Å; L211-L292 HydrophobicContact CG-CD1 4.45Å
212N95.7Very high94.7Very high21 Ų2119 Ų1911%0.11210%0.104CC..Hα-helixtrans-72.5-31.2176.9-172.455.9000112.3Y179 P208 H209 G210 C215 T216 L269 M273 R276Y179-N212 WeakPolarHBondContact CE1-ND2 3.26Å; Y179-N212 PolarHBondContact OH-ND2 3.03Å; P208-N212 WeakPolarHBondContact O-CB 3.03Å; P208-N212 PolarHBondContact O-N 3.33Å; P208-N212 VanDerWaalsContact O-N 3.08Å; H209-N212 CarbonylContact O-C 3.56Å; H209-N212 PolarHBondContact O-N 3.36Å; H209-N212 VanDerWaalsContact O-N 3.08Å; G210-N212 VanDerWaalsContact C-N 3.32Å; G210-N212 PolarHBondContact O-N 3.24Å; N212-C215 PolarHBondContact O-N 3.28Å; N212-T216 PolarHBondContact O-N 3.15Å; N212-T216 PolarHBondContact O-OG1 3.27Å; N212-L269 HydrophobicContact CB-CD1 4.48Å; N212-L269 HydrophobicContact CB-CD2 4.27Å; N212-M273 HydrophobicContact CB-CE 4.24Å; N212-M273 HydrophobicContact CB-SD 3.91Å; N212-R276 PolarHBondContact OD1-NH1 3.24Å
213V96.2Very high93.8Very high0 Ų022 Ų220%012%0.12CC..Hα-helixtrans-62.6-50.4169.8175.40000109.5E151 Y179 F204 H209 G210 C215 T216 Y217E151-V213 HydrophobicContact CG-CG1 4.36Å; Y179-V213 HydrophobicContact CD1-CB 4.5Å; Y179-V213 HydrophobicContact CD1-CG2 3.76Å; Y179-V213 HydrophobicContact CD2-CG2 3.85Å; Y179-V213 HydrophobicContact CE1-CB 4.39Å; Y179-V213 HydrophobicContact CE1-CG2 3.63Å; Y179-V213 HydrophobicContact CE2-CG2 3.72Å; Y179-V213 HydrophobicContact CG-CG2 3.85Å; F204-V213 HydrophobicContact CD1-CB 4.09Å; F204-V213 HydrophobicContact CD1-CG1 3.83Å; F204-V213 HydrophobicContact CE1-CB 4.28Å; F204-V213 HydrophobicContact CE1-CG1 3.63Å; H209-V213 WeakPolarHBondContact O-CG2 2.94Å; H209-V213 PolarHBondContact O-N 3.35Å; G210-V213 WeakPolarHBondContact O-CB 3.31Å; G210-V213 PolarHBondContact O-N 3.2Å; V213-C215 VanDerWaalsContact C-N 3.32Å; V213-C215 PolarHBondContact O-N 3.12Å; V213-T216 WeakPolarHBondContact O-CB 3.36Å; V213-T216 PolarHBondContact O-N 2.88Å; V213-Y217 HydrophobicContact CG1-CD2 4.07Å; V213-Y217 HydrophobicContact CG1-CE2 3.81Å; V213-Y217 WeakPolarHBondContact O-CD2 3.32Å; V213-Y217 PolarHBondContact O-N 2.7Å; V213-Y217 VanDerWaalsContact O-N 3.14Å
214F96.9Very high92.5Very high2 Ų226.1 Ų26.11%0.00915%0.146CC..Hα-helixtrans-51.9-49.3173.7168.6-100.2000111.9F204 G210 L211 T216 Y217 K218 L239 L241 L285F204-F214 HydrophobicContact CD1-CB 4.41Å; F204-F214 HydrophobicContact CD2-CB 3.88Å; F204-F214 HydrophobicContact CD2-CD2 4.2Å; F204-F214 HydrophobicContact CD2-CG 4.47Å; F204-F214 HydrophobicContact CE1-CB 4.34Å; F204-F214 HydrophobicContact CE2-CB 3.74Å; F204-F214 AromaticContact CE2-CD2 3.56Å; F204-F214 HydrophobicContact CE2-CD2 3.56Å; F204-F214 HydrophobicContact CE2-CG 4.13Å; F204-F214 HydrophobicContact CG-CB 4.22Å; F204-F214 HydrophobicContact CZ-CB 4Å; F204-F214 HydrophobicContact CZ-CD2 4.18Å; G210-F214 PolarHBondContact O-N 3.3Å; L211-F214 WeakPolarHBondContact O-CB 3.39Å; L211-F214 PolarHBondContact O-N 2.87Å; F214-T216 VanDerWaalsContact C-N 3.25Å; F214-T216 PolarHBondContact O-N 3.04Å; F214-Y217 PolarHBondContact O-N 3.14Å; F214-Y217 VanDerWaalsContact O-N 3.15Å; F214-K218 HydrophobicContact CE1-CD 3.89Å; F214-K218 HydrophobicContact CE2-CD 4.49Å; F214-K218 HydrophobicContact CZ-CB 4.46Å; F214-K218 HydrophobicContact CZ-CD 3.63Å; F214-K218 PolarHBondContact O-N 2.88Å; F214-L239 HydrophobicContact CD2-CD2 3.87Å; F214-L239 HydrophobicContact CD2-CG 4.09Å; F214-L239 HydrophobicContact CE2-CD2 3.96Å; F214-L239 HydrophobicContact CE2-CG 3.7Å; F214-L241 HydrophobicContact CB-CD1 4.42Å; F214-L241 HydrophobicContact CD2-CB 4.16Å; F214-L241 HydrophobicContact CD2-CD1 3.96Å; F214-L241 HydrophobicContact CE1-CB 4.34Å; F214-L241 HydrophobicContact CE2-CB 3.68Å; F214-L241 HydrophobicContact CE2-CD1 4.36Å; F214-L241 HydrophobicContact CG-CD1 4.11Å; F214-L241 HydrophobicContact CZ-CB 3.8Å; F214-L285 HydrophobicContact CD1-CD1 4.42Å; F214-L285 HydrophobicContact CE1-CD2 4.5Å
215C95.4Very high91.2Very high3 Ų328.5 Ų28.52%0.0216%0.158CC..Hα-helixtrans-59.9-36177.5-69.20000112.7L211 N212 V213 Y217 K218 Y219 L285L211-C215 PolarHBondContact O-N 2.94Å; L211-C215 PolarHBondContact O-SG 2.99Å; N212-C215 PolarHBondContact O-N 3.28Å; V213-C215 VanDerWaalsContact C-N 3.32Å; V213-C215 PolarHBondContact O-N 3.12Å; C215-Y217 VanDerWaalsContact C-N 3.33Å; C215-K218 PolarHBondContact O-N 3.42Å; C215-Y219 HydrophobicContact CB-CD2 4.12Å; C215-Y219 PolarHBondContact O-N 3.47Å; C215-L285 VanDerWaalsContact SG-CD2 3.55Å
216T94.6Very high90.2Very high16 Ų1630 Ų3010%0.09817%0.165CC..Hα-helixtrans-67-35.2179-56.30000111.5P180 R185 N212 V213 F214 G220P180-T216 HydrophobicContact CG-CG2 3.96Å; R185-T216 WeakPolarHBondContact CD-O 3.35Å; N212-T216 PolarHBondContact O-N 3.15Å; N212-T216 PolarHBondContact O-OG1 3.27Å; V213-T216 WeakPolarHBondContact O-CB 3.36Å; V213-T216 PolarHBondContact O-N 2.88Å; F214-T216 VanDerWaalsContact C-N 3.25Å; F214-T216 PolarHBondContact O-N 3.04Å; T216-G220 WeakPolarHBondContact O-CA 3.46Å; T216-G220 PolarHBondContact O-N 2.76Å
217Y95.7Very high89.5Confident0 Ų032 Ų320%018%0.175CC..Hα-helixtrans-70.1-52170-78.7-81.4000111.6I149 A176 P180 T184 R185 L188 F204 V213 F214 C215 I236 L239I149-Y217 HydrophobicContact CD1-CD1 4.07Å; I149-Y217 HydrophobicContact CD1-CE1 4.17Å; I149-Y217 HydrophobicContact CD1-CG 4.48Å; I149-Y217 HydrophobicContact CG2-CD2 4.5Å; I149-Y217 HydrophobicContact CG2-CE1 4.12Å; I149-Y217 HydrophobicContact CG2-CE2 3.89Å; A176-Y217 WeakPolarHBondContact CB-OH 3.37Å; P180-Y217 HydrophobicContact CB-CD1 4.08Å; P180-Y217 HydrophobicContact CB-CD2 4.42Å; P180-Y217 HydrophobicContact CB-CE1 3.52Å; P180-Y217 HydrophobicContact CB-CE2 3.88Å; P180-Y217 VanDerWaalsContact CB-CZ 3.41Å; P180-Y217 HydrophobicContact CG-CD1 3.95Å; P180-Y217 HydrophobicContact CG-CD2 3.73Å; P180-Y217 HydrophobicContact CG-CE1 3.84Å; P180-Y217 HydrophobicContact CG-CE2 3.58Å; P180-Y217 HydrophobicContact CG-CG 3.91Å; T184-Y217 HydrophobicContact CG2-CE1 3.75Å; R185-Y217 HydrophobicContact CG-CD1 4.24Å; L188-Y217 HydrophobicContact CD1-CD1 3.85Å; L188-Y217 HydrophobicContact CD1-CE1 3.54Å; F204-Y217 HydrophobicContact CE1-CD2 4.08Å; F204-Y217 HydrophobicContact CE1-CE2 4.08Å; F204-Y217 HydrophobicContact CZ-CD2 4.15Å; F204-Y217 HydrophobicContact CZ-CE2 4.43Å; V213-Y217 HydrophobicContact CG1-CD2 4.07Å; V213-Y217 HydrophobicContact CG1-CE2 3.81Å; V213-Y217 WeakPolarHBondContact O-CD2 3.32Å; V213-Y217 PolarHBondContact O-N 2.7Å; V213-Y217 VanDerWaalsContact O-N 3.14Å; F214-Y217 PolarHBondContact O-N 3.14Å; F214-Y217 VanDerWaalsContact O-N 3.15Å; C215-Y217 VanDerWaalsContact C-N 3.33Å; Y217-I236 HydrophobicContact CD1-CD1 3.87Å; Y217-I236 PolarHBondContact O-N 3.34Å; Y217-L239 HydrophobicContact CG-CD2 4.25Å
218K95.6Very high88.6Confident19 Ų1933.1 Ų33.18%0.08318%0.181CC..Hα-helixtrans-66.9-45.9-171.2-175.5165.8-177.1155.50113.3F214 C215 S235 I236 P237 L239 E282F214-K218 HydrophobicContact CE1-CD 3.89Å; F214-K218 HydrophobicContact CE2-CD 4.49Å; F214-K218 HydrophobicContact CZ-CB 4.46Å; F214-K218 HydrophobicContact CZ-CD 3.63Å; F214-K218 PolarHBondContact O-N 2.88Å; C215-K218 PolarHBondContact O-N 3.42Å; K218-S235 VanDerWaalsContact O-CB 3.29Å; K218-S235 WeakPolarHBondContact O-CB 3.45Å; K218-I236 WeakPolarHBondContact CA-O 3.44Å; K218-I236 CarbonylContact O-C 3.54Å; K218-I236 PolarHBondContact O-N 2.6Å; K218-P237 WeakPolarHBondContact CE-O 3.47Å; K218-L239 HydrophobicContact CB-CB 4.37Å; K218-L239 HydrophobicContact CB-CD2 4.3Å; K218-L239 PolarHBondContact NZ-O 2.72Å; K218-E282 WeakPolarHBondContact CE-OE2 3.2Å; K218-E282 IonicContact NZ-OE1 2.99Å; K218-E282 PolarHBondContact NZ-OE1 3.03Å; K218-E282 IonicContact NZ-OE2 3.33Å; K218-E282 PolarHBondContact NZ-OE2 2.98Å
219Y93.7Very high87.5Confident57 Ų5739 Ų3922%0.22421%0.208CC..THydrogen-bonded Turntrans-108.6-8.2-173.8-52.7-63.1000113.5C215 T278 I279 E282 L285C215-Y219 HydrophobicContact CB-CD2 4.12Å; C215-Y219 PolarHBondContact O-N 3.47Å; Y219-T278 HydrophobicContact CD1-CG2 4.2Å; Y219-I279 HydrophobicContact CE2-CG1 4.47Å; Y219-E282 WeakPolarHBondContact OH-CB 3.18Å; Y219-E282 PolarHBondContact OH-OE2 3.44Å; Y219-E282 VanDerWaalsContact OH-OE2 3.04Å; Y219-L285 HydrophobicContact CE2-CD2 4.41Å
220G91.6Very high86.6Confident13 Ų1340.8 Ų40.813%0.13422%0.22CC..  trans77.1-161.7-172.900000112.9T216 I234T216-G220 WeakPolarHBondContact O-CA 3.46Å; T216-G220 PolarHBondContact O-N 2.76Å; G220-I234 WeakPolarHBondContact CA-O 3.43Å
221T85.5Confident85.6Confident30 Ų3042 Ų4218%0.18423%0.234CC..  trans-135.8146.8-179.3173.90000110.5N223 M226T221-N223 HydrophobicContact CG2-CB 4.26Å; T221-N223 PolarHBondContact O-N 2.95Å; T221-N223 WeakPolarHBondContact OG1-CB 3.45Å; T221-N223 PolarHBondContact OG1-N 3.26Å; T221-M226 HydrophobicContact CG2-CB 3.22Å; T221-M226 HydrophobicContact CG2-CE 4.23Å; T221-M226 HydrophobicContact CG2-CG 4.15Å; T221-M226 HydrophobicContact CG2-SD 3.97Å
222T79.2Confident85Confident127 Ų12746.3 Ų46.378%0.77926%0.256SS*.SBendtrans-79-4.7172.354.20000112.4P224T222-P224 WeakPolarHBondContact O-CD 3.25Å
223N79.1Confident84.6Confident62 Ų6248 Ų4833%0.33227%0.268SS..  trans-64.8116.5174.8-176.6-11.6000109.3T221 M225 M226T221-N223 HydrophobicContact CG2-CB 4.26Å; T221-N223 PolarHBondContact O-N 2.95Å; T221-N223 WeakPolarHBondContact OG1-CB 3.45Å; T221-N223 PolarHBondContact OG1-N 3.26Å; N223-M225 PolarHBondContact O-N 3.21Å; N223-M225 VanDerWaalsContact OD1-CB 3.3Å; N223-M225 WeakPolarHBondContact OD1-CB 3.46Å; N223-M225 WeakPolarHBondContact OD1-CG 3.38Å; N223-M225 PolarHBondContact OD1-N 3.12Å; N223-M226 HydrophobicContact CB-CB 4.35Å; N223-M226 WeakPolarHBondContact O-CA 3.42Å; N223-M226 PolarHBondContact O-N 3.47Å
224P70.8Confident84.2Confident86 Ų8648.7 Ų48.756%0.55827%0.272SS*.G310 helixtrans-58.7-23.5-179-24.735.3000113.7T222 M226T222-P224 WeakPolarHBondContact O-CD 3.25Å; P224-M226 PolarHBondContact O-N 2.88Å
225M70Confident84Confident51 Ų5150.8 Ų50.825%0.25129%0.287SS..G310 helixtrans-69.1-11.1175.8-59.1-179.763.300113.9K59 D77 N223K59-M225 HydrophobicContact CD-CE 4.28Å; D77-M225 HydrophobicContact CB-SD 4.34Å; D77-M225 WeakPolarHBondContact OD1-CE 3.37Å; N223-M225 PolarHBondContact O-N 3.21Å; N223-M225 VanDerWaalsContact OD1-CB 3.3Å; N223-M225 WeakPolarHBondContact OD1-CB 3.46Å; N223-M225 WeakPolarHBondContact OD1-CG 3.38Å; N223-M225 PolarHBondContact OD1-N 3.12Å
226M75.5Confident84Confident40 Ų4050.6 Ų50.620%0.19729%0.286CS..G310 helixtrans-129.521.5-168.7-72.2-170.877.600111.3P180 R185 T221 N223 P224P180-M226 WeakPolarHBondContact O-CE 3.49Å; R185-M226 PolarHBondContact NH1-O 3.45Å; R185-M226 PolarHBondContact NH2-O 3.45Å; T221-M226 HydrophobicContact CG2-CB 3.22Å; T221-M226 HydrophobicContact CG2-CE 4.23Å; T221-M226 HydrophobicContact CG2-CG 4.15Å; T221-M226 HydrophobicContact CG2-SD 3.97Å; N223-M226 HydrophobicContact CB-CB 4.35Å; N223-M226 WeakPolarHBondContact O-CA 3.42Å; N223-M226 PolarHBondContact O-N 3.47Å; P224-M226 PolarHBondContact O-N 2.88Å
227Q80.7Confident83.8Confident42 Ų4253.9 Ų53.920%0.19631%0.307CS..BIsolated β-bridgetrans-96.7166.6173.7-70.5173.1-25.400111.1G231 N232Q227-G231 PolarHBondContact NE2-O 3.01Å; Q227-G231 VanDerWaalsContact NE2-O 3.16Å; Q227-G231 PolarHBondContact OE1-O 3.17Å; Q227-G231 VanDerWaalsContact OE1-O 3.12Å; Q227-N232 WeakPolarHBondContact CA-O 3.23Å; Q227-N232 WeakPolarHBondContact CB-O 3.43Å
228N78.4Confident83.7Confident39 Ų3956.3 Ų56.321%0.20932%0.32CS..  trans-75.4-173.7172.177.9-12000111.5D230 G231 N232 I234N228-D230 PolarHBondContact ND2-OD2 3.38Å; N228-D230 PolarHBondContact O-N 3.18Å; N228-D230 PolarHBondContact OD1-N 2.8Å; N228-G231 PolarHBondContact O-N 2.72Å; N228-G231 VanDerWaalsContact O-N 3.14Å; N228-G231 PolarHBondContact OD1-N 2.77Å; N228-G231 VanDerWaalsContact OD1-N 3.15Å; N228-N232 PolarHBondContact N-O 3.31Å; N228-N232 WeakPolarHBondContact OD1-CA 3.31Å; N228-N232 WeakPolarHBondContact OD1-CB 3.39Å; N228-N232 PolarHBondContact OD1-N 3.47Å; N228-N232 PolarHBondContact OD1-O 2.85Å; N228-I234 HydrophobicContact CB-CD1 3.97Å; N228-I234 HydrophobicContact CB-CG1 3.9Å
229E74.2Confident83.7Confident123 Ų12355.4 Ų55.458%0.57532%0.316SS*.THydrogen-bonded Turntrans-62.1-28.9178.9-74.6141.9-132.700113.3P90 C92 K186 G231P90-E229 WeakPolarHBondContact CB-O 3.5Å; P90-E229 VanDerWaalsContact CG-O 3.32Å; P90-E229 WeakPolarHBondContact CG-O 3.49Å; C92-E229 VanDerWaalsContact SG-CG 3.58Å; K186-E229 IonicContact NZ-OE1 2.76Å; K186-E229 PolarHBondContact NZ-OE1 3.13Å; E229-G231 VanDerWaalsContact C-N 3.31Å; E229-G231 PolarHBondContact O-N 3.14Å
230D77Confident83.8Confident123 Ų12356.9 Ų56.966%0.65833%0.325SS*.THydrogen-bonded Turntrans-86.21.2177.5-43.9-57.9000113.5N228 N232N228-D230 PolarHBondContact ND2-OD2 3.38Å; N228-D230 PolarHBondContact O-N 3.18Å; N228-D230 PolarHBondContact OD1-N 2.8Å; D230-N232 VanDerWaalsContact C-N 3.29Å; D230-N232 PolarHBondContact O-N 3.26Å
231G75.6Confident84.1Confident27 Ų2757.3 Ų57.328%0.27832%0.324SS..SBendtrans76.812.3-173.700000114.4Q227 N228 E229Q227-G231 PolarHBondContact NE2-O 3.01Å; Q227-G231 VanDerWaalsContact NE2-O 3.16Å; Q227-G231 PolarHBondContact OE1-O 3.17Å; Q227-G231 VanDerWaalsContact OE1-O 3.12Å; N228-G231 PolarHBondContact O-N 2.72Å; N228-G231 VanDerWaalsContact O-N 3.14Å; N228-G231 PolarHBondContact OD1-N 2.77Å; N228-G231 VanDerWaalsContact OD1-N 3.15Å; E229-G231 VanDerWaalsContact C-N 3.31Å; E229-G231 PolarHBondContact O-N 3.14Å
232N83.9Confident84.5Confident91 Ų9155.9 Ų55.949%0.48732%0.316SS..  trans-87.1144.3177.2-67.7-44.2000112Q227 N228 D230 I234Q227-N232 WeakPolarHBondContact CA-O 3.23Å; Q227-N232 WeakPolarHBondContact CB-O 3.43Å; N228-N232 PolarHBondContact N-O 3.31Å; N228-N232 WeakPolarHBondContact OD1-CA 3.31Å; N228-N232 WeakPolarHBondContact OD1-CB 3.39Å; N228-N232 PolarHBondContact OD1-N 3.47Å; N228-N232 PolarHBondContact OD1-O 2.85Å; D230-N232 VanDerWaalsContact C-N 3.29Å; D230-N232 PolarHBondContact O-N 3.26Å; N232-I234 PolarHBondContact O-N 3.22Å
233P86.3Confident85.2Confident56 Ų5649.8 Ų49.836%0.36428%0.278SS..BIsolated β-bridgetrans-61.6131.3172.6-21.232.7000111.8S235P233-S235 PolarHBondContact O-N 3.15Å
234I89.2Confident85.9Confident15 Ų1547 Ų478%0.07726%0.263CS..  trans-81.7114.2171.2-50.1-170.1000108.8L182 R185 K186 A189 G220 N228 N232L182-I234 HydrophobicContact CD1-CD1 3.49Å; L182-I234 VanDerWaalsContact CD1-CD1 3.49Å; L182-I234 HydrophobicContact CD1-CG1 4.34Å; R185-I234 HydrophobicContact CB-CB 4.24Å; R185-I234 HydrophobicContact CB-CG2 3.87Å; R185-I234 PolarHBondContact NH1-O 2.96Å; K186-I234 HydrophobicContact CD-CD1 4.23Å; K186-I234 HydrophobicContact CG-CD1 3.36Å; A189-I234 HydrophobicContact CB-CG2 3.64Å; G220-I234 WeakPolarHBondContact CA-O 3.43Å; N228-I234 HydrophobicContact CB-CD1 3.97Å; N228-I234 HydrophobicContact CB-CG1 3.9Å; N232-I234 PolarHBondContact O-N 3.22Å
235S92.5Very high87.1Confident46 Ų4643.9 Ų43.932%0.32224%0.242SC..  trans-127.8158.8-170.9600000111.7K218 P233K218-S235 VanDerWaalsContact O-CB 3.29Å; K218-S235 WeakPolarHBondContact O-CB 3.45Å; P233-S235 PolarHBondContact O-N 3.15Å
236I94.4Very high88.3Confident0 Ų041.5 Ų41.50%023%0.23CC..  trans-12781.1176.2-53161.9000106.9I149 L188 N192 I200 Y217 K218 N238 L239I149-I236 HydrophobicContact CD1-CD1 4.49Å; L188-I236 HydrophobicContact CB-CD1 3.41Å; L188-I236 VanDerWaalsContact CB-CD1 3.41Å; L188-I236 HydrophobicContact CB-CG1 4.16Å; L188-I236 HydrophobicContact CD1-CD1 3.74Å; L188-I236 HydrophobicContact CG-CD1 4.21Å; N192-I236 HydrophobicContact CB-CG2 4.35Å; I200-I236 HydrophobicContact CD1-CG2 3.73Å; Y217-I236 HydrophobicContact CD1-CD1 3.87Å; Y217-I236 PolarHBondContact O-N 3.34Å; K218-I236 WeakPolarHBondContact CA-O 3.44Å; K218-I236 CarbonylContact O-C 3.54Å; K218-I236 PolarHBondContact O-N 2.6Å; I236-N238 VanDerWaalsContact C-N 3.29Å; I236-N238 WeakPolarHBondContact CG2-OD1 3.47Å; I236-N238 PolarHBondContact O-N 3.06Å; I236-L239 HydrophobicContact CB-CB 4.22Å; I236-L239 HydrophobicContact CG2-CB 3.99Å; I236-L239 VanDerWaalsContact O-CB 3.22Å; I236-L239 WeakPolarHBondContact O-CB 3.31Å; I236-L239 PolarHBondContact O-N 3.45Å
237P91.8Very high89.2Confident84 Ų8440.5 Ų40.555%0.54523%0.226SC..THydrogen-bonded Turntrans-63.1-31-166.121.5-33.6000114.2K218 L239K218-P237 WeakPolarHBondContact CE-O 3.47Å; P237-L239 VanDerWaalsContact C-N 3.29Å; P237-L239 PolarHBondContact O-N 2.97Å
238N92.5Very high89.9Confident51 Ų5140.1 Ų40.127%0.27322%0.224SC..THydrogen-bonded Turntrans-84.55177.966.6-23.8000113.9N192 I236 Q240N192-N238 PolarHBondContact ND2-OD1 3.2Å; N192-N238 PolarHBondContact OD1-ND2 3Å; N192-N238 PolarHBondContact OD1-OD1 3.06Å; I236-N238 VanDerWaalsContact C-N 3.29Å; I236-N238 WeakPolarHBondContact CG2-OD1 3.47Å; I236-N238 PolarHBondContact O-N 3.06Å; N238-Q240 PolarHBondContact O-N 3.29Å
239L96.7Very high90.5Very high0 Ų038.7 Ų38.70%022%0.217CC..  trans-61.9125.5175.8177.161.9000110.6I149 I200 F214 Y217 K218 I236 P237I149-L239 HydrophobicContact CD1-CD1 3.81Å; I149-L239 HydrophobicContact CD1-CD2 4.33Å; I200-L239 HydrophobicContact CB-CD1 4.35Å; I200-L239 HydrophobicContact CG2-CD1 3.74Å; I200-L239 WeakPolarHBondContact O-CA 3.48Å; I200-L239 WeakPolarHBondContact O-CD1 3.29Å; F214-L239 HydrophobicContact CD2-CD2 3.87Å; F214-L239 HydrophobicContact CD2-CG 4.09Å; F214-L239 HydrophobicContact CE2-CD2 3.96Å; F214-L239 HydrophobicContact CE2-CG 3.7Å; Y217-L239 HydrophobicContact CG-CD2 4.25Å; K218-L239 HydrophobicContact CB-CB 4.37Å; K218-L239 HydrophobicContact CB-CD2 4.3Å; K218-L239 PolarHBondContact NZ-O 2.72Å; I236-L239 HydrophobicContact CB-CB 4.22Å; I236-L239 HydrophobicContact CG2-CB 3.99Å; I236-L239 VanDerWaalsContact O-CB 3.22Å; I236-L239 WeakPolarHBondContact O-CB 3.31Å; I236-L239 PolarHBondContact O-N 3.45Å; P237-L239 VanDerWaalsContact C-N 3.29Å; P237-L239 PolarHBondContact O-N 2.97Å
240Q95.9Very high91.2Very high89 Ų8936.4 Ų36.442%0.41621%0.214SC..EExtended strand (participates in β ladder)trans-104.8139.5177.3-63.6179.6-23.800111.5I200 I201 G202 N238 C242I200-Q240 PolarHBondContact O-N 2.75Å; I201-Q240 CarbonylContact C-O 3.54Å; I201-Q240 WeakPolarHBondContact CA-O 3.46Å; I201-Q240 HydrophobicContact CG2-CB 4.27Å; G202-Q240 PolarHBondContact N-O 3.29Å; N238-Q240 PolarHBondContact O-N 3.29Å; Q240-C242 PolarHBondContact O-N 3.43Å
241L96.3Very high91.8Very high21 Ų2138.3 Ų38.311%0.1122%0.217CC..EExtended strand (participates in β ladder)trans-79.4104.8175.7-17861.6000108.9F204 L211 F214 L245 Q288F204-L241 HydrophobicContact CD2-CD1 3.64Å; F204-L241 HydrophobicContact CE2-CD1 4.26Å; L211-L241 HydrophobicContact CD2-CD2 3.85Å; F214-L241 HydrophobicContact CB-CD1 4.42Å; F214-L241 HydrophobicContact CD2-CB 4.16Å; F214-L241 HydrophobicContact CD2-CD1 3.96Å; F214-L241 HydrophobicContact CE1-CB 4.34Å; F214-L241 HydrophobicContact CE2-CB 3.68Å; F214-L241 HydrophobicContact CE2-CD1 4.36Å; F214-L241 HydrophobicContact CG-CD1 4.11Å; F214-L241 HydrophobicContact CZ-CB 3.8Å; L241-L245 HydrophobicContact CB-CD2 4.47Å; L241-L245 HydrophobicContact CD2-CD2 3.5Å; L241-L245 VanDerWaalsContact CD2-CD2 3.5Å; L241-L245 HydrophobicContact CG-CD2 3.57Å; L241-Q288 HydrophobicContact CD2-CG 4.28Å
242C95.7Very high92.4Very high0 Ų038.6 Ų38.60%021%0.211CC..EExtended strand (participates in β ladder)trans-73.6-42.5179.1-176.10000111I201 G202 Q240 K320 L324I201-C242 HydrophobicContact CB-CB 4.2Å; G202-C242 WeakPolarHBondContact O-CB 3.46Å; G202-C242 PolarHBondContact O-N 3.19Å; Q240-C242 PolarHBondContact O-N 3.43Å; C242-K320 WeakPolarHBondContact O-CD 3.2Å; C242-K320 WeakPolarHBondContact O-CE 3.05Å; C242-K320 PolarHBondContact O-NZ 3.49Å; C242-L324 HydrophobicContact CB-CD1 4.35Å
243G91.9Very high92.4Very high0 Ų043.6 Ų43.60%023%0.231CC..EExtended strand (participates in β ladder)trans149.7-163.2176.200000110.3L203 F204 Y316L203-G243 CarbonylContact C-O 3.51Å; L203-G243 WeakPolarHBondContact CA-O 3.31Å; F204-G243 PolarHBondContact N-O 2.94Å; F204-G243 CarbonylContact O-C 3.6Å; G243-Y316 WeakPolarHBondContact CA-OH 3.39Å
244L95.2Very high92.4Very high3 Ų342 Ų422%0.01622%0.219CC..  cis-58.8121.6-10.3-179.563.4000109.6F204 A206 F252 A299 L301 I303 L304 Y316F204-L244 PolarHBondContact O-N 3.32Å; A206-L244 HydrophobicContact CB-CB 3.98Å; A206-L244 HydrophobicContact CB-CD2 3.74Å; A206-L244 HydrophobicContact CB-CG 3.69Å; A206-L244 WeakPolarHBondContact CB-O 3.43Å; L244-F252 HydrophobicContact CD1-CD2 4.43Å; L244-F252 HydrophobicContact CD1-CE2 3.64Å; L244-F252 HydrophobicContact CD1-CZ 4.42Å; L244-A299 HydrophobicContact CD2-CB 4.2Å; L244-L301 HydrophobicContact CB-CD2 3.81Å; L244-I303 HydrophobicContact CD2-CG2 4Å; L244-L304 HydrophobicContact CD1-CD1 4.4Å; L244-L304 HydrophobicContact CD1-CD2 4.06Å; L244-L304 HydrophobicContact CD1-CG 4.5Å; L244-Y316 WeakPolarHBondContact CA-OH 3.42Å; L244-Y316 HydrophobicContact CD1-CE2 4.15Å
245L95.9Very high92.2Very high21 Ų2148.3 Ų48.311%0.1125%0.246CC..  trans-79.1132.8178.9-57.1177.9000108.9L241 T247 E248 Q288L241-L245 HydrophobicContact CB-CD2 4.47Å; L241-L245 HydrophobicContact CD2-CD2 3.5Å; L241-L245 VanDerWaalsContact CD2-CD2 3.5Å; L241-L245 HydrophobicContact CG-CD2 3.57Å; L245-T247 PolarHBondContact O-N 2.89Å; L245-E248 HydrophobicContact CB-CB 4.34Å; L245-E248 HydrophobicContact CB-CG 3.82Å; L245-E248 VanDerWaalsContact CB-OE2 3.26Å; L245-E248 WeakPolarHBondContact CB-OE2 3.43Å; L245-E248 HydrophobicContact CD1-CG 4.33Å; L245-E248 HydrophobicContact CG-CG 4.45Å; L245-E248 WeakPolarHBondContact CG-OE2 3.49Å; L245-E248 PolarHBondContact N-OE2 3.08Å; L245-E248 VanDerWaalsContact N-OE2 3.16Å; L245-E248 WeakPolarHBondContact O-CB 3.28Å; L245-E248 PolarHBondContact O-N 3.09Å; L245-Q288 HydrophobicContact CD2-CG 4.29Å
246P95.5Very high91.8Very high0 Ų054.5 Ų54.50%027%0.27CS..G310 helixtrans-48.5-42.3172.2-3336.3000113.9A206 E248 I249 Q288 Y291 L292A206-P246 HydrophobicContact CB-CG 4.21Å; P246-E248 PolarHBondContact O-N 3.28Å; P246-E248 VanDerWaalsContact O-N 3.09Å; P246-I249 WeakPolarHBondContact O-CB 3.48Å; P246-I249 WeakPolarHBondContact O-CG1 3.36Å; P246-I249 PolarHBondContact O-N 3.35Å; P246-Q288 HydrophobicContact CG-CB 4.06Å; P246-Y291 VanDerWaalsContact C-CD1 3.48Å; P246-Y291 HydrophobicContact CB-CD1 3.88Å; P246-Y291 WeakPolarHBondContact O-CD1 3.42Å; P246-Y291 WeakPolarHBondContact O-CE1 3.27Å; P246-L292 HydrophobicContact CB-CD1 4.43Å; P246-L292 HydrophobicContact CB-CD2 3.67Å; P246-L292 HydrophobicContact CB-CG 3.68Å; P246-L292 HydrophobicContact CG-CD1 3.82Å; P246-L292 HydrophobicContact CG-CD2 3.75Å; P246-L292 HydrophobicContact CG-CG 3.63Å
247T94.8Very high91.4Very high19 Ų1960.3 Ų60.312%0.11731%0.305CS..G310 helixtrans-63.4-15177.953.90000114.1L245 F251 K287 Q288 Y291L245-T247 PolarHBondContact O-N 2.89Å; T247-F251 WeakPolarHBondContact O-CE2 3.35Å; T247-K287 HydrophobicContact CG2-CD 4.39Å; T247-K287 HydrophobicContact CG2-CG 4.11Å; T247-Q288 VanDerWaalsContact CG2-OE1 3.31Å; T247-Q288 PolarHBondContact OG1-NE2 3.41Å; T247-Q288 PolarHBondContact OG1-OE1 2.96Å; T247-Q288 VanDerWaalsContact OG1-OE1 3.06Å; T247-Y291 HydrophobicContact CG2-CD1 4.31Å; T247-Y291 HydrophobicContact CG2-CD2 3.65Å; T247-Y291 HydrophobicContact CG2-CE2 4.31Å; T247-Y291 HydrophobicContact CG2-CG 3.62Å
248E94Very high91.2Very high34 Ų3459.5 Ų59.516%0.15930%0.297CS..G310 helixtrans-89-19.6-179.5-68.2173149.600113.4L245 P246 S250 F251 F252 Y316 K320L245-E248 HydrophobicContact CB-CB 4.34Å; L245-E248 HydrophobicContact CB-CG 3.82Å; L245-E248 VanDerWaalsContact CB-OE2 3.26Å; L245-E248 WeakPolarHBondContact CB-OE2 3.43Å; L245-E248 HydrophobicContact CD1-CG 4.33Å; L245-E248 HydrophobicContact CG-CG 4.45Å; L245-E248 WeakPolarHBondContact CG-OE2 3.49Å; L245-E248 PolarHBondContact N-OE2 3.08Å; L245-E248 VanDerWaalsContact N-OE2 3.16Å; L245-E248 WeakPolarHBondContact O-CB 3.28Å; L245-E248 PolarHBondContact O-N 3.09Å; P246-E248 PolarHBondContact O-N 3.28Å; P246-E248 VanDerWaalsContact O-N 3.09Å; E248-S250 PolarHBondContact O-N 3.49Å; E248-S250 VanDerWaalsContact O-N 3.16Å; E248-F251 PolarHBondContact O-N 2.83Å; E248-F252 HydrophobicContact CB-CE2 3.78Å; E248-F252 HydrophobicContact CB-CZ 4.16Å; E248-F252 VanDerWaalsContact O-CD2 3.26Å; E248-F252 WeakPolarHBondContact O-CD2 3.47Å; E248-F252 WeakPolarHBondContact O-CE2 3.33Å; E248-Y316 PolarHBondContact OE2-OH 2.86Å; E248-K320 WeakPolarHBondContact OE1-CE 3.24Å; E248-K320 IonicContact OE1-NZ 3.52Å; E248-K320 PolarHBondContact OE1-NZ 3.47Å; E248-K320 WeakPolarHBondContact OE2-CE 3.16Å; E248-K320 IonicContact OE2-NZ 2.76Å; E248-K320 PolarHBondContact OE2-NZ 3.19Å
249I91.3Very high91.1Very high10 Ų1058.6 Ų58.65%0.05129%0.292CS..G310 helixtrans-53.6-41.7-177-63.6169.9000110.9A206 P246 F251 F252 L259 A299A206-I249 HydrophobicContact CB-CD1 3.82Å; A206-I249 HydrophobicContact CB-CG1 4.29Å; P246-I249 WeakPolarHBondContact O-CB 3.48Å; P246-I249 WeakPolarHBondContact O-CG1 3.36Å; P246-I249 PolarHBondContact O-N 3.35Å; I249-F251 PolarHBondContact O-N 2.82Å; I249-F252 PolarHBondContact O-N 3.14Å; I249-L259 HydrophobicContact CG2-CD1 4.35Å; I249-L259 HydrophobicContact CG2-CD2 3.57Å; I249-A299 HydrophobicContact CD1-CB 3.74Å; I249-A299 HydrophobicContact CG1-CB 4.17Å
250S88.3Confident91Very high74 Ų7462.3 Ų62.352%0.51731%0.311SS..G310 helixtrans-68.1-16.7-179.254.30000115.1E248 Y291E248-S250 PolarHBondContact O-N 3.49Å; E248-S250 VanDerWaalsContact O-N 3.16Å; S250-Y291 VanDerWaalsContact CB-OH 3.31Å; S250-Y291 WeakPolarHBondContact CB-OH 3.43Å; S250-Y291 PolarHBondContact OG-OH 3.12Å; S250-Y291 VanDerWaalsContact OG-OH 3.05Å
251F89.3Confident90.9Very high164 Ų16466.6 Ų66.672%0.71933%0.328SS*.G310 helixtrans-86.6-17178.1-59.5-60.1000112.7T247 E248 I249T247-F251 WeakPolarHBondContact O-CE2 3.35Å; E248-F251 PolarHBondContact O-N 2.83Å; I249-F251 PolarHBondContact O-N 2.82Å
252F88.2Confident90.9Very high32 Ų3266.3 Ų66.314%0.1433%0.327CS..SBendtrans-87.7141178.5-57.2-54.2000110.7L244 E248 I249 I254 L304 I307 Y311 Y316L244-F252 HydrophobicContact CD1-CD2 4.43Å; L244-F252 HydrophobicContact CD1-CE2 3.64Å; L244-F252 HydrophobicContact CD1-CZ 4.42Å; E248-F252 HydrophobicContact CB-CE2 3.78Å; E248-F252 HydrophobicContact CB-CZ 4.16Å; E248-F252 VanDerWaalsContact O-CD2 3.26Å; E248-F252 WeakPolarHBondContact O-CD2 3.47Å; E248-F252 WeakPolarHBondContact O-CE2 3.33Å; I249-F252 PolarHBondContact O-N 3.14Å; F252-I254 HydrophobicContact CB-CD1 3.5Å; F252-I254 HydrophobicContact CB-CG1 3.7Å; F252-I254 HydrophobicContact CD2-CD1 4.16Å; F252-I254 HydrophobicContact CG-CD1 4.18Å; F252-I254 PolarHBondContact O-N 3.04Å; F252-L304 HydrophobicContact CD2-CD2 4.27Å; F252-L304 HydrophobicContact CE2-CD2 4.14Å; F252-L304 HydrophobicContact CZ-CD2 4.39Å; F252-I307 HydrophobicContact CB-CD1 3.98Å; F252-I307 HydrophobicContact CD1-CD1 3.95Å; F252-I307 HydrophobicContact CG-CD1 4.08Å; F252-Y311 HydrophobicContact CD1-CE1 4.23Å; F252-Y311 WeakPolarHBondContact CD1-OH 3.5Å; F252-Y311 HydrophobicContact CE1-CE1 4.03Å; F252-Y311 WeakPolarHBondContact CE1-OH 3.36Å; F252-Y316 HydrophobicContact CE1-CD2 4.39Å; F252-Y316 HydrophobicContact CE2-CE2 4.43Å; F252-Y316 AromaticContact CZ-CD2 3.86Å; F252-Y316 HydrophobicContact CZ-CD2 3.86Å; F252-Y316 AromaticContact CZ-CE2 3.78Å; F252-Y316 HydrophobicContact CZ-CE2 3.78Å
253Q84.1Confident91Very high196 Ų19669.5 Ų69.592%0.91635%0.346SS*.  trans-76.756.4175.7-63.2-179.95.900111.3
254I86.6Confident91.2Very high22 Ų2278.6 Ų78.611%0.11339%0.386CS..  trans-93.4136.7-178.4-66.2167.4000109F252 D258 L259 I303 I307F252-I254 HydrophobicContact CB-CD1 3.5Å; F252-I254 HydrophobicContact CB-CG1 3.7Å; F252-I254 HydrophobicContact CD2-CD1 4.16Å; F252-I254 HydrophobicContact CG-CD1 4.18Å; F252-I254 PolarHBondContact O-N 3.04Å; I254-D258 HydrophobicContact CG2-CB 4.11Å; I254-L259 HydrophobicContact CG2-CD2 4.21Å; I254-L259 HydrophobicContact CG2-CG 4.22Å; I254-I303 HydrophobicContact CD1-CD1 4.13Å; I254-I303 HydrophobicContact CD1-CG1 3.98Å; I254-I303 HydrophobicContact CD1-CG2 3.9Å; I254-I303 HydrophobicContact CG1-CG1 4.45Å; I254-I303 HydrophobicContact CG2-CD1 3.48Å; I254-I303 VanDerWaalsContact CG2-CD1 3.48Å; I254-I303 HydrophobicContact CG2-CG1 3.72Å; I254-I307 HydrophobicContact CG1-CG1 4.34Å
255K86Confident91.2Very high149 Ų14988.8 Ų88.865%0.64842%0.424SS*.  trans-68139.2176.6-64.6177.8-177.51760110.2T257 D258K255-T257 PolarHBondContact O-N 3.05Å; K255-D258 PolarHBondContact O-N 3.12Å
256E83.6Confident91.3Very high176 Ų17688 Ų8882%0.82242%0.42SS*.G310 helixtrans-56.9-26176.6-67.1-173.2174.200113.3D258 L259E256-D258 PolarHBondContact O-N 2.9Å; E256-L259 PolarHBondContact O-N 3Å
257T85.1Confident91.3Very high121 Ų12190.9 Ų90.974%0.74243%0.433SS*.G310 helixtrans-66.1-23.8176.353.40000113.9K255K255-T257 PolarHBondContact O-N 3.05Å
258D87.9Confident91.4Very high67 Ų6793.4 Ų93.436%0.35845%0.451SS..G310 helixtrans-89.7-11.2-179.2-56.1-25.7000111.6I254 K255 E256 I303I254-D258 HydrophobicContact CG2-CB 4.11Å; K255-D258 PolarHBondContact O-N 3.12Å; E256-D258 PolarHBondContact O-N 2.9Å; D258-I303 HydrophobicContact CB-CD1 4.16Å; D258-I303 HydrophobicContact CB-CG1 4.26Å; D258-I303 WeakPolarHBondContact O-CD1 3.35Å
259L91.5Very high91.5Very high33 Ų3393.3 Ų93.317%0.17345%0.451CS..  trans-86.6145.7179-65.5172.4000111.2I249 I254 E256 I297 A299 I303I249-L259 HydrophobicContact CG2-CD1 4.35Å; I249-L259 HydrophobicContact CG2-CD2 3.57Å; I254-L259 HydrophobicContact CG2-CD2 4.21Å; I254-L259 HydrophobicContact CG2-CG 4.22Å; E256-L259 PolarHBondContact O-N 3Å; L259-I297 HydrophobicContact CB-CG2 3.96Å; L259-I297 HydrophobicContact CD1-CG2 4.1Å; L259-I297 HydrophobicContact CD2-CG2 3.97Å; L259-I297 HydrophobicContact CG-CG2 4.24Å; L259-A299 HydrophobicContact CD2-CB 4.11Å; L259-I303 HydrophobicContact CD2-CD1 3.53Å; L259-I303 HydrophobicContact CG-CD1 4.3Å
260L93.5Very high91.8Very high78 Ų7892.8 Ų92.841%0.40845%0.449SS..EExtended strand (participates in β ladder)trans-106.2142.5-179.1-59.9175.5000110.2I297 K298 Q300L260-I297 CarbonylContact O-C 3.53Å; L260-I297 WeakPolarHBondContact O-CA 3.32Å; L260-K298 HydrophobicContact CB-CG 3.79Å; L260-K298 PolarHBondContact N-O 3.35Å; L260-K298 PolarHBondContact O-N 3.49Å; L260-Q300 HydrophobicContact CD1-CG 4.41Å
261K95.2Very high92.1Very high178 Ų17893 Ų9377%0.77444%0.444SS*.EExtended strand (participates in β ladder)trans-82.3148.6173.7-65.1-174.7179.1-177.60111.5E296 K298K261-E296 CarbonylContact C-O 3.58Å; K261-E296 WeakPolarHBondContact CA-O 3.27Å; K261-K298 WeakPolarHBondContact O-CE 3.47Å
262L96Very high92.3Very high15 Ų1588.3 Ų88.38%0.07943%0.429CS..PPolyproline II helixtrans-67134.3171.1-66.9-168.6000111.4P208 D266 K267 L270 L292 E296 K298P208-L262 HydrophobicContact CG-CD2 4.03Å; L262-D266 HydrophobicContact CB-CB 4.19Å; L262-D266 HydrophobicContact CD2-CB 4.05Å; L262-K267 HydrophobicContact CB-CG 4.35Å; L262-K267 HydrophobicContact CD1-CG 4.36Å; L262-L270 HydrophobicContact CD1-CD1 3.87Å; L262-L292 HydrophobicContact CD1-CB 4.41Å; L262-L292 WeakPolarHBondContact CD1-O 3.08Å; L262-E296 PolarHBondContact N-O 3.08Å; L262-K298 HydrophobicContact CD2-CB 3.73Å; L262-K298 HydrophobicContact CD2-CD 3.86Å; L262-K298 HydrophobicContact CD2-CG 3.93Å
263T96.4Very high92.6Very high67 Ų6786.8 Ų86.841%0.41142%0.422SS..PPolyproline II helixtrans-84.2169.5171.469.60000111.6R265 D266 K267T263-R265 PolarHBondContact O-N 3.12Å; T263-R265 PolarHBondContact OG1-N 2.75Å; T263-D266 WeakPolarHBondContact CB-OD2 3.41Å; T263-D266 WeakPolarHBondContact CG2-OD2 3.34Å; T263-D266 PolarHBondContact N-OD2 3.26Å; T263-D266 WeakPolarHBondContact O-CB 3.48Å; T263-D266 PolarHBondContact O-N 3.45Å; T263-D266 PolarHBondContact OG1-N 3.38Å; T263-D266 PolarHBondContact OG1-OD2 2.97Å; T263-K267 PolarHBondContact O-N 3.12Å; T263-K267 VanDerWaalsContact O-N 3.15Å
264K96.4Very high93.1Very high192 Ų19278.9 Ų78.984%0.83539%0.386SS*.Hα-helixtrans-59.2-35.4172-66.6-176.1179.4-1790112.5S268K264-S268 PolarHBondContact O-N 3.24Å; K264-S268 VanDerWaalsContact O-N 3.11Å
265R96Very high93.4Very high216 Ų21686.4 Ų86.482%0.81542%0.418SS*.Hα-helixtrans-68.5-41.5178.4-66.7-177.6-175.6163.11.7111.2T263 S268 L269T263-R265 PolarHBondContact O-N 3.12Å; T263-R265 PolarHBondContact OG1-N 2.75Å; R265-S268 WeakPolarHBondContact O-CB 3.41Å; R265-S268 PolarHBondContact O-N 3.33Å; R265-L269 PolarHBondContact O-N 3.17Å
266D96.8Very high93.6Very high4 Ų483.7 Ų83.72%0.02140%0.404CS..Hα-helixtrans-56.7-50.5174.9-70.4-36.4000111.5P208 H209 L262 T263 S268 L269 L270 K298P208-D266 HydrophobicContact CG-CB 3.9Å; H209-D266 IonicContact CD2-OD1 2.99Å; L262-D266 HydrophobicContact CB-CB 4.19Å; L262-D266 HydrophobicContact CD2-CB 4.05Å; T263-D266 WeakPolarHBondContact CB-OD2 3.41Å; T263-D266 WeakPolarHBondContact CG2-OD2 3.34Å; T263-D266 PolarHBondContact N-OD2 3.26Å; T263-D266 WeakPolarHBondContact O-CB 3.48Å; T263-D266 PolarHBondContact O-N 3.45Å; T263-D266 PolarHBondContact OG1-N 3.38Å; T263-D266 PolarHBondContact OG1-OD2 2.97Å; D266-S268 VanDerWaalsContact C-N 3.31Å; D266-S268 PolarHBondContact O-N 3.37Å; D266-L269 WeakPolarHBondContact O-CB 3.27Å; D266-L269 PolarHBondContact O-N 3.48Å; D266-L269 VanDerWaalsContact O-N 3.17Å; D266-L270 WeakPolarHBondContact O-CG 3.35Å; D266-L270 PolarHBondContact O-N 3.49Å; D266-K298 IonicContact OD1-NZ 2.61Å; D266-K298 PolarHBondContact OD1-NZ 3.4Å; D266-K298 IonicContact OD2-NZ 2.73Å; D266-K298 PolarHBondContact OD2-NZ 3.33Å
267K96.7Very high93.9Very high61 Ų6179.4 Ų79.427%0.26539%0.393SS..Hα-helixtrans-60.9-39.7177.1-63.6-177.6-172.3-173.80112.1L262 T263 L270 N271 E296L262-K267 HydrophobicContact CB-CG 4.35Å; L262-K267 HydrophobicContact CD1-CG 4.36Å; T263-K267 PolarHBondContact O-N 3.12Å; T263-K267 VanDerWaalsContact O-N 3.15Å; K267-L270 PolarHBondContact O-N 2.82Å; K267-N271 WeakPolarHBondContact O-CB 3.36Å; K267-N271 VanDerWaalsContact O-CG 3.29Å; K267-N271 PolarHBondContact O-N 3.16Å; K267-N271 PolarHBondContact O-ND2 3.16Å; K267-N271 VanDerWaalsContact O-ND2 3.09Å; K267-E296 WeakPolarHBondContact CE-OE1 3.38Å; K267-E296 IonicContact NZ-OE1 3.04Å; K267-E296 PolarHBondContact NZ-OE1 2.89Å; K267-E296 IonicContact NZ-OE2 3.69Å; K267-E296 PolarHBondContact NZ-OE2 3.08Å
268S96.9Very high94.1Very high72 Ų7276.4 Ų76.450%0.50338%0.375SS..Hα-helixtrans-62.8-40.6175.9-178.30000112.4K264 R265 D266 T272K264-S268 PolarHBondContact O-N 3.24Å; K264-S268 VanDerWaalsContact O-N 3.11Å; R265-S268 WeakPolarHBondContact O-CB 3.41Å; R265-S268 PolarHBondContact O-N 3.33Å; D266-S268 VanDerWaalsContact C-N 3.31Å; D266-S268 PolarHBondContact O-N 3.37Å; S268-T272 WeakPolarHBondContact O-CB 3.3Å; S268-T272 PolarHBondContact O-N 3.08Å; S268-T272 PolarHBondContact O-OG1 3.28Å
269L95.9Very high94.1Very high32 Ų3273.2 Ų73.217%0.16836%0.358CS..Hα-helixtrans-64-48.9175.6179.457.2000111.2P208 N212 R265 D266 N271 T272 M273P208-L269 HydrophobicContact CB-CB 4.49Å; P208-L269 HydrophobicContact CB-CD2 3.97Å; P208-L269 HydrophobicContact CB-CG 4.33Å; N212-L269 HydrophobicContact CB-CD1 4.48Å; N212-L269 HydrophobicContact CB-CD2 4.27Å; R265-L269 PolarHBondContact O-N 3.17Å; D266-L269 WeakPolarHBondContact O-CB 3.27Å; D266-L269 PolarHBondContact O-N 3.48Å; D266-L269 VanDerWaalsContact O-N 3.17Å; L269-N271 PolarHBondContact O-N 3.18Å; L269-T272 WeakPolarHBondContact O-CB 3.34Å; L269-T272 PolarHBondContact O-N 2.68Å; L269-T272 VanDerWaalsContact O-N 3.08Å; L269-M273 HydrophobicContact CD1-CG 4.37Å; L269-M273 HydrophobicContact CD1-SD 4.39Å; L269-M273 HydrophobicContact CG-SD 4.15Å; L269-M273 WeakPolarHBondContact O-CG 3.41Å; L269-M273 PolarHBondContact O-N 2.79Å
270L96.5Very high93.9Very high0 Ų076.5 Ų76.50%037%0.372CS..Hα-helixtrans-57.6-46.1176.8-67.7176.9000112.1P208 L262 D266 K267 T272 M273 L274 I289 L292 L293P208-L270 HydrophobicContact CB-CD2 3.65Å; P208-L270 HydrophobicContact CB-CG 3.8Å; P208-L270 HydrophobicContact CG-CD1 3.83Å; P208-L270 HydrophobicContact CG-CD2 3.75Å; P208-L270 HydrophobicContact CG-CG 3.65Å; L262-L270 HydrophobicContact CD1-CD1 3.87Å; D266-L270 WeakPolarHBondContact O-CG 3.35Å; D266-L270 PolarHBondContact O-N 3.49Å; K267-L270 PolarHBondContact O-N 2.82Å; L270-T272 VanDerWaalsContact C-N 3.27Å; L270-T272 PolarHBondContact O-N 3.16Å; L270-M273 WeakPolarHBondContact O-CB 3.44Å; L270-M273 PolarHBondContact O-N 3.4Å; L270-M273 VanDerWaalsContact O-N 3.12Å; L270-L274 PolarHBondContact O-N 2.91Å; L270-I289 HydrophobicContact CB-CG2 4.24Å; L270-I289 HydrophobicContact CD2-CG1 4.32Å; L270-I289 HydrophobicContact CD2-CG2 4.09Å; L270-L292 HydrophobicContact CD1-CB 3.8Å; L270-L292 HydrophobicContact CD1-CD1 4.42Å; L270-L292 HydrophobicContact CD2-CD1 3.97Å; L270-L293 HydrophobicContact CB-CD2 4.01Å; L270-L293 HydrophobicContact CB-CG 4.25Å; L270-L293 HydrophobicContact CD1-CD2 3.73Å; L270-L293 HydrophobicContact CD1-CG 3.86Å
271N95.9Very high93.7Very high77 Ų7780.7 Ų80.741%0.41239%0.389SS..Hα-helixtrans-62.8-34.3176.5-74.5-35.5000112.6K267 L269 K275K267-N271 WeakPolarHBondContact O-CB 3.36Å; K267-N271 VanDerWaalsContact O-CG 3.29Å; K267-N271 PolarHBondContact O-N 3.16Å; K267-N271 PolarHBondContact O-ND2 3.16Å; K267-N271 VanDerWaalsContact O-ND2 3.09Å; L269-N271 PolarHBondContact O-N 3.18Å; N271-K275 WeakPolarHBondContact O-CG 3.15Å; N271-K275 PolarHBondContact O-N 3.11Å
272T94.3Very high93.5Very high66 Ų6674.4 Ų74.441%0.40536%0.363SS..Hα-helixtrans-70-37.7174.8-57.70000111.2S268 L269 L270 K275S268-T272 WeakPolarHBondContact O-CB 3.3Å; S268-T272 PolarHBondContact O-N 3.08Å; S268-T272 PolarHBondContact O-OG1 3.28Å; L269-T272 WeakPolarHBondContact O-CB 3.34Å; L269-T272 PolarHBondContact O-N 2.68Å; L269-T272 VanDerWaalsContact O-N 3.08Å; L270-T272 VanDerWaalsContact C-N 3.27Å; L270-T272 PolarHBondContact O-N 3.16Å; T272-K275 PolarHBondContact O-N 3.35Å
273M93.8Very high93.4Very high0 Ų078.2 Ų78.20%039%0.391CS..Hα-helixtrans-64.4-45.8174.7-69.7174.470.800111.2L211 N212 L269 L270 K275 R276 I279 I289L211-M273 HydrophobicContact CB-CE 3.86Å; N212-M273 HydrophobicContact CB-CE 4.24Å; N212-M273 HydrophobicContact CB-SD 3.91Å; L269-M273 HydrophobicContact CD1-CG 4.37Å; L269-M273 HydrophobicContact CD1-SD 4.39Å; L269-M273 HydrophobicContact CG-SD 4.15Å; L269-M273 WeakPolarHBondContact O-CG 3.41Å; L269-M273 PolarHBondContact O-N 2.79Å; L270-M273 WeakPolarHBondContact O-CB 3.44Å; L270-M273 PolarHBondContact O-N 3.4Å; L270-M273 VanDerWaalsContact O-N 3.12Å; M273-K275 PolarHBondContact O-N 3.38Å; M273-K275 VanDerWaalsContact O-N 3.12Å; M273-R276 WeakPolarHBondContact O-CB 3.46Å; M273-R276 PolarHBondContact O-N 3.11Å; M273-I279 HydrophobicContact CB-CD1 3.7Å; M273-I279 HydrophobicContact CE-CD1 4.1Å; M273-I279 HydrophobicContact CG-CD1 4.3Å; M273-I279 WeakPolarHBondContact O-CD1 3.48Å; M273-I289 HydrophobicContact CB-CD1 4.21Å; M273-I289 HydrophobicContact CE-CD1 4.21Å
274L93.8Very high93.2Very high31 Ų3179.4 Ų79.416%0.16239%0.394CS..Hα-helixtrans-57-28.7176.8-74.1175.9000113.5L270 R276 Q280 L286 I289 L293L270-L274 PolarHBondContact O-N 2.91Å; L274-R276 PolarHBondContact O-N 3.47Å; L274-Q280 PolarHBondContact O-NE2 3Å; L274-L286 HydrophobicContact CD2-CD1 3.81Å; L274-I289 HydrophobicContact CD1-CG2 4.06Å; L274-I289 HydrophobicContact CD2-CB 4.29Å; L274-I289 HydrophobicContact CD2-CG2 3.59Å; L274-I289 HydrophobicContact CG-CG2 3.65Å; L274-L293 HydrophobicContact CD1-CD1 3.64Å
275K92.5Very high93.2Very high179 Ų17970.4 Ų70.478%0.77835%0.354SS*.THydrogen-bonded Turntrans-73.1-12.7177.8-68.8173.1-176.7-175.60113.9N271 T272 M273N271-K275 WeakPolarHBondContact O-CG 3.15Å; N271-K275 PolarHBondContact O-N 3.11Å; T272-K275 PolarHBondContact O-N 3.35Å; M273-K275 PolarHBondContact O-N 3.38Å; M273-K275 VanDerWaalsContact O-N 3.12Å
276R91Very high93.1Very high93 Ų9362.2 Ų62.235%0.35133%0.327SS..  trans-79.7126.3-179-61.5179.2-179.9160.31.1109.9N212 M273 L274 T278 I279 Q280N212-R276 PolarHBondContact OD1-NH1 3.24Å; M273-R276 WeakPolarHBondContact O-CB 3.46Å; M273-R276 PolarHBondContact O-N 3.11Å; L274-R276 PolarHBondContact O-N 3.47Å; R276-T278 PolarHBondContact O-N 3.45Å; R276-I279 HydrophobicContact CB-CB 4.44Å; R276-I279 HydrophobicContact CB-CD1 4.28Å; R276-I279 HydrophobicContact CB-CG1 4.16Å; R276-I279 PolarHBondContact O-N 3.41Å; R276-I279 VanDerWaalsContact O-N 3.08Å; R276-Q280 PolarHBondContact O-N 3.05Å
277S89.7Confident93.1Very high86 Ų8668.4 Ų68.460%0.60135%0.354SS*.Hα-helixtrans-56.3-38.4177.952.90000112.6I279 Q280 H281S277-I279 PolarHBondContact O-N 2.8Å; S277-Q280 WeakPolarHBondContact O-CB 3.28Å; S277-Q280 PolarHBondContact O-N 3.32Å; S277-H281 PolarHBondContact O-CD2 2.94Å
278T89.6Confident93.1Very high57 Ų5765.7 Ų65.735%0.3534%0.342SS..Hα-helixtrans-59.8-32.5178.356.50000113.5Y219 R276Y219-T278 HydrophobicContact CD1-CG2 4.2Å; R276-T278 PolarHBondContact O-N 3.45Å
279I88.3Confident93.1Very high0 Ų062.3 Ų62.30%032%0.318CS..Hα-helixtrans-79.6-32-179.1-65.4-173.2000110.9Y219 M273 R276 S277 H281 E282 L285 I289Y219-I279 HydrophobicContact CE2-CG1 4.47Å; M273-I279 HydrophobicContact CB-CD1 3.7Å; M273-I279 HydrophobicContact CE-CD1 4.1Å; M273-I279 HydrophobicContact CG-CD1 4.3Å; M273-I279 WeakPolarHBondContact O-CD1 3.48Å; R276-I279 HydrophobicContact CB-CB 4.44Å; R276-I279 HydrophobicContact CB-CD1 4.28Å; R276-I279 HydrophobicContact CB-CG1 4.16Å; R276-I279 PolarHBondContact O-N 3.41Å; R276-I279 VanDerWaalsContact O-N 3.08Å; S277-I279 PolarHBondContact O-N 2.8Å; I279-H281 PolarHBondContact O-N 3.5Å; I279-E282 PolarHBondContact O-N 3.13Å; I279-E282 VanDerWaalsContact O-N 3.12Å; I279-L285 HydrophobicContact CB-CD2 4.37Å; I279-L285 HydrophobicContact CD1-CD2 4.05Å; I279-L285 HydrophobicContact CG1-CD2 3.81Å; I279-L285 HydrophobicContact CG2-CD2 4.02Å; I279-L285 HydrophobicContact CG2-CG 4.26Å; I279-I289 HydrophobicContact CD1-CD1 4.45Å; I279-I289 HydrophobicContact CG2-CD1 3.59Å
280Q87.6Confident93.2Very high103 Ų10364.4 Ų64.448%0.48133%0.329SS..Hα-helixtrans-63.2-27.7177.5-68.3-67.5-22.600112.8L274 R276 S277L274-Q280 PolarHBondContact O-NE2 3Å; R276-Q280 PolarHBondContact O-N 3.05Å; S277-Q280 WeakPolarHBondContact O-CB 3.28Å; S277-Q280 PolarHBondContact O-N 3.32Å
281H89Confident93.2Very high165 Ų16567 Ų6776%0.76434%0.339SS*.THydrogen-bonded Turntrans-88.4-7.4177.2-60.5-60.5000113.9S277 I279S277-H281 PolarHBondContact O-CD2 2.94Å; I279-H281 PolarHBondContact O-N 3.5Å
282E91.4Very high93.2Very high46 Ų4663.3 Ų63.322%0.21532%0.32CS..  trans-103.989.5-177.2-170.784.5-163.900110.5K218 Y219 I279 I284 L285 L286K218-E282 WeakPolarHBondContact CE-OE2 3.2Å; K218-E282 IonicContact NZ-OE1 2.99Å; K218-E282 PolarHBondContact NZ-OE1 3.03Å; K218-E282 IonicContact NZ-OE2 3.33Å; K218-E282 PolarHBondContact NZ-OE2 2.98Å; Y219-E282 WeakPolarHBondContact OH-CB 3.18Å; Y219-E282 PolarHBondContact OH-OE2 3.44Å; Y219-E282 VanDerWaalsContact OH-OE2 3.04Å; I279-E282 PolarHBondContact O-N 3.13Å; I279-E282 VanDerWaalsContact O-N 3.12Å; E282-I284 VanDerWaalsContact C-N 3.32Å; E282-I284 PolarHBondContact O-N 3.36Å; E282-L285 HydrophobicContact CB-CB 4.07Å; E282-L285 HydrophobicContact CG-CB 3.61Å; E282-L285 PolarHBondContact O-N 3.15Å; E282-L285 VanDerWaalsContact O-N 3.15Å; E282-L286 WeakPolarHBondContact O-CB 3.27Å; E282-L286 PolarHBondContact O-N 3.21Å
283S92.9Very high93.3Very high95 Ų9562.3 Ų62.366%0.66431%0.312SS*.Hα-helixtrans-56.2-40.8-173.161.20000113.9K287S283-K287 WeakPolarHBondContact O-CB 3.36Å; S283-K287 PolarHBondContact O-N 2.81Å
284I92.9Very high93.4Very high93 Ų9370.8 Ų70.848%0.47735%0.349SS..Hα-helixtrans-62.3-49.4179.1-61.7173.5000110E282 K287 Q288E282-I284 VanDerWaalsContact C-N 3.32Å; E282-I284 PolarHBondContact O-N 3.36Å; I284-K287 WeakPolarHBondContact O-CB 3.35Å; I284-K287 PolarHBondContact O-N 2.96Å; I284-Q288 WeakPolarHBondContact O-CG 3.32Å; I284-Q288 PolarHBondContact O-N 2.99Å; I284-Q288 VanDerWaalsContact O-N 3.14Å
285L94.8Very high93.5Very high2 Ų271.1 Ų71.11%0.0135%0.352CS..Hα-helixtrans-67.3-41.7-178.5-179.662.3000111.7L211 F214 C215 Y219 I279 E282 K287 Q288 I289L211-L285 HydrophobicContact CB-CD1 4.36Å; L211-L285 HydrophobicContact CD1-CD1 4.3Å; L211-L285 HydrophobicContact CD2-CD1 3.95Å; L211-L285 HydrophobicContact CG-CD1 4.45Å; F214-L285 HydrophobicContact CD1-CD1 4.42Å; F214-L285 HydrophobicContact CE1-CD2 4.5Å; C215-L285 VanDerWaalsContact SG-CD2 3.55Å; Y219-L285 HydrophobicContact CE2-CD2 4.41Å; I279-L285 HydrophobicContact CB-CD2 4.37Å; I279-L285 HydrophobicContact CD1-CD2 4.05Å; I279-L285 HydrophobicContact CG1-CD2 3.81Å; I279-L285 HydrophobicContact CG2-CD2 4.02Å; I279-L285 HydrophobicContact CG2-CG 4.26Å; E282-L285 HydrophobicContact CB-CB 4.07Å; E282-L285 HydrophobicContact CG-CB 3.61Å; E282-L285 PolarHBondContact O-N 3.15Å; E282-L285 VanDerWaalsContact O-N 3.15Å; L285-K287 VanDerWaalsContact C-N 3.29Å; L285-K287 PolarHBondContact O-N 3.1Å; L285-Q288 PolarHBondContact O-N 3.09Å; L285-Q288 VanDerWaalsContact O-N 3.14Å; L285-I289 HydrophobicContact CD1-CD1 4.24Å; L285-I289 HydrophobicContact CD1-CG1 4.4Å; L285-I289 HydrophobicContact CG-CD1 3.94Å; L285-I289 WeakPolarHBondContact O-CG1 3.42Å; L285-I289 PolarHBondContact O-N 3.41Å
286L95.6Very high93.6Very high44 Ų4466.8 Ų66.823%0.2334%0.335CS..Hα-helixtrans-58-44175.4-166.988.5000111.1L274 E282 Q288 I289 N290L274-L286 HydrophobicContact CD2-CD1 3.81Å; E282-L286 WeakPolarHBondContact O-CB 3.27Å; E282-L286 PolarHBondContact O-N 3.21Å; L286-Q288 VanDerWaalsContact C-N 3.33Å; L286-Q288 PolarHBondContact O-N 3.36Å; L286-I289 PolarHBondContact O-N 2.96Å; L286-N290 WeakPolarHBondContact O-CB 3.49Å; L286-N290 PolarHBondContact O-N 3Å; L286-N290 PolarHBondContact O-ND2 3.08Å
287K96.3Very high93.8Very high135 Ų13565.1 Ų65.159%0.58733%0.332SS*.Hα-helixtrans-58.1-44.4175.2-173-176.8179.7-178.90111.4T247 S283 I284 L285 Y291T247-K287 HydrophobicContact CG2-CD 4.39Å; T247-K287 HydrophobicContact CG2-CG 4.11Å; S283-K287 WeakPolarHBondContact O-CB 3.36Å; S283-K287 PolarHBondContact O-N 2.81Å; I284-K287 WeakPolarHBondContact O-CB 3.35Å; I284-K287 PolarHBondContact O-N 2.96Å; L285-K287 VanDerWaalsContact C-N 3.29Å; L285-K287 PolarHBondContact O-N 3.1Å; K287-Y291 VanDerWaalsContact O-CB 3.3Å; K287-Y291 WeakPolarHBondContact O-CB 3.39Å; K287-Y291 PolarHBondContact O-N 2.95Å
288Q97.2Very high94Very high4 Ų462.4 Ų62.42%0.01931%0.309CS..Hα-helixtrans-65.5-43.1178.5-60-39.2-48.900112.7L211 L241 L245 P246 T247 I284 L285 L286 Y291 L292L211-Q288 HydrophobicContact CD1-CB 4.19Å; L211-Q288 HydrophobicContact CD2-CB 4.45Å; L241-Q288 HydrophobicContact CD2-CG 4.28Å; L245-Q288 HydrophobicContact CD2-CG 4.29Å; P246-Q288 HydrophobicContact CG-CB 4.06Å; T247-Q288 VanDerWaalsContact CG2-OE1 3.31Å; T247-Q288 PolarHBondContact OG1-NE2 3.41Å; T247-Q288 PolarHBondContact OG1-OE1 2.96Å; T247-Q288 VanDerWaalsContact OG1-OE1 3.06Å; I284-Q288 WeakPolarHBondContact O-CG 3.32Å; I284-Q288 PolarHBondContact O-N 2.99Å; I284-Q288 VanDerWaalsContact O-N 3.14Å; L285-Q288 PolarHBondContact O-N 3.09Å; L285-Q288 VanDerWaalsContact O-N 3.14Å; L286-Q288 VanDerWaalsContact C-N 3.33Å; L286-Q288 PolarHBondContact O-N 3.36Å; Q288-Y291 PolarHBondContact O-N 3.33Å; Q288-L292 WeakPolarHBondContact O-CG 3.37Å; Q288-L292 PolarHBondContact O-N 3.19Å
289I96.7Very high94.3Very high0 Ų059.7 Ų59.70%029%0.293CS..Hα-helixtrans-64.1-46.6179.1-68.2167.6000110.9L211 L270 M273 L274 I279 L285 L286 Y291 L292 L293L211-I289 HydrophobicContact CD1-CG1 3.89Å; L270-I289 HydrophobicContact CB-CG2 4.24Å; L270-I289 HydrophobicContact CD2-CG1 4.32Å; L270-I289 HydrophobicContact CD2-CG2 4.09Å; M273-I289 HydrophobicContact CB-CD1 4.21Å; M273-I289 HydrophobicContact CE-CD1 4.21Å; L274-I289 HydrophobicContact CD1-CG2 4.06Å; L274-I289 HydrophobicContact CD2-CB 4.29Å; L274-I289 HydrophobicContact CD2-CG2 3.59Å; L274-I289 HydrophobicContact CG-CG2 3.65Å; I279-I289 HydrophobicContact CD1-CD1 4.45Å; I279-I289 HydrophobicContact CG2-CD1 3.59Å; L285-I289 HydrophobicContact CD1-CD1 4.24Å; L285-I289 HydrophobicContact CD1-CG1 4.4Å; L285-I289 HydrophobicContact CG-CD1 3.94Å; L285-I289 WeakPolarHBondContact O-CG1 3.42Å; L285-I289 PolarHBondContact O-N 3.41Å; L286-I289 PolarHBondContact O-N 2.96Å; I289-Y291 VanDerWaalsContact C-N 3.3Å; I289-Y291 PolarHBondContact O-N 3.3Å; I289-L292 PolarHBondContact O-N 3.33Å; I289-L293 HydrophobicContact CG2-CD1 4.23Å; I289-L293 PolarHBondContact O-N 3.04Å
290N96.4Very high94.6Very high76 Ų7663.9 Ų63.941%0.40631%0.313SS..Hα-helixtrans-63.6-38177.9-71.9-24.8000111.6L286 L293 F294L286-N290 WeakPolarHBondContact O-CB 3.49Å; L286-N290 PolarHBondContact O-N 3Å; L286-N290 PolarHBondContact O-ND2 3.08Å; N290-L293 PolarHBondContact O-N 3.28Å; N290-F294 VanDerWaalsContact O-CB 3.32Å; N290-F294 WeakPolarHBondContact O-CB 3.48Å; N290-F294 PolarHBondContact O-N 3.38Å
291Y96.6Very high94.9Very high55 Ų5559 Ų5922%0.21629%0.29CS..Hα-helixtrans-64.1-43.2175.9-171.6-86.8000112.4P246 T247 S250 K287 Q288 I289 L293 F294 T295P246-Y291 VanDerWaalsContact C-CD1 3.48Å; P246-Y291 HydrophobicContact CB-CD1 3.88Å; P246-Y291 WeakPolarHBondContact O-CD1 3.42Å; P246-Y291 WeakPolarHBondContact O-CE1 3.27Å; T247-Y291 HydrophobicContact CG2-CD1 4.31Å; T247-Y291 HydrophobicContact CG2-CD2 3.65Å; T247-Y291 HydrophobicContact CG2-CE2 4.31Å; T247-Y291 HydrophobicContact CG2-CG 3.62Å; S250-Y291 VanDerWaalsContact CB-OH 3.31Å; S250-Y291 WeakPolarHBondContact CB-OH 3.43Å; S250-Y291 PolarHBondContact OG-OH 3.12Å; S250-Y291 VanDerWaalsContact OG-OH 3.05Å; K287-Y291 VanDerWaalsContact O-CB 3.3Å; K287-Y291 WeakPolarHBondContact O-CB 3.39Å; K287-Y291 PolarHBondContact O-N 2.95Å; Q288-Y291 PolarHBondContact O-N 3.33Å; I289-Y291 VanDerWaalsContact C-N 3.3Å; I289-Y291 PolarHBondContact O-N 3.3Å; Y291-L293 VanDerWaalsContact C-N 3.35Å; Y291-L293 PolarHBondContact O-N 2.95Å; Y291-F294 PolarHBondContact O-N 3.43Å; Y291-T295 HydrophobicContact CD1-CG2 3.99Å; Y291-T295 HydrophobicContact CD2-CG2 4.4Å; Y291-T295 HydrophobicContact CE1-CG2 3.56Å; Y291-T295 HydrophobicContact CE2-CG2 4.05Å; Y291-T295 HydrophobicContact CG-CG2 4.4Å; Y291-T295 WeakPolarHBondContact O-CB 3.29Å; Y291-T295 PolarHBondContact O-N 2.9Å; Y291-T295 PolarHBondContact O-OG1 3.48Å
292L97.1Very high95.1Very high0 Ų053.8 Ų53.80%027%0.266CS..Hα-helixtrans-60.4-43.7173.9-73.8173.4000111.7P208 L211 P246 L262 L270 Q288 I289 E296 I297 K298P208-L292 HydrophobicContact CG-CD1 4.37Å; L211-L292 HydrophobicContact CD1-CD1 3.57Å; L211-L292 HydrophobicContact CG-CD1 4.45Å; P246-L292 HydrophobicContact CB-CD1 4.43Å; P246-L292 HydrophobicContact CB-CD2 3.67Å; P246-L292 HydrophobicContact CB-CG 3.68Å; P246-L292 HydrophobicContact CG-CD1 3.82Å; P246-L292 HydrophobicContact CG-CD2 3.75Å; P246-L292 HydrophobicContact CG-CG 3.63Å; L262-L292 HydrophobicContact CD1-CB 4.41Å; L262-L292 WeakPolarHBondContact CD1-O 3.08Å; L270-L292 HydrophobicContact CD1-CB 3.8Å; L270-L292 HydrophobicContact CD1-CD1 4.42Å; L270-L292 HydrophobicContact CD2-CD1 3.97Å; Q288-L292 WeakPolarHBondContact O-CG 3.37Å; Q288-L292 PolarHBondContact O-N 3.19Å; I289-L292 PolarHBondContact O-N 3.33Å; L292-E296 WeakPolarHBondContact O-CA 3.12Å; L292-E296 PolarHBondContact O-N 3.3Å; L292-I297 WeakPolarHBondContact CD2-O 3.34Å; L292-K298 HydrophobicContact CD2-CB 4.47Å
293L96.6Very high95.2Very high45 Ų4552.1 Ų52.124%0.23626%0.258CS..Hα-helixtrans-65.4-37.7177.7-73.8171.8000112.6L270 L274 I289 N290 Y291L270-L293 HydrophobicContact CB-CD2 4.01Å; L270-L293 HydrophobicContact CB-CG 4.25Å; L270-L293 HydrophobicContact CD1-CD2 3.73Å; L270-L293 HydrophobicContact CD1-CG 3.86Å; L274-L293 HydrophobicContact CD1-CD1 3.64Å; I289-L293 HydrophobicContact CG2-CD1 4.23Å; I289-L293 PolarHBondContact O-N 3.04Å; N290-L293 PolarHBondContact O-N 3.28Å; Y291-L293 VanDerWaalsContact C-N 3.35Å; Y291-L293 PolarHBondContact O-N 2.95Å
294F95.9Very high95.2Very high178 Ų17847.6 Ų47.678%0.78123%0.226SC*.Hα-helixtrans-72.9-47.9-179.3175.8-103.3000112.5N290 Y291N290-F294 VanDerWaalsContact O-CB 3.32Å; N290-F294 WeakPolarHBondContact O-CB 3.48Å; N290-F294 PolarHBondContact O-N 3.38Å; Y291-F294 PolarHBondContact O-N 3.43Å
295T94.5Very high95.1Very high37 Ų3745.5 Ų45.523%0.22722%0.216CC..Hα-helixtrans-80.7-23.6-17757.20000113.1Y291 I297Y291-T295 HydrophobicContact CD1-CG2 3.99Å; Y291-T295 HydrophobicContact CD2-CG2 4.4Å; Y291-T295 HydrophobicContact CE1-CG2 3.56Å; Y291-T295 HydrophobicContact CE2-CG2 4.05Å; Y291-T295 HydrophobicContact CG-CG2 4.4Å; Y291-T295 WeakPolarHBondContact O-CB 3.29Å; Y291-T295 PolarHBondContact O-N 2.9Å; Y291-T295 PolarHBondContact O-OG1 3.48Å; T295-I297 WeakPolarHBondContact O-CG1 3.48Å; T295-I297 PolarHBondContact O-N 3.46Å; T295-I297 VanDerWaalsContact O-N 3.11Å
296E95.5Very high94.8Very high89 Ų8948.9 Ų48.942%0.41624%0.237SC..  trans54.322.9-171.2-51.8-160.5162.400114.4K261 L262 K267 L292K261-E296 CarbonylContact C-O 3.58Å; K261-E296 WeakPolarHBondContact CA-O 3.27Å; L262-E296 PolarHBondContact N-O 3.08Å; K267-E296 WeakPolarHBondContact CE-OE1 3.38Å; K267-E296 IonicContact NZ-OE1 3.04Å; K267-E296 PolarHBondContact NZ-OE1 2.89Å; K267-E296 IonicContact NZ-OE2 3.69Å; K267-E296 PolarHBondContact NZ-OE2 3.08Å; L292-E296 WeakPolarHBondContact O-CA 3.12Å; L292-E296 PolarHBondContact O-N 3.3Å
297I94.5Very high94.6Very high57 Ų5749.7 Ų49.729%0.29224%0.241SC..EExtended strand (participates in β ladder)trans-111.3141179.6-68.7164.8000109.1L259 L260 L292 T295L259-I297 HydrophobicContact CB-CG2 3.96Å; L259-I297 HydrophobicContact CD1-CG2 4.1Å; L259-I297 HydrophobicContact CD2-CG2 3.97Å; L259-I297 HydrophobicContact CG-CG2 4.24Å; L260-I297 CarbonylContact O-C 3.53Å; L260-I297 WeakPolarHBondContact O-CA 3.32Å; L292-I297 WeakPolarHBondContact CD2-O 3.34Å; T295-I297 WeakPolarHBondContact O-CG1 3.48Å; T295-I297 PolarHBondContact O-N 3.46Å; T295-I297 VanDerWaalsContact O-N 3.11Å
298K95.4Very high94.3Very high29 Ų2946.5 Ų46.513%0.12623%0.228CC..EExtended strand (participates in β ladder)trans-132155.2169.763176.8177.1-179.70110.6A206 D207 L260 K261 L262 D266 L292A206-K298 WeakPolarHBondContact O-CA 3.41Å; D207-K298 HydrophobicContact CB-CB 3.66Å; D207-K298 HydrophobicContact CB-CD 3.83Å; D207-K298 HydrophobicContact CB-CG 4.24Å; L260-K298 HydrophobicContact CB-CG 3.79Å; L260-K298 PolarHBondContact N-O 3.35Å; L260-K298 PolarHBondContact O-N 3.49Å; K261-K298 WeakPolarHBondContact O-CE 3.47Å; L262-K298 HydrophobicContact CD2-CB 3.73Å; L262-K298 HydrophobicContact CD2-CD 3.86Å; L262-K298 HydrophobicContact CD2-CG 3.93Å; D266-K298 IonicContact OD1-NZ 2.61Å; D266-K298 PolarHBondContact OD1-NZ 3.4Å; D266-K298 IonicContact OD2-NZ 2.73Å; D266-K298 PolarHBondContact OD2-NZ 3.33Å; L292-K298 HydrophobicContact CD2-CB 4.47Å
299A95.7Very high94Very high1 Ų150 Ų501%0.00825%0.253CS..BIsolated β-bridgetrans-139.8144.4179.800000112A206 L244 I249 L259 I303A206-A299 CarbonylContact C-O 3.58Å; A206-A299 WeakPolarHBondContact CA-O 3.22Å; A206-A299 HydrophobicContact CB-CB 4.39Å; A206-A299 PolarHBondContact N-O 2.8Å; A206-A299 PolarHBondContact O-N 2.9Å; L244-A299 HydrophobicContact CD2-CB 4.2Å; I249-A299 HydrophobicContact CD1-CB 3.74Å; I249-A299 HydrophobicContact CG1-CB 4.17Å; L259-A299 HydrophobicContact CD2-CB 4.11Å; A299-I303 HydrophobicContact CB-CD1 3.98Å; A299-I303 HydrophobicContact CB-CG2 4.14Å
300Q94.5Very high93.8Very high88 Ų8852.7 Ų52.741%0.41127%0.268SS..  trans-86.7152.4171.9-66.6-178.3-14.400110L260 E302 I303L260-Q300 HydrophobicContact CD1-CG 4.41Å; Q300-E302 PolarHBondContact O-N 3.32Å; Q300-E302 VanDerWaalsContact O-N 3.15Å; Q300-I303 VanDerWaalsContact O-CB 3.25Å; Q300-I303 WeakPolarHBondContact O-CB 3.39Å; Q300-I303 WeakPolarHBondContact O-CG2 3.32Å; Q300-I303 PolarHBondContact O-N 3.15Å
301L93.9Very high93.7Very high0 Ų050.5 Ų50.50%025%0.254CS..G310 helixtrans-55-32.6177-80.8165.6000113.2I155 L203 F204 D205 L244 I303 L304I155-L301 HydrophobicContact CD1-CB 3.95Å; I155-L301 HydrophobicContact CG1-CB 3.9Å; I155-L301 HydrophobicContact CG1-CD1 4.2Å; L203-L301 HydrophobicContact CD1-CD2 3.69Å; L203-L301 HydrophobicContact CD2-CD1 4.27Å; L203-L301 HydrophobicContact CD2-CD2 4.19Å; L203-L301 HydrophobicContact CG-CD1 3.91Å; L203-L301 HydrophobicContact CG-CD2 3.72Å; F204-L301 WeakPolarHBondContact O-CD2 3.3Å; F204-L301 WeakPolarHBondContact O-CG 3.45Å; D205-L301 PolarHBondContact OD1-N 3.4Å; L244-L301 HydrophobicContact CB-CD2 3.81Å; L301-I303 PolarHBondContact O-N 2.89Å; L301-I303 VanDerWaalsContact O-N 3.1Å; L301-L304 WeakPolarHBondContact O-CB 3.39Å; L301-L304 PolarHBondContact O-N 2.84Å
302E92.9Very high93.6Very high55 Ų5547.9 Ų47.926%0.25724%0.244SC..G310 helixtrans-59.7-19.8177.9-70.185.2171.200113.6K152 T154 I155 Q300 L304 N305K152-E302 WeakPolarHBondContact CD-OE1 3.43Å; K152-E302 IonicContact NZ-OE1 2.72Å; K152-E302 IonicContact NZ-OE2 2.84Å; K152-E302 PolarHBondContact NZ-OE2 2.92Å; T154-E302 PolarHBondContact OG1-OE1 3.16Å; I155-E302 HydrophobicContact CD1-CG 4.06Å; Q300-E302 PolarHBondContact O-N 3.32Å; Q300-E302 VanDerWaalsContact O-N 3.15Å; E302-L304 PolarHBondContact O-N 3.4Å; E302-N305 VanDerWaalsContact O-CB 3.28Å; E302-N305 WeakPolarHBondContact O-CB 3.35Å; E302-N305 PolarHBondContact O-N 3.3Å; E302-N305 PolarHBondContact O-ND2 2.76Å
303I93.1Very high93.4Very high11 Ų1147.9 Ų47.96%0.05624%0.244CC..G310 helixtrans-60.9-27.4178-152.3165.9000112.3L244 I254 D258 L259 A299 Q300 L301 N305 T306L244-I303 HydrophobicContact CD2-CG2 4Å; I254-I303 HydrophobicContact CD1-CD1 4.13Å; I254-I303 HydrophobicContact CD1-CG1 3.98Å; I254-I303 HydrophobicContact CD1-CG2 3.9Å; I254-I303 HydrophobicContact CG1-CG1 4.45Å; I254-I303 HydrophobicContact CG2-CD1 3.48Å; I254-I303 VanDerWaalsContact CG2-CD1 3.48Å; I254-I303 HydrophobicContact CG2-CG1 3.72Å; D258-I303 HydrophobicContact CB-CD1 4.16Å; D258-I303 HydrophobicContact CB-CG1 4.26Å; D258-I303 WeakPolarHBondContact O-CD1 3.35Å; L259-I303 HydrophobicContact CD2-CD1 3.53Å; L259-I303 HydrophobicContact CG-CD1 4.3Å; A299-I303 HydrophobicContact CB-CD1 3.98Å; A299-I303 HydrophobicContact CB-CG2 4.14Å; Q300-I303 VanDerWaalsContact O-CB 3.25Å; Q300-I303 WeakPolarHBondContact O-CB 3.39Å; Q300-I303 WeakPolarHBondContact O-CG2 3.32Å; Q300-I303 PolarHBondContact O-N 3.15Å; L301-I303 PolarHBondContact O-N 2.89Å; L301-I303 VanDerWaalsContact O-N 3.1Å; I303-N305 PolarHBondContact O-N 3.1Å; I303-N305 VanDerWaalsContact O-N 3.15Å; I303-T306 WeakPolarHBondContact O-CB 3.44Å; I303-T306 PolarHBondContact O-N 2.83Å; I303-T306 PolarHBondContact O-OG1 3.36Å
304L92.9Very high93.3Very high0 Ų049.3 Ų49.30%025%0.251CS..G310 helixtrans-63-22.8177.4-66.3179.1000112.2L244 F252 L301 E302 T306 I307 Y311 L312 Y316L244-L304 HydrophobicContact CD1-CD1 4.4Å; L244-L304 HydrophobicContact CD1-CD2 4.06Å; L244-L304 HydrophobicContact CD1-CG 4.5Å; F252-L304 HydrophobicContact CD2-CD2 4.27Å; F252-L304 HydrophobicContact CE2-CD2 4.14Å; F252-L304 HydrophobicContact CZ-CD2 4.39Å; L301-L304 WeakPolarHBondContact O-CB 3.39Å; L301-L304 PolarHBondContact O-N 2.84Å; E302-L304 PolarHBondContact O-N 3.4Å; L304-T306 PolarHBondContact O-N 2.9Å; L304-I307 HydrophobicContact CD2-CD1 4.43Å; L304-I307 PolarHBondContact O-N 2.72Å; L304-Y311 HydrophobicContact CB-CD1 4.13Å; L304-Y311 HydrophobicContact CD2-CD1 4.1Å; L304-Y311 HydrophobicContact CD2-CE1 3.98Å; L304-Y311 WeakPolarHBondContact O-CB 3.34Å; L304-L312 HydrophobicContact CD1-CD1 3.77Å; L304-Y316 HydrophobicContact CD1-CD1 3.96Å; L304-Y316 HydrophobicContact CD1-CD2 4.3Å; L304-Y316 HydrophobicContact CD1-CE1 4.27Å; L304-Y316 HydrophobicContact CD1-CG 3.98Å
305N90.3Very high93.2Very high49 Ų4944.8 Ų44.826%0.26223%0.233SC..G310 helixtrans-73.5-15176.2-58.9-42.5000113.2K158 E302 I303 I307 H308 S309K158-N305 WeakPolarHBondContact CE-OD1 3.23Å; K158-N305 PolarHBondContact NZ-OD1 3.04Å; E302-N305 VanDerWaalsContact O-CB 3.28Å; E302-N305 WeakPolarHBondContact O-CB 3.35Å; E302-N305 PolarHBondContact O-N 3.3Å; E302-N305 PolarHBondContact O-ND2 2.76Å; I303-N305 PolarHBondContact O-N 3.1Å; I303-N305 VanDerWaalsContact O-N 3.15Å; N305-I307 VanDerWaalsContact C-N 3.3Å; N305-H308 CarbonylContact O-C 3.45Å; N305-S309 PolarHBondContact OD1-O 3.33Å
306T89.8Confident93.2Very high73 Ų7343.4 Ų43.445%0.44822%0.223SC..G310 helixtrans-75.7-22.4177.970.20000112.2I303 L304I303-T306 WeakPolarHBondContact O-CB 3.44Å; I303-T306 PolarHBondContact O-N 2.83Å; I303-T306 PolarHBondContact O-OG1 3.36Å; L304-T306 PolarHBondContact O-N 2.9Å
307I90.3Very high93.3Very high61 Ų6139.2 Ų39.231%0.31320%0.204SC..THydrogen-bonded Turntrans-69.9-57.9173.6-55.9170.8000108.8F252 I254 L304 N305 Y311F252-I307 HydrophobicContact CB-CD1 3.98Å; F252-I307 HydrophobicContact CD1-CD1 3.95Å; F252-I307 HydrophobicContact CG-CD1 4.08Å; I254-I307 HydrophobicContact CG1-CG1 4.34Å; L304-I307 HydrophobicContact CD2-CD1 4.43Å; L304-I307 PolarHBondContact O-N 2.72Å; N305-I307 VanDerWaalsContact C-N 3.3Å; I307-Y311 HydrophobicContact CB-CD1 4.47Å; I307-Y311 HydrophobicContact CB-CD2 4.38Å; I307-Y311 HydrophobicContact CB-CG 4.17Å; I307-Y311 HydrophobicContact CD1-CD1 3.71Å; I307-Y311 HydrophobicContact CD1-CE1 3.5Å; I307-Y311 VanDerWaalsContact CD1-CE1 3.5Å; I307-Y311 HydrophobicContact CD1-CE2 4.34Å; I307-Y311 HydrophobicContact CD1-CG 4.21Å; I307-Y311 HydrophobicContact CG2-CD2 3.93Å; I307-Y311 HydrophobicContact CG2-CE2 4.16Å; I307-Y311 HydrophobicContact CG2-CG 4.23Å
308H90.6Very high93.3Very high69 Ų6937.2 Ų37.232%0.31919%0.194SC..  trans-162.1164.5160.364.694.7000110N305 N310 Y311 E315N305-H308 CarbonylContact O-C 3.45Å; H308-N310 VanDerWaalsContact C-N 3.26Å; H308-N310 PolarHBondContact O-N 2.9Å; H308-Y311 AromaticContact CD2-CD2 3.7Å; H308-Y311 WeakPolarHBondContact CE1-CA 3.37Å; H308-Y311 PolarHBondContact CE1-N 2.86Å; H308-Y311 PolarHBondContact ND1-N 2.83Å; H308-Y311 WeakPolarHBondContact NE2-CA 3.25Å; H308-Y311 WeakPolarHBondContact NE2-CB 3.22Å; H308-Y311 AromaticContact NE2-CD2 3.29Å; H308-Y311 VanDerWaalsContact NE2-CD2 3.29Å; H308-Y311 WeakPolarHBondContact NE2-CD2 3.38Å; H308-Y311 AromaticContact NE2-CG 3.82Å; H308-Y311 WeakPolarHBondContact O-CB 3.18Å; H308-Y311 PolarHBondContact O-N 3.48Å; H308-Y311 VanDerWaalsContact O-N 3.16Å; H308-E315 IonicContact CE1-OE1 2.64Å; H308-E315 IonicContact NE2-OE1 3.6Å; H308-E315 PolarHBondContact NE2-OE1 3.02Å
309S90.5Very high93.3Very high77 Ų7740.2 Ų40.254%0.53821%0.212SC..THydrogen-bonded Turntrans-55.6-34.8-166.865.70000114.7K158 N305K158-S309 WeakPolarHBondContact CE-O 3.35Å; K158-S309 PolarHBondContact NZ-O 2.73Å; N305-S309 PolarHBondContact OD1-O 3.33Å
310N92.5Very high93.3Very high57 Ų5740.9 Ų40.931%0.30522%0.215SC..THydrogen-bonded Turntrans-112.114.3-173.3-57.4-1.3000112.7H308 L312 T313 N314H308-N310 VanDerWaalsContact C-N 3.26Å; H308-N310 PolarHBondContact O-N 2.9Å; N310-L312 VanDerWaalsContact C-N 3.28Å; N310-L312 PolarHBondContact O-N 3.47Å; N310-T313 PolarHBondContact O-N 3.43Å; N310-T313 VanDerWaalsContact O-N 3.12Å; N310-N314 WeakPolarHBondContact O-CB 3.39Å; N310-N314 PolarHBondContact O-N 3.16Å
311Y94.3Very high93.4Very high30 Ų3036.7 Ų36.712%0.11820%0.195CC..Hα-helixtrans-56.4-42.2-174.8-177.6-102.9000112.3F252 L304 I307 H308 T313 E315 Y316F252-Y311 HydrophobicContact CD1-CE1 4.23Å; F252-Y311 WeakPolarHBondContact CD1-OH 3.5Å; F252-Y311 HydrophobicContact CE1-CE1 4.03Å; F252-Y311 WeakPolarHBondContact CE1-OH 3.36Å; L304-Y311 HydrophobicContact CB-CD1 4.13Å; L304-Y311 HydrophobicContact CD2-CD1 4.1Å; L304-Y311 HydrophobicContact CD2-CE1 3.98Å; L304-Y311 WeakPolarHBondContact O-CB 3.34Å; I307-Y311 HydrophobicContact CB-CD1 4.47Å; I307-Y311 HydrophobicContact CB-CD2 4.38Å; I307-Y311 HydrophobicContact CB-CG 4.17Å; I307-Y311 HydrophobicContact CD1-CD1 3.71Å; I307-Y311 HydrophobicContact CD1-CE1 3.5Å; I307-Y311 VanDerWaalsContact CD1-CE1 3.5Å; I307-Y311 HydrophobicContact CD1-CE2 4.34Å; I307-Y311 HydrophobicContact CD1-CG 4.21Å; I307-Y311 HydrophobicContact CG2-CD2 3.93Å; I307-Y311 HydrophobicContact CG2-CE2 4.16Å; I307-Y311 HydrophobicContact CG2-CG 4.23Å; H308-Y311 AromaticContact CD2-CD2 3.7Å; H308-Y311 WeakPolarHBondContact CE1-CA 3.37Å; H308-Y311 PolarHBondContact CE1-N 2.86Å; H308-Y311 PolarHBondContact ND1-N 2.83Å; H308-Y311 WeakPolarHBondContact NE2-CA 3.25Å; H308-Y311 WeakPolarHBondContact NE2-CB 3.22Å; H308-Y311 AromaticContact NE2-CD2 3.29Å; H308-Y311 VanDerWaalsContact NE2-CD2 3.29Å; H308-Y311 WeakPolarHBondContact NE2-CD2 3.38Å; H308-Y311 AromaticContact NE2-CG 3.82Å; H308-Y311 WeakPolarHBondContact O-CB 3.18Å; H308-Y311 PolarHBondContact O-N 3.48Å; H308-Y311 VanDerWaalsContact O-N 3.16Å; Y311-T313 VanDerWaalsContact C-N 3.33Å; Y311-T313 PolarHBondContact O-N 3.08Å; Y311-E315 HydrophobicContact CD2-CB 3.91Å; Y311-E315 HydrophobicContact CD2-CG 4.34Å; Y311-E315 HydrophobicContact CE2-CB 3.92Å; Y311-E315 WeakPolarHBondContact CE2-OE2 3.33Å; Y311-E315 PolarHBondContact O-N 2.9Å; Y311-Y316 HydrophobicContact CE1-CD2 4.42Å; Y311-Y316 PolarHBondContact O-N 2.97Å
312L94.5Very high93.5Very high0 Ų041.4 Ų41.40%022%0.217CC..Iπ-helixtrans-55-47.7177.3175.761.7000112.2I155 L159 L203 L304 N310 Y316 L317I155-L312 HydrophobicContact CD1-CD2 4.22Å; I155-L312 HydrophobicContact CG2-CD2 3.61Å; L159-L312 HydrophobicContact CD2-CD2 4.28Å; L159-L312 HydrophobicContact CD2-CG 4.31Å; L203-L312 HydrophobicContact CD2-CD1 4.15Å; L304-L312 HydrophobicContact CD1-CD1 3.77Å; N310-L312 VanDerWaalsContact C-N 3.28Å; N310-L312 PolarHBondContact O-N 3.47Å; L312-Y316 HydrophobicContact CD1-CD1 3.75Å; L312-Y316 HydrophobicContact CD1-CE1 4.44Å; L312-L317 HydrophobicContact CD1-CD1 4.04Å; L312-L317 HydrophobicContact CD1-CG 3.89Å; L312-L317 HydrophobicContact CG-CD1 4.17Å; L312-L317 HydrophobicContact CG-CG 4.47Å; L312-L317 WeakPolarHBondContact O-CB 3.42Å; L312-L317 WeakPolarHBondContact O-CG 3.42Å; L312-L317 PolarHBondContact O-N 3.4Å
313T94Very high93.5Very high0 Ų045.5 Ų45.50%024%0.24CC..Iπ-helixtrans-85.1-35.3-170.9-52.40000112.9L159 E162 F164 N310 Y311 P318L159-T313 HydrophobicContact CD2-CG2 4.37Å; L159-T313 WeakPolarHBondContact CD2-OG1 3.44Å; E162-T313 HydrophobicContact CB-CG2 3.85Å; E162-T313 WeakPolarHBondContact OE2-CB 3.27Å; E162-T313 PolarHBondContact OE2-OG1 3.21Å; F164-T313 HydrophobicContact CB-CG2 3.96Å; F164-T313 HydrophobicContact CD2-CG2 3.95Å; F164-T313 HydrophobicContact CG-CG2 4.45Å; N310-T313 PolarHBondContact O-N 3.43Å; N310-T313 VanDerWaalsContact O-N 3.12Å; Y311-T313 VanDerWaalsContact C-N 3.33Å; Y311-T313 PolarHBondContact O-N 3.08Å; T313-P318 VanDerWaalsContact O-CD 3.27Å; T313-P318 WeakPolarHBondContact O-CD 3.39Å; T313-P318 VanDerWaalsContact O-CG 3.26Å; T313-P318 WeakPolarHBondContact O-CG 3.49Å
314N93.5Very high93.5Very high74 Ų7448.3 Ų48.340%0.39625%0.254SS..Iπ-helixtrans-97.5-20.7-171.9-73.1-10.8000114K167 N310K167-N314 PolarHBondContact NZ-OD1 2.68Å; N310-N314 WeakPolarHBondContact O-CB 3.39Å; N310-N314 PolarHBondContact O-N 3.16Å
315E93.8Very high93.5Very high84 Ų8450.2 Ų50.239%0.39327%0.265SS..Iπ-helixtrans-128.8-59.5-176.2-64.3-175.9-144.200111.5H308 Y311 P318 N319H308-E315 IonicContact CE1-OE1 2.64Å; H308-E315 IonicContact NE2-OE1 3.6Å; H308-E315 PolarHBondContact NE2-OE1 3.02Å; Y311-E315 HydrophobicContact CD2-CB 3.91Å; Y311-E315 HydrophobicContact CD2-CG 4.34Å; Y311-E315 HydrophobicContact CE2-CB 3.92Å; Y311-E315 WeakPolarHBondContact CE2-OE2 3.33Å; Y311-E315 PolarHBondContact O-N 2.9Å; E315-P318 WeakPolarHBondContact O-CD 3.36Å; E315-N319 VanDerWaalsContact O-CB 3.24Å; E315-N319 WeakPolarHBondContact O-CB 3.49Å; E315-N319 PolarHBondContact O-N 3.28Å; E315-N319 PolarHBondContact O-ND2 3.16Å
316Y95.4Very high93.7Very high8 Ų850.8 Ų50.83%0.03128%0.282CS..Iπ-helixtrans-61.2-55.7-172.8-179.6-93.5000113.1L203 G243 L244 E248 F252 L304 Y311 L312 K320L203-Y316 HydrophobicContact CD1-CE1 3.96Å; G243-Y316 WeakPolarHBondContact CA-OH 3.39Å; L244-Y316 WeakPolarHBondContact CA-OH 3.42Å; L244-Y316 HydrophobicContact CD1-CE2 4.15Å; E248-Y316 PolarHBondContact OE2-OH 2.86Å; F252-Y316 HydrophobicContact CE1-CD2 4.39Å; F252-Y316 HydrophobicContact CE2-CE2 4.43Å; F252-Y316 AromaticContact CZ-CD2 3.86Å; F252-Y316 HydrophobicContact CZ-CD2 3.86Å; F252-Y316 AromaticContact CZ-CE2 3.78Å; F252-Y316 HydrophobicContact CZ-CE2 3.78Å; L304-Y316 HydrophobicContact CD1-CD1 3.96Å; L304-Y316 HydrophobicContact CD1-CD2 4.3Å; L304-Y316 HydrophobicContact CD1-CE1 4.27Å; L304-Y316 HydrophobicContact CD1-CG 3.98Å; Y311-Y316 HydrophobicContact CE1-CD2 4.42Å; Y311-Y316 PolarHBondContact O-N 2.97Å; L312-Y316 HydrophobicContact CD1-CD1 3.75Å; L312-Y316 HydrophobicContact CD1-CE1 4.44Å; Y316-K320 HydrophobicContact CD1-CG 4.44Å; Y316-K320 HydrophobicContact CE1-CG 4.11Å; Y316-K320 HydrophobicContact CE2-CG 4.45Å; Y316-K320 WeakPolarHBondContact O-CB 3.26Å; Y316-K320 WeakPolarHBondContact O-CG 2.9Å; Y316-K320 PolarHBondContact O-N 3.38Å; Y316-K320 VanDerWaalsContact OH-CE 3.29Å; Y316-K320 WeakPolarHBondContact OH-CE 3.38Å; Y316-K320 PolarHBondContact OH-NZ 3.43Å
317L96Very high93.8Very high0 Ų048 Ų480%026%0.264CS..Hα-helixtrans-65.9-46179.3-78.1172.3000113.1L148 L159 F164 L203 L312 N319 K320 L321L148-L317 HydrophobicContact CD2-CD1 4.38Å; L148-L317 HydrophobicContact CD2-CD2 4.39Å; L159-L317 HydrophobicContact CD1-CD1 3.99Å; L159-L317 HydrophobicContact CD2-CD1 3.49Å; L159-L317 VanDerWaalsContact CD2-CD1 3.49Å; L159-L317 HydrophobicContact CG-CD1 4.41Å; F164-L317 HydrophobicContact CD2-CD1 4.21Å; F164-L317 HydrophobicContact CE2-CB 3.79Å; F164-L317 HydrophobicContact CE2-CD1 3.73Å; F164-L317 HydrophobicContact CE2-CG 4.39Å; F164-L317 HydrophobicContact CZ-CB 4.34Å; F164-L317 HydrophobicContact CZ-CD1 4.06Å; L203-L317 HydrophobicContact CD1-CD2 4.16Å; L203-L317 HydrophobicContact CD2-CD1 4.49Å; L203-L317 HydrophobicContact CD2-CD2 4.31Å; L312-L317 HydrophobicContact CD1-CD1 4.04Å; L312-L317 HydrophobicContact CD1-CG 3.89Å; L312-L317 HydrophobicContact CG-CD1 4.17Å; L312-L317 HydrophobicContact CG-CG 4.47Å; L312-L317 WeakPolarHBondContact O-CB 3.42Å; L312-L317 WeakPolarHBondContact O-CG 3.42Å; L312-L317 PolarHBondContact O-N 3.4Å; L317-N319 PolarHBondContact O-N 3.04Å; L317-K320 WeakPolarHBondContact O-CB 3.38Å; L317-K320 PolarHBondContact O-N 3.1Å; L317-L321 WeakPolarHBondContact O-CB 3.24Å; L317-L321 WeakPolarHBondContact O-CG 3.04Å; L317-L321 PolarHBondContact O-N 2.98Å
318P95.6Very high93.8Very high15 Ų1550.1 Ų50.110%0.09728%0.276CS..Hα-helixtrans-54-48.3174.2-2936.5000113.2F168 T313 E315 K320 L321 E322F168-P318 HydrophobicContact CE2-CG 4.1Å; F168-P318 HydrophobicContact CZ-CB 3.91Å; F168-P318 HydrophobicContact CZ-CG 3.77Å; T313-P318 VanDerWaalsContact O-CD 3.27Å; T313-P318 WeakPolarHBondContact O-CD 3.39Å; T313-P318 VanDerWaalsContact O-CG 3.26Å; T313-P318 WeakPolarHBondContact O-CG 3.49Å; E315-P318 WeakPolarHBondContact O-CD 3.36Å; P318-K320 VanDerWaalsContact C-N 3.28Å; P318-K320 PolarHBondContact O-N 3.14Å; P318-L321 PolarHBondContact O-N 3.27Å; P318-E322 PolarHBondContact O-N 3.42Å
319N95.2Very high93.7Very high92 Ų9249.9 Ų49.949%0.49228%0.28SS..Hα-helixtrans-62.1-37.5178.3-68.3-15.4000111.8E315 L317 L323E315-N319 VanDerWaalsContact O-CB 3.24Å; E315-N319 WeakPolarHBondContact O-CB 3.49Å; E315-N319 PolarHBondContact O-N 3.28Å; E315-N319 PolarHBondContact O-ND2 3.16Å; L317-N319 PolarHBondContact O-N 3.04Å; N319-L323 VanDerWaalsContact O-CB 3.26Å; N319-L323 WeakPolarHBondContact O-CB 3.41Å; N319-L323 PolarHBondContact O-N 3.21Å
320K95.7Very high93.6Very high16 Ų1649.6 Ų49.67%0.0727%0.273CS..Hα-helixtrans-67.8-42.1175.7-73.4-72.7-174.6146.60112.8C242 E248 Y316 L317 P318 L323 L324C242-K320 WeakPolarHBondContact O-CD 3.2Å; C242-K320 WeakPolarHBondContact O-CE 3.05Å; C242-K320 PolarHBondContact O-NZ 3.49Å; E248-K320 WeakPolarHBondContact OE1-CE 3.24Å; E248-K320 IonicContact OE1-NZ 3.52Å; E248-K320 PolarHBondContact OE1-NZ 3.47Å; E248-K320 WeakPolarHBondContact OE2-CE 3.16Å; E248-K320 IonicContact OE2-NZ 2.76Å; E248-K320 PolarHBondContact OE2-NZ 3.19Å; Y316-K320 HydrophobicContact CD1-CG 4.44Å; Y316-K320 HydrophobicContact CE1-CG 4.11Å; Y316-K320 HydrophobicContact CE2-CG 4.45Å; Y316-K320 WeakPolarHBondContact O-CB 3.26Å; Y316-K320 WeakPolarHBondContact O-CG 2.9Å; Y316-K320 PolarHBondContact O-N 3.38Å; Y316-K320 VanDerWaalsContact OH-CE 3.29Å; Y316-K320 WeakPolarHBondContact OH-CE 3.38Å; Y316-K320 PolarHBondContact OH-NZ 3.43Å; L317-K320 WeakPolarHBondContact O-CB 3.38Å; L317-K320 PolarHBondContact O-N 3.1Å; P318-K320 VanDerWaalsContact C-N 3.28Å; P318-K320 PolarHBondContact O-N 3.14Å; K320-L323 PolarHBondContact O-N 3.24Å; K320-L324 VanDerWaalsContact O-CB 3.22Å; K320-L324 WeakPolarHBondContact O-CB 3.45Å; K320-L324 VanDerWaalsContact O-CG 3.26Å; K320-L324 WeakPolarHBondContact O-CG 3.49Å; K320-L324 PolarHBondContact O-N 3.39Å
321L95.9Very high92.8Very high0 Ų060.4 Ų60.40%032%0.317CS..Hα-helixtrans-66.3-39.7178.3-73.4176.3000111.6F146 F164 F168 I201 L317 P318 L325 G326 I327F146-L321 HydrophobicContact CD1-CD2 4.48Å; F146-L321 HydrophobicContact CD2-CD2 4.06Å; F146-L321 HydrophobicContact CE1-CD1 4.29Å; F146-L321 HydrophobicContact CE1-CD2 4.29Å; F146-L321 HydrophobicContact CE2-CD1 4.3Å; F146-L321 HydrophobicContact CE2-CD2 3.85Å; F146-L321 HydrophobicContact CG-CD2 4.37Å; F146-L321 HydrophobicContact CZ-CD1 3.78Å; F146-L321 HydrophobicContact CZ-CD2 3.96Å; F164-L321 HydrophobicContact CE2-CD1 4.37Å; F164-L321 HydrophobicContact CZ-CD1 3.88Å; F168-L321 HydrophobicContact CD1-CD1 3.54Å; F168-L321 HydrophobicContact CD2-CD1 4.27Å; F168-L321 HydrophobicContact CE1-CD1 3.49Å; F168-L321 VanDerWaalsContact CE1-CD1 3.49Å; F168-L321 HydrophobicContact CE2-CD1 4.24Å; F168-L321 HydrophobicContact CG-CD1 3.94Å; F168-L321 HydrophobicContact CZ-CD1 3.87Å; I201-L321 HydrophobicContact CD1-CD2 3.42Å; I201-L321 VanDerWaalsContact CD1-CD2 3.42Å; L317-L321 WeakPolarHBondContact O-CB 3.24Å; L317-L321 WeakPolarHBondContact O-CG 3.04Å; L317-L321 PolarHBondContact O-N 2.98Å; P318-L321 PolarHBondContact O-N 3.27Å; L321-L325 HydrophobicContact CD2-CD1 4.08Å; L321-L325 CarbonylContact O-C 3.35Å; L321-L325 WeakPolarHBondContact O-CA 3.05Å; L321-L325 WeakPolarHBondContact O-CB 3.45Å; L321-L325 PolarHBondContact O-N 3.28Å; L321-G326 PolarHBondContact O-N 3.35Å; L321-G326 VanDerWaalsContact O-N 3.13Å; L321-I327 CarbonylContact C-O 3.51Å; L321-I327 HydrophobicContact CB-CB 4.44Å; L321-I327 PolarHBondContact O-N 3.33Å
322E96.3Very high92.7Very high99 Ų9961.9 Ų61.946%0.46333%0.327SS..Hα-helixtrans-63.7-49.9173.4-175.4177.7-165.900110.9P318 L324 G326 I327 L328P318-E322 PolarHBondContact O-N 3.42Å; E322-L324 PolarHBondContact O-N 2.84Å; E322-G326 WeakPolarHBondContact O-CA 3.49Å; E322-G326 PolarHBondContact O-N 3.03Å; E322-I327 PolarHBondContact N-O 3.36Å; E322-L328 HydrophobicContact CB-CD2 4.24Å; E322-L328 HydrophobicContact CG-CD2 3.87Å
323L94.3Very high92.6Very high141 Ų14165.2 Ų65.274%0.73834%0.344SS*.Hα-helixtrans-65-41.9-178-178.766.2000113.3N319 K320N319-L323 VanDerWaalsContact O-CB 3.26Å; N319-L323 WeakPolarHBondContact O-CB 3.41Å; N319-L323 PolarHBondContact O-N 3.21Å; K320-L323 PolarHBondContact O-N 3.24Å
324L92.7Very high92.5Very high69 Ų6968.8 Ų68.836%0.36136%0.363SS..Hα-helixtrans-85.1-38.8-174.6-67173.2000112.5C242 K320 E322C242-L324 HydrophobicContact CB-CD1 4.35Å; K320-L324 VanDerWaalsContact O-CB 3.22Å; K320-L324 WeakPolarHBondContact O-CB 3.45Å; K320-L324 VanDerWaalsContact O-CG 3.26Å; K320-L324 WeakPolarHBondContact O-CG 3.49Å; K320-L324 PolarHBondContact O-N 3.39Å; E322-L324 PolarHBondContact O-N 2.84Å
325L93.5Very high92.5Very high41 Ų4168.5 Ų68.522%0.21536%0.361CS..Hα-helixtrans-126-6.2-167.1-53.4-178000113.7F146 P199 I201 L321 I327F146-L325 HydrophobicContact CB-CD1 3.64Å; F146-L325 HydrophobicContact CG-CD1 4.12Å; P199-L325 HydrophobicContact CB-CD1 3.95Å; P199-L325 HydrophobicContact CB-CD2 3.45Å; P199-L325 VanDerWaalsContact CB-CD2 3.45Å; P199-L325 HydrophobicContact CB-CG 4.37Å; P199-L325 HydrophobicContact CG-CD1 4.33Å; P199-L325 HydrophobicContact CG-CD2 3.76Å; I201-L325 HydrophobicContact CD1-CD1 4.26Å; I201-L325 HydrophobicContact CG2-CD1 4.19Å; I201-L325 HydrophobicContact CG2-CD2 4.44Å; L321-L325 HydrophobicContact CD2-CD1 4.08Å; L321-L325 CarbonylContact O-C 3.35Å; L321-L325 WeakPolarHBondContact O-CA 3.05Å; L321-L325 WeakPolarHBondContact O-CB 3.45Å; L321-L325 PolarHBondContact O-N 3.28Å; L325-I327 HydrophobicContact CB-CD1 3.82Å; L325-I327 HydrophobicContact CB-CG1 3.85Å; L325-I327 HydrophobicContact CD1-CD1 3.99Å; L325-I327 PolarHBondContact O-N 3.25Å
326G93.6Very high92.4Very high60 Ų6067.5 Ų67.562%0.61936%0.359SS*.  trans68.220.3-174.800000113.9L321 E322L321-G326 PolarHBondContact O-N 3.35Å; L321-G326 VanDerWaalsContact O-N 3.13Å; E322-G326 WeakPolarHBondContact O-CA 3.49Å; E322-G326 PolarHBondContact O-N 3.03Å
327I91.7Very high92.2Very high16 Ų1671.5 Ų71.58%0.08238%0.381CS..PPolyproline II helixtrans-95.7123.1-175.3-61.3176.2000110Q145 F146 F168 L321 E322 L325Q145-I327 HydrophobicContact CB-CD1 3.88Å; F146-I327 HydrophobicContact CB-CD1 4.41Å; F146-I327 HydrophobicContact CD1-CD1 3.49Å; F146-I327 VanDerWaalsContact CD1-CD1 3.49Å; F146-I327 HydrophobicContact CE1-CD1 4.14Å; F146-I327 HydrophobicContact CE1-CG2 4.4Å; F146-I327 HydrophobicContact CG-CD1 4.3Å; F168-I327 HydrophobicContact CD1-CG2 4.04Å; F168-I327 HydrophobicContact CE1-CG2 4.48Å; L321-I327 CarbonylContact C-O 3.51Å; L321-I327 HydrophobicContact CB-CB 4.44Å; L321-I327 PolarHBondContact O-N 3.33Å; E322-I327 PolarHBondContact N-O 3.36Å; L325-I327 HydrophobicContact CB-CD1 3.82Å; L325-I327 HydrophobicContact CB-CG1 3.85Å; L325-I327 HydrophobicContact CD1-CD1 3.99Å; L325-I327 PolarHBondContact O-N 3.25Å
328L90Very high91.9Very high105 Ų10576.6 Ų76.655%0.5541%0.408SS..PPolyproline II helixtrans-100154.6174-66.3175.9000111E322E322-L328 HydrophobicContact CB-CD2 4.24Å; E322-L328 HydrophobicContact CG-CD2 3.87Å
329P88.7Confident91.6Very high64 Ų6481.3 Ų81.342%0.41643%0.432SS..PPolyproline II helixtrans-63.2142.9174.226.4-33.7000111.3K167 F168K167-P329 HydrophobicContact CB-CB 4.45Å; K167-P329 CarbonylContact O-C 3.41Å; K167-P329 WeakPolarHBondContact O-CA 3.43Å; F168-P329 HydrophobicContact CE1-CB 4.02Å; F168-P329 HydrophobicContact CE2-CB 4.37Å; F168-P329 HydrophobicContact CZ-CB 3.82Å; F168-P329 HydrophobicContact CZ-CG 4.44Å
330N88.5Confident91.4Very high71 Ų7180.4 Ų80.438%0.3843%0.427SS..PPolyproline II helixtrans-57.9137.9168.6-65.3-33.2000109.9E166 K167 K169E166-N330 PolarHBondContact O-ND2 3.4Å; K167-N330 WeakPolarHBondContact O-CB 3.32Å; K167-N330 PolarHBondContact O-N 2.92Å; K167-N330 PolarHBondContact O-ND2 2.96Å; K169-N330 PolarHBondContact O-ND2 2.63Å
331K75.5Confident91Very high283 Ų28386.3 Ų86.3100%1.2346%0.459SS*.  trans-72.50178.1-70.2-174.4178179.90112.9

Retrieved 331 of 331 residues in 833.6 ms (Link to these results)

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