TABLE 1.
The overall conformation analysis of PPL in solvents.
Organic Solvent | Density (kg/m3) | Backbone RMSD (nm) | Pocket RMSD (nm) | Radius of gyration (nm) | Secondary structure relative content (%) | SASA (nm2) | ||||
α -helix | β -sheet | loop | Hydrophobic | Hydrophilic | Total | |||||
Water | 1,018.3 | 0.29 | 0.16 | 2.47 | 23.21 | 27.23 | 49.55 | 105.13 | 90.69 | 195.82 |
DMSO | 1,083.9 | 0.21 | 0.16 | 2.51 | 24.55 | 27.23 | 48.21 | 112.72 | 89.25 | 201.98 |
PRG | 9,58.2 | 0.34 | 0.29 | 2.45 | 16.52 | 22.32 | 61.16 | 120.47 | 63.1 | 183.57 |
EtOH | 707.5 | 0.43 | 0.35 | 2.34 | 16.07 | 21.43 | 62.50 | 128.89 | 56 | 184.89 |