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. 2020 Jul 14;8:676. doi: 10.3389/fbioe.2020.00676

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