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. 2024 May 20;15(6):924–937. doi: 10.1021/acsmedchemlett.4c00114

Table 5. Average, Maximum, and Minimum RMSD, RMSF, Radius of Gyration, and Hydrogen Bond Analysis Values of the Protein–Ligand Complexes.

parameter Apo EthR-protein R2-EthR complex R7-EthR complex linezolid-EthR complex
protein Cα atoms RMSD (Å)
average 2.48 2.98 2.55 2.90
maximum 3.38 3.99 3.83 3.65
minimum 0.99 1.02 1.23 0.99
protein C-α atoms RMSF (Å)
average 1.36 1.22 1.30 1.29
maximum 6.13 5.42 5.66 5.75
minimum 0.63 0.51 0.33 0.56
radius of gyration (RGyr) (Å)
average 20.72 20.72 20.69 20.60
maximum 20.89 20.91 20.91 20.79
minimum 20.48 20.44 20.39 20.40
hydrogen bond analysis
average   1.44 1.06 0.84
maximum   5.00 4.00 3.00
minimum   1.00 1.00 1.00