TABLE 1.

Comparison of the RMSD, radius of gyration and α-helical content in the crystal structure and in the MD simulations

Mb	RMSD (nm)	Radius of gyration (nm)	α-Helical content (%)
WT-Mb (MD)	0.21 ± 0.03	1.50 ± 0.01	73.0 ± 2.2
WT-Mb (crystal)	—	1.5	75.0
YQR-Mb (MD)	0.20 ± 0.03	1.50 ± 0.01	74.2 ± 2.5
YQR-Mb (crystal)	—	1.5	75.0
WT-Mb··CO (MD)	0.16 ± 0.02	1.48 ± 0.01	72.0 ± 2.7
WT-Mb··CO (crystal)	—	1.5	74.5