Table 3. Summary Statistics from the Trajectory Analysis^a.

	RMSD			No. of hydrogen bonds
system	protein Cα (Å)	heme group (Å)	Rg (Å)	intraprotein	protein–water	protein–heme	protein–MI	MI–MI
water	5.42 ± 0.32	0.35 ± 0.04	24.77 ± 0.16	129 ± 13	526 ± 69	4 ± 1	–	–
myoinositol	5.13 ± 0.64	0.63 ± 0.07	24.82 ± 0.20	130 ± 12	389 ± 15	4 ± 1	32 ± 5	10 ± 4

^aThe last 10 ns of the trajectory were considered for the analysis.