Implication of Crystal Water Molecules in Inhibitor Binding at ALR2 Active Site

Table 6

Hydrogen bonds data showing occupancy with a distance cutoff of 5 Å in the MD simulations for 3H4G.

Donor H-X	Acceptor atom of water	3H4G
		Occupancy (%)	Distance (Å)
FID@C9	346@O	98.82	3.683
FID@O10	346@O	97.55	3.765
FID@C11	346@O	95.27	4.047
FID@C19	346@O	91.91	4.299
FID@O6I	346@O	89.64	3.423