Table 2. Hydrogen Bond Analysis in the Cro Environment by MD Simulation.

		occupancy
donora	acceptora	apo	holo
CRO-OG1	E222-OE2	88.5	91.5
WAT1	CRO-OH	15.5	N/A
CRO-OH	WAT1	N/A	92.0
CRO-OH	H148-ND1	41.5	N/A
WAT1	S205-OG	N/A	6.5
S205-OG	E222-OE2	85	98.5
H148–N	T203-O	44.5	54.5
WAT2	E222-OE1	16.5	NA
WAT2	T203-OG1	10.5	31
WAT3	E222-OE1	43	40
WAT2	WAT3	24.5	35.5
Q69-NE2	WAT2	40.5	68.5

^aThe residue and atoms names of H-bond donors and acceptors were given based on the pdb files.