TABLE 3.

Average numbers of protein–water hydrogen bonds in different systems.

Systems	Pro-water	M-water	S-water	chr-water	pho-water	phi-water
	Total HBa	HBb	HBc	HBd	HBe	HBf
298 K	928.69	273.55	655.14	358.89	243.81	323.87
318 K	925.18	270.69	654.49	356.18	239.94	326.95
343 K	894.48	257.36	637.11	349.38	227.40	315.66
298 K, no Ca2+	967.29	275.80	691.49	390.55	245.21	329.83
318 K, no Ca2+	954.70	277.43	677.27	378.16	245.75	328.70
343 K, no Ca2+	924.28	262.96	661.31	363.69	237.24	321.18

^aProtein–water total hydrogen bond. ^bMain chain–water hydrogen bond. ^cSide chain–water hydrogen bond. ^dCharge residues–water hydrogen bond. ^eHydrophilic residues–water hydrogen bond. ^fHydrophobic residues–water hydrogen bond.