Table 5.

Average number of hydrogen bonds between residues D30 and K45 for protease wildtype and mutant complexes

Drug	Genotype	D30–K45		D30${}^{\prime }$–K45${}^{\prime }$
		L76	V76	L76	V76
ATV	FB15	$0.068\pm 0.003$	$0.52\pm 0.04$	$0.07\pm 0.002$	$0.58\pm 0.02$
SQV	FB15	$0.12\pm 0.01$	$0.59\pm 0.02$	$0.11\pm 0.005$	$0.62\pm 0.004$
ATV	GH9	$0.07\pm 0.01$	$0.49\pm 0.12$	$0.06\pm 0.002$	$0.66\pm 0.12$
SQV	GH9	$0.07\pm 0.004$	$0.46\pm 0.04$	$0.01\pm 4\times {10}^{-5}$	$0.19\pm 0.04$
ATV	RU1	$0.05\pm 0.001$	$0.43\pm 0.05$	$0.04\pm 1\times {10}^{-4}$	$0.61\pm 0.09$
LPV	RU1	$0.01\pm 3\times {10}^{-5}$	$0.16\pm 0.03$	$0.16\pm 0.006$	$0.56\pm 0.12$
ATV	iZ2	$0.16\pm 0.007$	$0.57\pm 0.07$	$0.08\pm 0.002$	$0.52\pm 0.04$
IDV	iZ2	$0.1\pm 0.01$	$0.39\pm 0.03$	$0.06\pm 0.002$	$0.51\pm 0.07$
LPV	iZ2	$0.04\pm 5\times {10}^{-4}$	$0.19\pm 0.02$	$0.24\pm 0.01$	$0.63\pm 0.02$

± Indicates standard error of bond frequency across independent simulations