Table 2.

The E484K-induced changes in the occupancy and the average distance of the hydrogen bonds formed by the residues discussed in the paper.

Acceptor	Donor_H	Donor	Occupancy-WTa	Occupancy-MTb	Ave Distance-WTc/(Å)	Ave Distance-MTd/(Å)
ASN_487@OD1	TYR_83@HH	TYR_83@OH	0.847	0.952	2.751	2.708
GLN_24@OE1	ASN_487@HD21	ASN_487@ND2	0.305	0.427	2.848	2.853
TYR_83@OH	TYR_489@HH	TYR_489@OH	0	0.747	/e)	2.807
GLN_493@OE1	LYS_31@HZ2	LYS_31@NZ	0.107	0.247	2.814	2.801
LEU_492@O	LYS_31@HZ2	LYS_31@NZ	0	0.0642	/	2.813
ASP_30@OD2	LYS_417@HZ3	LYS_417@NZ	0.197	0.050	2.793	2.770
TYR_505@OH	ARG_393@HH22	ARG_393@NH2	0.168	0.00170	2.884	2.884
GLU_37@OE2	TYR_505@HH	TYR_505@OH	0.805	0.283	2.707	2.708

^aOccupancy-WT represents the occupancy of the hydrogen bonds in the MD simulation trajectory of the wild-type system.

^bOccupancy-MT represents the occupancy of the hydrogen bonds in the MD simulation trajectory of the mutant system.

^cAve Distance-WT represents the average distance of the hydrogen bond in the MD simulation trajectory of the wild-type system.

^dAve Distance-MT represents the average distance of the hydrogen bond in the MD simulation trajectory of the mutant-type system.

^eThe distance of the unformed hydrogen bonds were not shown in table.