Sequence-based prediction of physicochemical interactions at protein functional sites using a function-and-interaction-annotated domain profile database

Table 1 The prediction of protein-ligand interactions on PFSs of T0737†

Target	Site	AA	ELE	HBD	HBA	π-π
T0737	41	G	0	0	0	0
	42	T	+/0	T	0	0
	45	W	0	T	0	T
	49	H	0	0	+	T
	78	L	0	0	0	0
	83	C	0	+	T	0
	114	Y	0	0	T	T
	117	H	T	+	–	T
	118	N	0	+	T	0
	120	V	0	0	0	0
	121	N	0	0	+	0
	123	K	T	T	+	+/0

†AA stands for amino acid, COV for covalent bond, COO for coordinate bond, ELE for electrostatic interaction, HBD for H-bond donor, HBA for H-bond acceptor, π-π for π-stacking interactions. “0” indicates the corresponding interaction is not present in protein-ligand complex structure and fiDPD calculation also showed no such type PLIs on the site

ISSN: 1471-2105