CONS-COCOMAPS: a novel tool to measure and visualize the conservation of inter-residue contacts in multiple docking solutions

Table 3 Ten most conserved inter-residue contacts.

	CR_kl	Receptor		Ligand		Distance (Å)
T25
	0,173	TYR	35	TYR	999	3,48
	0,167	PHE	51	ASP	996	5,82
	0,163	PHE	51	ILE	1053	4,00
	0,150	ASN	52	ASP	996	3,84
	0,147	THR	44	TYR	999	2,60
	0,140	ASN	52	TYR	999	4,20
	0,140	ILE	46	ILE	997	3,65
	0,137	THR	45	TYR	999	3,49
	0,133	ILE	49	GLN	1035	6,09
	0,130	ILE	49	ILE	995	5,29
T26
	0,232	GLU	293	GLU	116	3,62
	0,210	GLU	293	THR	114	2,66
	0,197	PHE	424	PRO	115	3,43
	0,190	ALA	249	GLU	116	2,92
	0,187	SER	205	GLU	116	2,66
	0,174	PHE	424	GLU	116	5,55
	0,174	HIS	246	GLU	116	2,79
	0,168	MET	204	GLU	116	3,75
	0,158	GLN	336	THR	114	2,94
	0,158	GLY	248	GLU	116	3,94
T29
	0,069	TRP	236	PHE	165	7,67
	0,063	HIS	221	PHE	165	3,65
	0,063	VAL	195	ARG	195	6,53
	0,060	TRP	236	GLU	204	3,03
	0,057	PHE	231	PRO	236	3,88
	0,057	LYS	223	THR	200	5,73
	0,054	VAL	195	PHE	165	7,28
	0,051	PHE	231	LEU	237	3,35
	0,051	TRP	236	TYR	207	3,67
	0,051	VAL	233	THR	200	6,82
T32
	0,223	LEU	126	TYR	87	3,71
	0,200	GLY	127	TYR	87	3,74
	0,183	SER	125	TYR	87	7,68
	0,169	GLY	100	TYR	87	4,03
	0,160	ASN	62	TYR	87	9,91
	0,157	SER	128	TYR	87	3,49
	0,146	ASN	62	THR	89	4,65
	0,143	ASN	155	THR	89	4,56
	0,140	LEU	96	TYR	87	3,52
	0,137	GLY	127	LEU	91	3,51

The ten most conserved inter-residue contacts are reported for targets T25, T26, T29 and T32, together with corresponding distances in the native structures [36–39]. Distances above 5 Å are outlined in bold.

ISSN: 1471-2105