LigandRFs: random forest ensemble to identify ligand-binding residues from sequence information alone

BMC Bioinformatics

Table 3 Performance and information on each of the CASP9 targets.

Target	Target PDB id	Number of residues	Chemical Class	Sen (%)	Prec (%)	MCC	Ratio (%)^§
T0518	3NMB	288	Metal	57.14	57.14	0.56	2.43
T0521	3MSE	179		33.33	33.33	0.30	5.03
T0529	3MWT	569		50.00	9.09	0.20	0.70
T0539	2L0B	81		37.50	50.00	0.38	9.88
T0548	3NNQ	106		100.00	66.67	0.81	3.77
T0582	3O14	222		100.00	66.67	0.81	1.80
T0585	3NE8	234		60.00	75.00	0.66	2.14
T0625	3ORU	233		66.67	22.22	0.37	1.29
T0629	2XGF	216		100.00	73.68	0.85	6.48
T0635	3N1U	191		100.00	33.33	0.57	1.57
Average				74.46	48.71	0.55	3.51
T0570	3NO3	258	Metal, Non-metal	50.00	44.44	0.45	3.10
T0607	3PFE	471		57.14	32.00	0.41	2.97
T0615	3NQW	179		26.67	44.44	0.30	8.38
Average				44.60	40.29	0.39	4.82
T0515	3MT1	365	Non-metal	50.00	20.69	0.29	3.29
T0516	3NO6	229		30.77	50.00	0.36	5.68
T0524	3MWX	325		53.85	77.78	0.64	4.00
T0526	3NRE	290		11.11	5.56	0.04	3.10
T0547	3NZP	611		58.82	26.32	0.37	2.78
T0565	3NPF	326		41.67	62.50	0.50	3.68
T0584	3NF2	352		23.08	25.00	0.21	3.69
T0591	3NRA	406		41.67	83.33	0.58	2.96
T0597	3NIE	429		31.58	37.50	0.32	4.43
T0599	3OS6	399		7.69	11.11	0.07	3.26
T0604	3NLC	549		9.09	16.67	0.08	6.01
T0609	3OS7	340		70.00	70.00	0.69	2.94
T0613	3OBI	287		26.67	44.44	0.32	5.23
T0622	3NKL	138		20.00	37.50	0.21	10.87
T0632	3NWZ	168		18.75	37.50	0.21	9.52
T0636	3P1T	336		23.53	66.67	0.38	5.06
T0641	3NYI	296		11.11	66.67	0.26	6.08
Average				31.14	43.48	0.32	4.86

ISSN: 1471-2105