An automated stochastic approach to the identification of the protein specificity determinants and functional subfamilies

Table 4 Sensitivity, false positive rate, average and median distances to the ligand for predictions obtained with different methods for the enzyme dataset.

	Sensitivity	False positive rate	Average distance to the ligand	Median distance to the ligand
dataset1
Trace Suite II	0.78	0.55	12.27	11.77
FASS	0.04	0.01	9.82	11.42
MB-method	0.13	0.05	9.67	8.67
S-method	0.04	0.01	9.66	12.92
rate4site	0.26	0.16	11.91	11.74
SDPclust	0.10	0.04	10.96	10.96
SDPsite	0.14	0.13	12.71	12.62
dataset2
Trace Suite II	0.69	0.51	12.26	11.88
FASS	0.07	0.01	8.80	9.62
MB-method	0.15	0.06	9.89	9.86
S-method	0.07	0.01	6.84	6.90
rate4site	0.21	0.15	12.59	12.40
SDPclust	0.12	0.06	10.81	11.08
SDPsite	0.16	0.11	11.46	11.17

All positions that lie closer than 10 Å to the co-crystallized ligand in the corresponding structure are considered SDPs.

ISSN: 1748-7188