Table 3.

The results of I-TASSER structure predictions, the number of putative ligand binding sites predicted by template-based transfer and the number of active compounds in the screening library for virtual screening target proteins

	TM-scorea	RMSDb	Number of Predicted sites	Number of Actives
CDK2	0.86	1.99	22	72
EGFr	0.86	3.49	14	100
FGFr1	0.90	0.91	18	100
PDE5	0.93	1.22	6	88
Thrombin	0.91	4.28	13	72
TK	0.93	1.65	3	22

^aTM-score of the full-length I-TASSER model compared to the native.

^bThe Cα RMSD (Å) of the I-TASSER model to the native in the binding site residues.