Table 1. Six selected proteins from the test set.

FUNCTION	NAME OF THE PROTEIN	PDB CODE/CHAIN ID
		Ligand-free state	Ligand-bound state
Oxireductase	Human Heme-Oxygenase-1	1NI6/B	1N3U/B
Transferase	Human glutathione transferase A1-1	1K3O/A	1K3Y/A
Hydrolase	Catalytic domain of Protein Tyrosine Phosphatase 1B	2HNP/A	1BZC/A
Ligase	BC Domain of Acetyl-coA Carboxylase2 (residues Val259–761Ala)	3GLK/A	3GID/A
Lyase	Human Carbonic Anhydrase II	2CBE/A	1A42/A
Ca+2-binding Protein	S100A6	1K9P/A	1K9K/A