Table 3. The MolMov Set.

PDB Code	Protein Name	Ligand Name	SCOP Classification
1BJY	Tetracyclin repressor	Tetracycline	All alpha
1DQY	Antigen85c (mycolyltransferase)	Diethyl phosphate inhibitor	Alpha/beta
1CRX	CRE recombinase	DNA	All alpha
1EX7	Guanylate kinase	Guanosine 5-monophosphate	All beta
1QUK	Phosphate-binding protein	Phosphate	Alpha/beta
1GTR	Glutaminyl-tRNA synthase	ATP	Alpha/beta
2DRI	Ribose-binding protein	Ribose	Alpha/beta
1SSP	Uracyl-DNA glycosylase	Uracyl-DNA	Alpha/beta
1CIP	Guanine nucleotide-bindign protein	Phosphoaminophosphonic acid-guanylate ester	Alpha/beta
3PJR	Helicase	DNA	Alpha/beta
1B0O	Beta-Lactoglobulin	Palmitate	All beta
6TIM	TriosePhosphate Isomerase	3-Phosphoglycerol	Alpha/beta
1F8A	Peptidyl-prolyl cis-trans isomerase	Phosphoserine-proline peptide	Alpha + beta
1DVJ	Orotinide monophosphate dehydrogenase	6-AZA Uridine MonoPhosphate	Alpha/beta
1FTM	Glutamate receptor	AMPA	Alpha/beta
3MBP	Maltose-binding protein	Maltotriose	Alpha/beta
1QAI	Reverse transcriptase	Nucleic acid	Multidomain protein (alpha and beta)
2RKM	Oligopeptide binding protein	Lys-Lys peptide	Alpha/beta
1I7D	DNA toposiomerase II	8-bases single-stranded DNA	Multidomain protein (alpha and beta)
1PFK	Phosphofructokinase	Fructose diphosphate	Alpha/beta

The proteins solved in complex with a ligand in the MolMov set are listed with their ligands. The first ten rows correspond to the protein whose predicted critical residues were close to the ligand; the last ten rows are the proteins whose predicted critical residues were not close to the ligand. The last column indicates the structural classification as indicated in the SCOP database.