Benchmark set.

Each row lists a test case. Columns Protein and Ligand contain the name of protein or ligand, Positions the indices of the mutable positions (for HIV protease along with the chain identifier, in the other cases the pocket is formed by one chain only), Mutants lists the variants: in subcolumn AA the amino acids at the mutable positions, in aff. the affinities of the variants, and in PDB the PDB identifier of the corresponding crystal structure, should one exist.