Mapping pocket locations to the protein atoms and residues simplifies comparison between methods and proteins. (A) Proteins of identical sequence can be compared at either residue or atomic levels. Combining the atomic scores derived from the PASS and LIGSITE-cs results for IL-2 (Figure 1A) identifies common pocket-lining atoms (Provar score = 1), which can be mapped back to protein surface (yellow). (B) Homologous proteins can be compared at the residue level. Equivalent pocket-lining residues (yellow) of IL-2 and LIF, highlighted on a surface representation of IL-2, were identified as residues with a Provar score of 1 for LIGSITE-cs-derived sequence aligned residues (c.f. Figure 1B). (C) Residues with a score of 1 are mapped onto the surface of LIF.