Cryptic sites. The initial list of 124 apo-cryptic PDB files and their corresponding experimental holo-proteins was curated from Meller, et al and Cimermancic, et al and/or scraped from the RCSB repository and refined further to a finalized list (cryptic-PDBs, SupplementaryFile1). By aligning the holo-protein counterparts of cryptic PDBs to apo-cryptic structure coordinates, a mock-covalent residue closest in distance to the ligand in the cryptic pocket of the apo-cryptic PDB was assigned to each cryptic PDB.