COCaDA-web - Database of contacts detected for Protein Data Bank (PDB) entries

COCaDA-web is an interactive web server for exploratory analysis of interatomic contacts in proteins. It builds upon the COCaDA (COntact search pruning by Cα Distance Analysis) command-line tool, which is aimed for large-scale protein interatomic contact detection. Both tools calculate seven types of contacts: hydrogen bonds, hydrophobic, attractive, repulsive, salt bridges, aromatic, and disulfide bridges. This dataset contains all contacts calculated for the Protein Data Bank (PDB) database (up to March 26th, 2026), separated into two ZIP files: cocada-web_20260401.zip: Contains all deposited asymmetric units in the PDB, up to 10,000 residues, totaling 243,382 unique entries; biologicalassemblies_cocada-web_20260401.zip: Contains all entries in the PDB containing a Biological Assembly that's different from the default Asymmetric Unit (only Biological Assembly 1 is included), totaling 83,214 entries. Inside the ZIP files there's a folder for each individual PDB entry (consisting of a set of four digits), containing two files in CSV format: 0ABC_contacts.csv: contains the list of contacts of the PDB entry in question. Each line is composed of the following entries: Chain1 (chain of residue 1), Res1 (code of residue 1), ResName1 (name of residue 1), Atom1 (atom of residue 1), Chain2 (chain of residue 2), Res2 (code of residue 2), ResName2 (name of residue 2), Atom2 (atom of residue 2), Distance (distance between atoms - in angstroms), Type (type of contact) 0ABC_info.csv: contains information about the entry. All structural data was extracted from the PDB (https://www.rcsb.org/), and contacts were calculated using COCaDA v1.6. The COCaDA-web server is available at http://bioinfo.dcc.ufmg.br/cocada-web.The COCaDA command line tool (source code) is available at https://github.com/LBS-UFMG/cocada.