Performance of modern non-polarizable force fields in modeling the enzyme-substrate complex of a canonical serine protease

Supplementary material for Manuscript "Performance of modern non-polarizable force fields in modeling the enzyme-substrate complex of a canonical serine protease". Here you can find PDB structures of trypsin — BPTI complex representing each cluster mentioned in the paper. The amino acid residues of the enzyme are numbered in accordance to the classical trypsin notation