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PRSS1 and trypsin inhibitor binding. The 3-D structures of SPINK1, BPTI, and PRSS1 were downloaded from Protein Data Bank (accession number: SPINK1, 1cgj; BPTI, 2ptc, and PRSS1, 2ra3). Hydrogen atoms were added to these structures by using PyMOL software. Molecular docking simulations for PRSS1 and SPINK1 were the carried out by using ZDOCK.
