Bioinformatic assignment of PKZILLA ketoreductase (KR) stereochemical outcome based on application of a literature trans-AT KR diagnostic residue heuristic

Code, derived files, and results from PKZILLA ketoreductase (KR) stereochemical outcome analysis, based of the heuristic described in Supplementary Figure 4 of (Helfrich et al. 2019). E. J. N. Helfrich et al., “Automated structure prediction of trans-acyltransferase polyketide synthase products,” Nat Chem Biol, vol. 15, no. 8, Art. no. 8, Aug. 2019, doi: 10.1038/s41589-019-0313-7.