Benchmark of Pep2Path on 18 recently discovered NRPS BGCs.

For each tag size, all possible search tags of that size in the test set of peptides (Table S1) were used as queries. For each BGC search space size, 50 search spaces were generated from randomly selected BGCs from the same (sub)phylum that the NRP originates from. The resulting percentages represent the average number of cases in which the correct BGC ended up as the (shared) best hit across all possible sequence tags and across all possible search space permutations. Shared best hits were included because of the frequent presence of orthologous BGCs encoding the same molecule in related genomes. The n in the left column signifies the number of test peptides large enough to be included in the analysis for this tag size; from each of these test peptides, all possible subtags were used in cases where the length of the tag is shorter than the length of the peptide.Benchmark of Pep2Path on 18 recently discovered NRPS BGCs.