Fig. 6: De novo sequencing of peptides with PTMs.

a A fine-tuning pipeline for PrimeNovo’s PTM prediction. b The methodology for selecting high-quality phosphopeptides predicted by PrimeNovo. c Performance metrics on the 21PTMs dataset (n = 21), including classification accuracy, amino acid-level recall, and peptide-level recall. d and (e) A comparative analysis of the actual input spectrum and the spectrum of the synthesized peptide predicted by PrimeNovo. The diagrams' upper sections display the original input spectrum, whereas the lower sections illustrate the spectrum generated from the predicted peptide sequence. Overlapping peaks are highlighted in red and blue for b-y ions. The cosine similarity is calculated based on spectrum encoding using the GLEAMS package. Source data are provided as a Source Data file. Some figures were created in BioRender56.