title: An extensive library of surrogate peptides for all human proteins.
abstract: Selecting the most appropriate surrogate peptides to represent a target protein is a major component of experimental design in Multiple Reaction Monitoring (MRM). Our software PeptidePicker with its v-score remains distinctive in its approach of integrating information about the proteins, their tryptic peptides, and the suitability of these peptides for MRM that is available online in UniProtKB, NCBI's dbSNP, ExPASy, PeptideAtlas, PRIDE, and GPMDB. The scoring algorithm reflects our "best knowledge" for selecting candidate peptides for MRM, based on the uniqueness of the peptide in the targeted proteome, its physiochemical properties, and whether it has previously been observed. Here we present an updated approach where we have already compiled a list of all possible surrogate peptides of the human proteome. Using our stringent selection criteria, the list includes 165k suitable MRM peptides covering 17k proteins of the human reviewed proteins in UniProtKB. Compared to average of 2-4min per protein for retrieving and integrating the information, the precompiled list includes all peptides available instantly. This allows a more cohesive and faster design of a multiplexed MRM experiment and provides insights into evidence for a protein's existence. We will keep this list up-to-date as proteomics data repositories continue to grow. This article is part of a Special Issue entitled: Computational Proteomics.
authors.affiliation: University of Victoria-Genome British Columbia Proteomics Centre, University of Victoria, Victoria, BC V8Z 7X8, Canada; Center for Proteomics and Metabolomics, Leiden University Medical Center, The Netherlands.
authors.forename: Yassene
authors.initials: Y
authors.lastname: Mohammed
authors.affiliation: University of Victoria-Genome British Columbia Proteomics Centre, University of Victoria, Victoria, BC V8Z 7X8, Canada; Department of Biochemistry & Microbiology, University of Victoria, Victoria, BC V8P 5C2, Canada. Electronic address: christoph@proteincentre.com.
authors.forename: Christoph H
authors.initials: CH
authors.lastname: Borchers
mesh_terms: D000595:Amino Acid Sequence; D003628:Database Management Systems; D030562:Databases, Protein; D006801:Humans; D016247:Information Storage and Retrieval / Q000379:methods*; D013058:Mass Spectrometry / Q000379:methods*; D008969:Molecular Sequence Data; D010455:Peptides / Q000737:chemistry*; D020543:Proteome / Q000737:chemistry*; D016415:Sequence Alignment / Q000379:methods; D020539:Sequence Analysis, Protein / Q000379:methods*; D014584:User-Computer Interface
chemical_list: D010455:Peptides; D020543:Proteome
keywords: Data integration; Multiple reaction monitoring (MRM); Peptide selection; SRM; Scientific workflow; Targeted proteomics