Abstract: Objective: To explore the feasibility and applicability of bioinformatics analysis in the identification of allergen linear B-cell epitopes. Methods: Fragments of the α-amylase/trypsin inhibitor wheat allergenic protein CM16 with digestive resistance were obtained by subjecting crude wheat protein extract (WPE) to simulated gastrointestinal digestion in vitro. The amino acid sequence and secondary structure of CM16 were analyzed by bioinformatics method, and its tertiary structure was determined by homology modeling. Results: Four linear B-cell epitopes of CM16 were predicted and compared with the digestion-resistant peptides identified by mass spectrometry (MS). It was found that two of the peptides partially overlapped, proving the feasibility and applicability of bioinformatics for identifying allergen linear B cell epitopes. Conclusion: The prediction of the linear B-cell epitopes of wheat allergen CM16 by bioinformatics will help us to gain further understanding of wheat allergens and more broadly provide an important basis for the identification and detection of wheat allergens.

Key words: wheat allergens, linear B-cell epitopes, simulated digestion, bioinformatics