Supplementary file 1_Mapping the major B-cell linear epitope of silkworm (Bombyx mori) pupal chitinase and molecular dynamics insights into its IgE-binding stability.pdf

Despite the identification of the novel allergen Bombyx mori chitinase (BmChi), its precise linear B-cell epitopes and molecular mechanisms of IgE recognition remain uncharacterized. In this hypothesis-generating study, we systematically mapped the linear B-cell epitopes of BmChi and evaluated their structural dynamics.

Following bioinformatic predictions, a high-resolution in vitro screening using 109 overlapping peptides successfully identified peptide S31 (residues 536-548) as the major dominant epitope. To gain atomistic insights into the BmChi-IgE interaction, homology modeling and molecular docking were conducted, revealing a structurally stable complex supported by extensive hydrogen-bonding networks within flexible loop regions.