Figure 5. Computational modelling of the reaction of HOCl with the protein core and glycosaminoglycan chains of proteoglycans at 22 °C and pH 7.4.

Predicted consumption of HOCl by proteoglycan protein core and attached glycosaminoglycan chains expressed as percentage of total chlorine (Cl⁺) incorporated. (A) Human glypican-1. (B) Human perlecan. Black bars, heparan sulphate-derived GlcNH₂ (to give chloramines); cross-hatched bars, heparan sulphate-derived GlcNH₂ (to give dichloroamines); white bars, heparan sulphate-derived GlcNSO₃ (to give N-chlorosulphonamides), dark grey bars, heparan sulphate-derived GlcNAc (to give chloramides), indicated by arrowhead; light grey bars, protein residues (total of cysteine, cystine and methionine side chains); hatched bars, total of remaining protein components; *, HOCl/GlcNH₂ residues ratio of 1; **, HOCl/GlcNH₂ residues ratio of 2.