Fig. 3.
Effect of acidification on SctVC9. A. SctVC monomer surface rendering coloured by residue area of solvent exposure (light to dark blue). The predicted protonation sites at pH 5.0 are highlighted in red. B. Overview of the interface between protomers of the ring. In the inset, detailed visualisation of the salt-bridge network between E482, E488 and R534. The asterisk indicates the protonation of E482. C. Representative snapshots of SctVC9 during MD simulations at pH 7.2 and pH 5.0 with median ring apertures. D. Distribution of ring apertures during SctVC9 MD simulations, measured as the distance between R497 and L499 in chains opposed in the ring, such as A and E.