Figure 6.

Snapshot from the Fig. 5, top panel (green (+) plot) trajectory illustrating two hydrogen bonds between sialic acid carboxyl oxygens (red) and two guanidinium hydrogens (white) from the Arg41 sidechain. Panel A shows the CD44 backbone in cartoon representation, with Arg41 and Asn25 as van der Waals spheres, and glycan (covalently linked to Asn25) in ball and stick representation. Panel B is a close-up view of the Arg41 sidechain and sialic acid interaction.