Figure 4.

Differences in contributions of the peptide residues to the total interaction energies with A24. The difference is between the interactions of p161 and those of the glycosylated peptides, namely (A) Galp161 and (B) A24-Glcp161. The colors correspond to energies ranging from −2 kcal mol⁻¹ to 2 kcal mol⁻¹ where red indicates that p161 residues are more stabilizing, while blue indicates that p161 residues are destabilizing. Residues that undergo large differences upon glycosylation are shown in sticks. GalNAc and GlcNAc are shown in spheres.