Figure 4. Molecular Modeling and Bottom-up Proteomics of CXL-treated AVD.
(A) A surface fill projection of the AVD X-ray structure (PDBID: AVD1), with all surface-accessible lysine residues colored green. (B) The same surface projection, with overlaid red-colored lysine residues indicated all those observed to be modified and/or cross-linked during bottom-up proteomics experiments. (C) A surface projection of an example molecular model built to mimic CXL AVD samples. These models exhibit an increase in CCS of 8.5% on average, in agreement with our experimental measurements (5–10% CCS increase).