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. Author manuscript; available in PMC: 2016 Dec 18.
Published in final edited form as: Anal Chem. 2016 May 2;88(10):5290–5298. doi: 10.1021/acs.analchem.6b00518

Figure 4. Molecular Modeling and Bottom-up Proteomics of CXL-treated AVD.

Figure 4

(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).