Intramolecular crosslinks observed in GlyBP by MALDI-TOF MS analysis after crosslinking with DMS.

<p>A) Representative mass spectrum of tryptic digest of excised monomeric GlyBP band. Mass peaks assigned as crosslinked peptides are labeled and further identified in <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0102571#pone-0102571-t001" target="_blank"><b>Table 1</b></a>. B) Average C_α-C_α Lys-Lys distances measured along the MD trajectory of assigned crosslinks are provided in the panel below. The calculation of distances is averaged over all 5 subunits/interfaces over the 2 ns long MD trajectory. The positions of the Lys residues in the modeled GlyBP (for simplicity, only the monomer is represented) are shown. The protein structure is shown in grey color in cartoon representation and C_α atoms of Lys residues are shown as colored spheres. C) The positions of Lys residues in the model of GlyBP for which we did not observe crosslinking (residue numbers in boxes): the panel shows the outer surface and the inner surfaces of a subunit - the latter also represented by space-filled model.