Figure A3.

The end-to-end distance, r, time series and corresponding histograms of the dominant conformational clusters for the (a) cnX, (b) cnD, (c) cnA and (d) cnA’ GXM chains. For each molecule, the end-to-end distance of the dominant conformational cluster is plotted in blue, the secondary conformational cluster in orange, tertiary in green and quaternary in grey. Lesser clusters are not shown. Percentages for each cluster relative to the total simulation are listed in the legends. The first 100 ns of simulation are considered equilibration and are not shown. Here r is defined to exclude the two terminal residues on either end of the chain, as the distance from O3 in the second linkage to O3 in the 16th linkage in the 18-mannose backbone—labeled for cnA in the image on the right. The residues and substitutions are coloured as follows: $\alpha$DMan—green; $\beta$DGlcA—blue; $\beta$DXyl—pink and 6-OAc—red.