Figure A4.

The time series for the distances between interacting side chains in the cnA’ molecule labeled on the right. (a) The $\beta$DGlcA and $\beta$DXyl distance d1, (b) the $\beta$DXyl and $\beta$DXyl distance d2 (c) the $\beta$DGlcA and $\beta$DXyl distance d3 and (d) the $\beta$DXyl and $\beta$DXyl distance d4. Here in each case d is defined to as the distance from C4 in one residue to C4 in the proximal side chain residue. The first 100 ns of simulation are considered equilibration and are not shown. The residues and substitutions are coloured as follows: $\alpha$DMan—green; $\beta$DGlcA—blue; $\beta$DXyl—pink and 6-OAc—red.