Figure 6
From: Analyzing protein topology based on Laguerre tessellation of a pore-traversing water network
Optimal channel radius as a function of z. On the left, the radius profiles of the widest direct paths are plotted for all snapshots in the last 10 ns of the ligand-free form (top) and complexed form (bottom) simulations of FepA. The origin z = 0 is at the protein centre. On the right is shown the Laguerre representation of all the widest direct paths used for the radius plot. The paths are coloured according to their localisation around the plug domain. The blue direct paths are conserved in both forms; whereas green paths appear as indirect in the ligand-free form (top right) and potential precursors of direct paths in the complexed form (bottom right).
