Pathways to the distal site.
The heme group, OOH- and Cys436 are shown in magenta. The enzyme and tunnel coordinates shown are those of the corresponding centroid as in Fig 8. a) Pathways #1 (red), #2 (green) have been represented; coordinates from the F429H centroid were used. Bottleneck lining residues for pathway #1 and #2 have been represented in ball stick or licorice, respectively. b) Pathway #3 (F429L simulation) and corresponding bottleneck residues. c) Pathways #4 (WT simulation) and corresponding bottleneck residues.