Figure 1
Replica analysis.
Comparison of the 12 replicas originated from two different equilibration outputs. The state represented corresponds to the 100 ns step. The periplasmic opening is indicated by the red Van der Waals surface plot of the waters used to calculate volumes in Table 1. Y33 and Y256 are indicated as large spheres in blue and purple, respectively. The crystal structures of XylE, MelB, YajR and FucP are plotted for comparison. Replica A.1 embedded in the lipid bilayer, solvated and ionized is depicted in Fig. S3.
