Computational Study of Correlated Domain Motions in the AcrB Efflux Transporter

Figure 3

Comparison of two methods to obtain spatial correlations for the T monomer in the unbiased simulation freeDyn. In both symmetric triangular parts of the graph each yellow point corresponds to a Pearson correlation coefficient greater than 0.5. In the upper left triangular part each blue point has a generalized correlation coefficient greater than 0.5. Correlation values are only displayed if the RMSF of the related residues is larger than 1.5 Å. The lightly colored regions describe the periplasmic subdomains PN1 + PN2 (blue—residues 42 to 177 and 287 to 325) and PC1 + PC2 (green—residues 571 to 721 and 822 to 859), respectively, as well as the transmembrane helix 8 (red).