Fig. 5: Scatter plots comparing the betweenness centrality of WT residues and the average minimal path length variation (Δdmin = dminMUT—dminWT, see Methods for the definition of dmin) of mutants with respect to WT residues along the noncanonical paths against the free-energy perturbation of activation (ΔΔGG) and of inactivation (ΔΔGI).
From: Noncanonical electromechanical coupling paths in cardiac hERG potassium channel
Panels a and b refer to betweenness centrality vs | ΔΔGG | and betweenness centrality vs | ΔΔGI | , respectively. Panels c and d refer to Δdmin vs ΔΔGG and Δdmin vs ΔΔGI, respectively. Green lines are linear fits to the data computed by the regression analysis derived by n = 8 independent samples (i.e., points in each panel) and “r” is the corresponding correlation coefficient. The values of ΔΔGG and ΔΔGI are presented on Table 3. They were evaluated from Eqs. 8 and 9 from the fitted values obtained from Figs. 2j and 4k, respectively. The procedure to obtain ΔΔGG and ΔΔGI is described in Methods. Data are presented as mean values ± standard error (SE) associated to the energies and mean ± SD for betweenness centrality and the average minimal path length variation. The number of cells of biologically independent experiments associated with calculations of the activation and inactivation energies and the standard error associated to them are shown in Figs. 2j and 4k, respectively.
