Figure 5
Time evolution of calculated properties ΔG*binding as a function of time for each point in the MM-PBSA analysis for ATPMg2 binding to site 1 (top panel) and site 2 (middle panel) of the FO model. The solid line indicates the average binding energy at each site, in site 2 this excludes the interval delimited by arrows. Bottom panel: time evolution of the distance between Arg269' carbocation and ATP γ-phosphate. The correlation of ΔG*binding at site 2 to this interaction distance is apparent.