Average distances (Å) between D386 sidechain (Oδ1-2) and the phosphate group of ATP, as well as the minimum distance value between the Hη hydrogens of the R363 sidechain and the Oγ of ATP, calculated along the replicated MD and TAMD trajectories.

In the second line, the dissociation intervals are given along with the final distance value. The dissociation was supposed to take place for distances larger than 3 Å. If no dissociation occurs, a dash sign is written. (d) Equilibrium between a partially dissociated and bounded positions of ATP. (f) Few isolated dissociation events take place along the trajectory.