In addition, in HisA and PriA, we observe the formation of a stacking interaction between the substrate ProFAR and the side chain of W145 in our conventional MD simulations (Figure ), with an average distance of 3.9 ± 0.3 Å and an angle g = 11.7 ± 5.5° between the center of mass of the imidazole ring of ProFAR and the indole ring of the W145 side chain during our simulations.