(a) Per-residue RMSFs for ZnF 3 in Model 1 to Model 4. (b) The three-dimensional structure diagram of ZnF3 (4OPX). The interaction interfaces of ZnF3/DSB and ZnF3/CAT are represented by blue and red, respectively, and the corresponding residues are shown in blue and red. (c) Per-residue energy contribution spectra of ZnF3 on the surface of ZnF3/DSB. Red, blue, green, and yellow bars represent Lig1, Lig2, Lig3, and WLig. (d) Per-residue energy contribution spectra of ZnF3 on the surface of ZnF3/CAT. Red, blue, green, and yellow bars represent Lig1, Lig2, Lig3, and WLig.</p