*3.4. Interaction Analysis*

To explore the possible interactions between HpzA and HSA, all the docked conformations for the ligand output file were separated. The interaction analysis of HpzA with HSA was carried out through the Discovery Studio Visualizer (2021) [43] and PyMOL (2021) [44] tools. First, the binding pose of HpzA with HSA was selected based on the specific interaction, and then the HSA–HpzA protein–ligand complex was generated for further studies in MD simulation.
