Protein / ligand pair models Whenever possible the protein/ligand pdb files were downloaded from crystallographic 3D models from the RCSB-PDB bank (Research Collaboratory for Structural Bioinformatics-Protein Data Bank) corresponding solved structures in complex with their reference ligand (Table ). The complex pdb corresponding to rat Vkorc1 3 and A.baumannii LolEC 1 were alphafold modeled from their human and E.coli targets, respectively. Alphafold modeling were performed by Sokrypton Colab Alphafold ipynb () .