Fig. 2

Analysis of tunnels in pairs of ligand-bound and ligand-free structures and the entire annotated dataset. A The number of common tunnels found in both ligand-bound and ligand-free structures. B Probability of distribution of CAVER priority score for the best five clusters in pairs of structures. C Distribution of the priority score for the first three tunnels in all proteins from the dataset with calculated tunnels. The analyses show that the first three tunnels are commonly present in enzyme–ligand complexes and ligand-free structures. These tunnels have the best geometrical parameters and are suitable for ligand un/binding. Tunnels with the priority above 0.55 could be potentially biologically relevant