FIG. 1.

Definition of a residue's Voronoi neighbors. (A) An example of Delaunay tessellation of a calcium-binding protein (PDB code: 1CDL, chain A): highlighted surfaces represent target residue 127E (red) and its Voronoi neighbors (green), an orange line denotes that there exists a common Voronoi facet between the two adjacent atoms; (B) a cartoon view of protein 1CDL_A: atoms of residue 127E (red) and its neighbors (green) are highlighted; and (C) 2D projection of Voronoi/Delaunay tessellation: dashed lines and solid lines represent Voronoi tessellation and Delaunay tessellation respectively.