Example of Very High (VH)-BE structures belonging to the Elst-class (blue, BE = 1370 K) and Disp-class (orange, BE = 1492 K), and their location on the pASW surface, represented as an altitude map. The inset figures display a portion of the binding sites comprising 50 water molecules, represented as sticks. Water molecules within 4.5 Å of the CO center of mass (i.e., nearest neighbors, N_neighb) are highlighted.