Table 8.

Classification of the different types of protein-ligand atom contacts in three categories: less probable (0), probable (1) and very probable (2)

Ligand atom types	Protein atom types
	ACC	NEG	DON	POS	HDX	ALP	ARM
C_l	0	0	0	0	0	0	1
C_r	0	0	0	0	0	1	1
N_+	1	2	0	0	0	0	0
N_d	2	2	0	0	1	0	0
N_a	0	0	1	0	0	0	0
N_r	2	0	0	0	0	0	1
O_a	0	0	1	1	0	0	0
O_-	0	0	1	2	2	0	0
O_h	0	2	1	0	0	0	0