Table 2. Percent Occupancy for Mg²⁺ Atoms in Experimentally Determined RNA Binding Sites, Calculated for Folded Structures^a.

		folded cluster, Mg2+ (%)
binding site	atom	Aqvist	Merz	Villa	12-6-4	m12-6-4
1	U_7@OP1	3.15	2.75	2.54	32.88	11.55
	U_7@OP2	62.8	58.07	55.52	76.85	79.15
	U_7@O5′	0	0	n.f.	36	29.87
	G_8@OP1	5.94	4.93	4.5	15.53	28.82
	G_8@O3′	0.02	0.02	0.35	3.22	0.04
	A_9@OP1	11.95	10.41	10.32	19.38	6.74
	A_9@OP2	53.04	46.21	42.78	26.64	26.72
2	U_7@O2′	0.1	0.07	0.05	0.26	0.3
	G_8@N7	1.06	0.85	0.67	2.42	3.97
	A_9@N7	0	n.f.	n.f.	n.f.	0
3	U_6@O4	24.75	20.08	19.58	21.67	20.42
	U_7@O4	8.07	6.38	7.88	10.14	9.97
	C_10@OP1	19.53	16.51	17.54	17	13.01
	C_10@OP2	31	24.95	23.04	23.41	29.44
4	U_11@OP1	10.26	8.86	10.03	67.58	27.94
	U_11@O3′	0.08	0.05	8.31	3.54	0.87
	A_12@N7	0	n.f.	0	n.f.	n.f.

^an.f. = not found.