Table 1. Scoring results for possible tautomeric structures of the ligand AZM in PDB entry 3hs4 .

The correct tautomeric state data are highlighted in bold.

	SE	RSCC	ZDD	XModeScore
Structure 3hs4
3	5.55	0.989	12.8	2.72
2	8.89	0.978	24.9	−0.74
1	10.8	0.975	27.2	−1.98
Resolution 1.4 Å
3	5.89	0.989	9.42	2.77
2	9.31	0.981	18.1	−0.88
1	10.1	0.978	20.9	−1.88
Resolution 1.6 Å
3	6.01	0.987	7.87	2.72
2	8.71	0.980	14.3	−0.70
1	9.75	0.978	16.8	−2.02
Resolution 1.8 Å
3	6.13	0.988	6.18	2.13
2	6.46	0.982	11.4	0.40
1	9.24	0.978	14.6	−2.53
Resolution 2.0 Å
3	5.58	0.989	6.56	2.68
2	8.74	0.982	12.3	−1.24
1	7.86	0.975	15.6	−1.45
Resolution 2.2 Å
3	5.77	0.989	6.17	2.77
2	7.73	0.981	10.8	−1.31
1	8.35	0.984	10.0	−1.47
Resolution 2.5 Å
3	5.40	0.989	7.65	2.47
2	8.20	0.986	8.62	−0.04
1	11.1	0.984	9.48	−2.43
Resolution 2.8 Å
3	5.45	0.984	9.67	2.80
2	8.25	0.984	10.2	−1.39
1	8.74	0.982	10.1	−1.41
Resolution 3.0 Å
2	8.02	0.983	11.3	0.49
3	5.67	0.981	11.9	0.01
1	8.61	0.983	11.5	−0.50