Table 2. Accuracy of inter-residue distance prediction for adenine-binding proteins from the SOIPPA dataset.

Structure dataset	Binding ligand
	ADP		ATP		FAD		NAD		SAH		SAM
	PCC a	MSE b	PCC a	MSE b	PCC a	MSE b	PCC a	MSE b	PCC a	MSE b	PCC a	MSE b
Crystal structures	0.79	6.4	0.73	8.1	0.96	2.4	0.89	4.6	0.95	1.6	0.76	7.2
High-quality models	0.75	7.3	0.72	8.6	0.92	4.6	0.86	6.1	0.94	1.9	0.88	3.6
Moderate-quality models	0.75	7.9	0.68	10.1	0.88	7.2	0.86	6.3	0.86	4.1	0.83	4.9

The Pearson correlation coefficient (PCC) and the mean squared error (MSE) are calculated for the actual pairwise Cα-Cα distances upon the superposition of binding ligands and those predicted by SVR from residue-level scores. The accuracy is reported separately for different binding ligands and target protein conformations including crystal structures, high- and moderate-quality protein models.

^aPearson correlation coefficient.

^bMean squared error in Å.