Fig. 3: Identification of metal sites within 5 Å.
From: Metal3D: a general deep learning framework for accurate metal ion location prediction in proteins
a Comparison of Metal1D, Metal3D, BioMetAll, MIB, MIB2 on the test set held out from training of Metal1D and Metal3D. Predicted sites are counted as true positives (TP) if they are within 5 Å of a true metal location and as false negatives (FN) otherwise. False positive (FP) probes are clustered and counted once per cluster. The main parameter for each method (t Metal1d, p Metal3D, c BioMetAll, t MIB/MIB2) is explained in Table S5 *For MIB/MIB2 we used 2 structures less because the server did not accept these structures. b Precision-Recall curve for all tested tools for the binding site task split into all zinc sites in the test set (dotted lines), sites with 2+ unique coordination partners (dashed lines) and sites with 3+ unique coordination partners (solid lines).
