Extended Data Fig. 7: Distribution of the minimal distances between the metal-binding residue pairs predicted by MetalNet.
From: Co-evolution-based prediction of metal-binding sites in proteomes by machine learning
The blue block shows the distribution of residue-residue pairwise distances for metal-binding residues from known metalloproteins in the PDB database. Black solid lines show the distribution of mean distances in GREMLIN models for the metal-binding coevolved sites predicted by MetalNet. The distributions generally agree well with each other until 4.5 Å, suggesting that a large portion of MetalNet predictions indeed have metal-binding residues in proximity with each other. Since GREMLIN does not take metal-binding into consideration during structural modeling, the disagreement after 4.5 Å may come from either false positive prediction by MetalNet, or some errors in structural modeling by GREMLIN.
