Fig. 4: Structural diversity of proteins with the same function.

We examine proteins that have the same function and plot the TM-score as a measure of structural similarity as a heatmap, with larger numbers (more yellow) representing more similar structures. We also map the residue-specific function predictions onto the structures on the right, where residues in red are responsible for the functions. a Gene ontology molecular function carbohydrate binding with GO number GO:0030246. Except for the protein shown in (F) which has high helical propensity, the proteins in this functional cluster have high β-sheet content. The largest cluster in the heatmap in yellow is also the largest novel-fold cluster. The salient residues responsible for this function overlay nicely across the proteins in this cluster. b Gene ontology biological process function ‘maintenance of CRISPR repeat elements’ with GO number GO:0043571. The largest cluster highlighted in yellow superimposes with Cas2 and the salient residues in red interact with DNA. c Enzyme commission number EC 4.99.1. with the function ‘Sole sub-class for lyases that do not belong in the other subclasses’. All structures in this functional cluster have the same fold and the salient residues responsible for this function overlay onto the same structural motif in the protein. More details in the text. Source data for this figure are provided in the source data file.