If you checked Predict ligand binding sites and protein function in the NovaFold Options screen, the Predicted Enzyme Function section of the NovaFold Report is available for Model 1, and for any model with a predicted TM-score ≥ 0.5. During calculation, NovaFold uses a database of known enzymes to predict whether the query sequence has an enzymatic function.

  • Rank - Orders the predicted ligands from one to ten, with one being the most likely. Use the checkboxes at the left of the Rank column to specify which enzymes to show when opening the model structure (see bottom of this row).
  • EC Number - The enzyme number and a link to the entry on the BRENDA database.
  • Confidence - Confidence score [0,1], with higher numbers denoting increased confidence.
  • Template - The name of the template with a link to the entry on the PDB website.
  • Site Residues - The numbers of the residues involved in the predicted binding site.

Click the link Open model with checked active sites to open the model structure with each of the checked active sites listed as features in the Features panel.

In certain cases, the next section of the NovaFold Report is Predicted Protein Function.

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