From protein structure to function
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Updated: Oct 20, 2026

A Protocol for Computer-Based Protein Structure and Function Prediction
Published on: November 3, 2011
C A Orengo1, A E Todd, J M Thornton
1Biomolecular Structure and Modelling Unit, Department of Biochemistry, University College London, UK. cath@biochem.ucl.ac.uk
Abstract:
Several databases of protein structural families now exist-organised according to both evolutionary relationships and common folding arrangements. Although these lag behind sequence databases in size, the prospect of structural genomics initiatives means that they may soon include representatives of many of the sequence families. To some extent, functional information can be derived from structural similarity. For some structural families, their function is highly conserved, whereas, for others, it can only be inherited or derived on the basis of additional information (e.g. sequence patterns, common residue clusters and characteristic surface properties).
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