Customised fragments libraries for protein structure prediction based on structural class annotations

What is it about?

When homologous structures are not available, fragment-based protein structure prediction has become the approach of choice. However, it still has many issues including poor performance when targets’ lengths are above 100 residues, excessive running times and sub-optimal energy functions. Those limitations are addressed by integrating structural constraints in the fragment selection process

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Why is it important?

The proposed methodology produces models the quality of which is up to 7% higher in average than those generated by arguably the most popular fragment-based predictor, i.e. Rosetta. Since this method can be applied easily, we believe it should be considered before conducting any fragment-based protein structure prediction.