ProQ3: Improved model quality assessments using Rosetta energy terms.

Abstract:

:Quality assessment of protein models using no other information than the structure of the model itself has been shown to be useful for structure prediction. Here, we introduce two novel methods, ProQRosFA and ProQRosCen, inspired by the state-of-art method ProQ2, but using a completely different description of a protein model. ProQ2 uses contacts and other features calculated from a model, while the new predictors are based on Rosetta energies: ProQRosFA uses the full-atom energy function that takes into account all atoms, while ProQRosCen uses the coarse-grained centroid energy function. The two new predictors also include residue conservation and terms corresponding to the agreement of a model with predicted secondary structure and surface area, as in ProQ2. We show that the performance of these predictors is on par with ProQ2 and significantly better than all other model quality assessment programs. Furthermore, we show that combining the input features from all three predictors, the resulting predictor ProQ3 performs better than any of the individual methods. ProQ3, ProQRosFA and ProQRosCen are freely available both as a webserver and stand-alone programs at http://proq3.bioinfo.se/.

journal_name

Sci Rep

journal_title

Scientific reports

authors

Uziela K,Shu N,Wallner B,Elofsson A

doi

10.1038/srep33509

subject

Has Abstract

pub_date

2016-10-04 00:00:00

pages

33509

issn

2045-2322

pii

srep33509

journal_volume

6

pub_type

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