An Improved Integration of Template-Based and Template-Free Protein Structure Modeling Methods and its Assessment in CASP11

Abstract

Most computational protein structure prediction methods are designed for either template based or template-free (ab initio) structure prediction. The approaches that integrate the prediction capabilities of both template-based modeling and template-free modeling are needed to synergistically combine the two kinds of methods to improve protein structure prediction. In this work, we develop a new method to integrate several protein structure prediction methods including our template-based MULTICOM server, our ab initio contact-based protein structure prediction method CONFOLD, our multi-template-based model generation tool MTMG, and locally installed external Rosetta, I-TASSER and RaptorX protein structure prediction tools to improve protein structure prediction of a fullspectrum difficulty ranging from easy, to medium and to hard. Our method participated in the 11(th) community-wide Critical Assessment of Techniques for Protein Structure Prediction (CASP11) in 2014 as MULTICOM-NOVEL server. It was ranked among top 10 methods for protein tertiary structure prediction according to the official CASP11 assessment, which demonstrates that integrating complementary modeling methods is useful for advancing protein structure prediction.