Performance Analysis of Deep Learning Methods for Protein Contact Prediction in CASP13

Abstract

Protein structure prediction is one of the most important problems in Computational Biology; and consists of determining the 3D structure of a protein given its amino acid sequence. A key component that has allowed considerable improvements in recent decades is the prediction of contacts in a protein, since it provides fundamental information about its three-dimensional structure. In the 13th edition of the CASP (Critical Assessment of protein Structure Prediction), a notable progress has been evidenced for both problems with the use of deep learning algorithms. For the contact prediction category, the best methods in CASP13 achieved an average precision of 70%. In the present work, the performance of these methods is analyzed using a larger data set, with 483 proteins from four families according to the structural classi cation of the SCOP database (Structural Classi cation of Proteins). The selected methods were evaluated using the CASP metrics, and their results indicate an average contact prediction precision greater than 90%. SPOT-Contact was the method with the best overall performance, and one of the methods with the best performance for each SCOP class. The set of proteins used for the experiments and the implementations made for the analysis are publicly available.

Keywords

• protein contact prediction
• protein structure prediction
• deep learning
• CASP
• SCOP