Dataset Information

SDN2GO: An Integrated Deep Learning Model for Protein Function Prediction.

ABSTRACT: The assignment of function to proteins at a large scale is essential for understanding the molecular mechanism of life. However, only a very small percentage of the more than 179 million proteins in UniProtKB have Gene Ontology (GO) annotations supported by experimental evidence. In this paper, we proposed an integrated deep-learning-based classification model, named SDN2GO, to predict protein functions. SDN2GO applies convolutional neural networks to learn and extract features from sequences, protein domains, and known PPI networks, and then utilizes a weight classifier to integrate these features and achieve accurate predictions of GO terms. We constructed the training set and the independent test set according to the time-delayed principle of the Critical Assessment of Function Annotation (CAFA) and compared it with two highly competitive methods and the classic BLAST method on the independent test set. The results show that our method outperforms others on each sub-ontology of GO. We also investigated the performance of using protein domain information. We learned from the Natural Language Processing (NLP) to process domain information and pre-trained a deep learning sub-model to extract the comprehensive features of domains. The experimental results demonstrate that the domain features we obtained are much improved the performance of our model. Our deep learning models together with the data pre-processing scripts are publicly available as an open source software at https://github.com/Charrick/SDN2GO.

SUBMITTER: Cai Y

PROVIDER: S-EPMC7201018 | biostudies-literature | 2020

REPOSITORIES: biostudies-literature

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SDN2GO: An Integrated Deep Learning Model for Protein Function Prediction.

Cai Yideng Y Wang Jiacheng J Deng Lei L

Frontiers in bioengineering and biotechnology 20200429

The assignment of function to proteins at a large scale is essential for understanding the molecular mechanism of life. However, only a very small percentage of the more than 179 million proteins in UniProtKB have Gene Ontology (GO) annotations supported by experimental evidence. In this paper, we proposed an integrated deep-learning-based classification model, named SDN2GO, to predict protein functions. SDN2GO applies convolutional neural networks to learn and extract features from sequences, p ...[more]

PMID: 32411695

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Project description:MotivationProtein contacts contain key information for the understanding of protein structure and function and thus, contact prediction from sequence is an important problem. Recently exciting progress has been made on this problem, but the predicted contacts for proteins without many sequence homologs is still of low quality and not very useful for de novo structure prediction.MethodThis paper presents a new deep learning method that predicts contacts by integrating both evolutionary coupling (EC) and sequence conservation information through an ultra-deep neural network formed by two deep residual neural networks. The first residual network conducts a series of 1-dimensional convolutional transformation of sequential features; the second residual network conducts a series of 2-dimensional convolutional transformation of pairwise information including output of the first residual network, EC information and pairwise potential. By using very deep residual networks, we can accurately model contact occurrence patterns and complex sequence-structure relationship and thus, obtain higher-quality contact prediction regardless of how many sequence homologs are available for proteins in question.ResultsOur method greatly outperforms existing methods and leads to much more accurate contact-assisted folding. Tested on 105 CASP11 targets, 76 past CAMEO hard targets, and 398 membrane proteins, the average top L long-range prediction accuracy obtained by our method, one representative EC method CCMpred and the CASP11 winner MetaPSICOV is 0.47, 0.21 and 0.30, respectively; the average top L/10 long-range accuracy of our method, CCMpred and MetaPSICOV is 0.77, 0.47 and 0.59, respectively. Ab initio folding using our predicted contacts as restraints but without any force fields can yield correct folds (i.e., TMscore>0.6) for 203 of the 579 test proteins, while that using MetaPSICOV- and CCMpred-predicted contacts can do so for only 79 and 62 of them, respectively. Our contact-assisted models also have much better quality than template-based models especially for membrane proteins. The 3D models built from our contact prediction have TMscore>0.5 for 208 of the 398 membrane proteins, while those from homology modeling have TMscore>0.5 for only 10 of them. Further, even if trained mostly by soluble proteins, our deep learning method works very well on membrane proteins. In the recent blind CAMEO benchmark, our fully-automated web server implementing this method successfully folded 6 targets with a new fold and only 0.3L-2.3L effective sequence homologs, including one β protein of 182 residues, one α+β protein of 125 residues, one α protein of 140 residues, one α protein of 217 residues, one α/β of 260 residues and one α protein of 462 residues. Our method also achieved the highest F1 score on free-modeling targets in the latest CASP (Critical Assessment of Structure Prediction), although it was not fully implemented back then.Availabilityhttp://raptorx.uchicago.edu/ContactMap/.

Dataset Information

SDN2GO: An Integrated Deep Learning Model for Protein Function Prediction.

Publications

SDN2GO: An Integrated Deep Learning Model for Protein Function Prediction.

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