Accurate prediction of protein secondary structure (alpha‐helix, beta‐strand and coil) is a crucial step for protein inter‐residue contact prediction and ab initio tertiary structure prediction. In a previous study, we developed a deep belief network‐based protein secondary structure method (DNSS1) and successfully advanced the prediction accuracy beyond 80%. In this work, we developed multiple advanced deep learning architectures (DNSS2) to further improve secondary structure prediction. The major improvements over the DNSS1 method include (a) designing and integrating six advanced one‐dimensional deep convolutional/recurrent/residual/memory/fractal/inception networks to predict 3‐state and 8‐state secondary structure, and (b) using more sensitive profile features inferred from Hidden Markov model (HMM) and multiple sequence alignment (MSA). Most of the deep learning architectures are novel for protein secondary structure prediction. DNSS2 was systematically benchmarked on independent test data sets with eight state‐of‐art tools and consistently ranked as one of the best methods. Particularly, DNSS2 was tested on the protein targets of 2018 CASP13 experiment and achieved the Q3 score of 81.62%, SOV score of 72.19%, and Q8 score of 73.28%. DNSS2 is freely available at:
This content will become publicly available on May 8, 2024
Improving Inter-Helix Contact Prediction With Local 2D Topological Information
Inter-helix contact prediction is to identify residue contact across different helices in α-helical integral membrane proteins. Despite the progress made by various computational methods, contact prediction remains as a challenging task, and there is no method to our knowledge that directly tap into the contact map in an alignment free manner. We build 2D contact models from an independent dataset to capture the topological patterns in the neighborhood of a residue pair depending it is a contact or not, and apply the models to the state-of-art method's predictions to extract the features reflecting 2D inter-helix contact patterns. A secondary classifier is trained on such features. Realizing that the achievable improvement is intrinsically hinged on the quality of original predictions, we devise a mechanism to deal with the issue by introducing, 1) partial discretization of original prediction scores to more effectively leverage useful information 2) fuzzy score to assess the quality of the original prediction to help with selecting the residue pairs where improvement is more achievable. The cross-validation results show that the prediction from our method outperforms other methods including the state-of-the-art method (DeepHelicon) by a notable degree even without using the refinement selection scheme. By applying the refinement selection scheme, our method outperforms the state-of-the-art method significantly in these selected sequences.
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- Award ID(s):
- 1820103
- NSF-PAR ID:
- 10437655
- Date Published:
- Journal Name:
- IEEE/ACM Transactions on Computational Biology and Bioinformatics
- ISSN:
- 1545-5963
- Page Range / eLocation ID:
- 1 to 12
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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Abstract https://github.com/multicom-toolbox/DNSS2 . -
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