PSO Based Neuro-fuzzy Model for Secondary Structure Prediction of Protein

Proteins may be defined as one of the most prominent structural and functional units of life. The structure of a protein is as diverse as the function it sustains. Knowledge about the structural folding of protein serves to ascertain its function. Experimental determination of protein function via its structure is a tedious and gradual process. Protein structure prediction thus; seeks to cultivate adequate ways aimed at providing plausible models for proteins whose structures remain unexplored. Hence, there is a dire need of computational tools to predict, evaluate and visualize the structures of unknown proteins from their amino acid sequences. However, the existing computational tools suffer from various drawbacks that affect their performance substantially like—low prediction accuracy, inefficient modeling of sequence–structure relationship, local methods lacking global exploration, and inability to suffice to the dynamic and exponentially growing data. Accordingly, swarm Intelligence based particle swarm optimization in combination with fuzzy sets has been introduced to propose a neural network based model for secondary structure prediction of protein. The data from six standard datasets namely- RS126, EVA6, CB396, CB513, Manesh and PSS504 has been utilized for the training and testing of the neural network. The model is evaluated using performance measures like- sensitivity, fallout, false discovery rate, miss-rate, specificity, false omission rate, precision, negative predictive value, Q3 accuracy and Matthews correlation coefficient. Sensitivity analysis and 10, 20, 30 and 40 fold cross validation has been performed for further verification of results. The proposed model resolves most of the issues addressed above, thus achieving an average Q3 accuracy of above 90% which is better than the existing tools for secondary structure prediction.

[1]  Janice I. Glasgow,et al.  Swarm Intelligence: Concepts, Models and Applications , 2012 .

[2]  Kuldip K. Paliwal,et al.  Capturing non‐local interactions by long short‐term memory bidirectional recurrent neural networks for improving prediction of protein secondary structure, backbone angles, contact numbers and solvent accessibility , 2017, Bioinform..

[3]  Jun Wang,et al.  Reliable asynchronous sampled-data filtering of T-S fuzzy uncertain delayed neural networks with stochastic switched topologies , 2020, Fuzzy Sets Syst..

[4]  Dong Xu,et al.  MUPRED: A tool for bridging the gap between template based methods and sequence profile based methods for protein secondary structure prediction , 2006, Proteins.

[5]  Byunghan Lee,et al.  Deep learning in bioinformatics , 2016, Briefings Bioinform..

[6]  J. Gibrat,et al.  GOR method for predicting protein secondary structure from amino acid sequence. , 1996, Methods in enzymology.

[7]  Stan Matwin,et al.  A review on particle swarm optimization algorithm and its variants to clustering high-dimensional data , 2013, Artificial Intelligence Review.

[8]  O. Ptitsyn,et al.  Statistical analysis of the correlation among amino acid residues in helical, beta-structural and non-regular regions of globular proteins. , 1971, Journal of molecular biology.

[9]  P. Y. Chou,et al.  Prediction of protein conformation. , 1974, Biochemistry.

[10]  Pierre Baldi,et al.  SSpro/ACCpro 5: almost perfect prediction of protein secondary structure and relative solvent accessibility using profiles, machine learning and structural similarity , 2014, Bioinform..

[11]  Dominik Heider,et al.  Unsupervised Dimension Reduction Methods for Protein Sequence Classification , 2012, GfKl.

[13]  P. Y. Chou,et al.  Conformational parameters for amino acids in helical, beta-sheet, and random coil regions calculated from proteins. , 1974, Biochemistry.

[14]  Andries Petrus Engelbrecht,et al.  Data clustering using particle swarm optimization , 2003, The 2003 Congress on Evolutionary Computation, 2003. CEC '03..

[15]  Dominik Heider,et al.  Deep learning on chaos game representation for proteins , 2020, Bioinform..

[16]  Li Wang,et al.  Corrigendum: The Serum Profile of Hypercytokinemia Factors Identified in H7N9-Infected Patients can Predict Fatal Outcomes , 2016, Scientific reports.

[17]  Jian Peng,et al.  Protein Secondary Structure Prediction Using Deep Convolutional Neural Fields , 2015, Scientific Reports.

[18]  Navdeep Jaitly,et al.  Next-Step Conditioned Deep Convolutional Neural Networks Improve Protein Secondary Structure Prediction , 2017, ArXiv.

[19]  Christophe Lemetre,et al.  An introduction to artificial neural networks in bioinformatics - application to complex microarray and mass spectrometry datasets in cancer studies , 2008, Briefings Bioinform..

[20]  R. L. Jernigan,et al.  Fast learning optimized prediction methodology (FLOPRED) for protein secondary structure prediction , 2012, Journal of Molecular Modeling.

[21]  S. Brunak,et al.  Protein secondary structure and homology by neural networks The α‐helices in rhodopsin , 1988 .

[22]  M. Schiffer,et al.  Use of helical wheels to represent the structures of proteins and to identify segments with helical potential. , 1967, Biophysical journal.

[23]  Zhen Liu,et al.  DBS: a fast and informative segmentation algorithm for DNA copy number analysis , 2019, BMC Bioinformatics.

[24]  Dominik Heider,et al.  Deep Learning on Chaos Game Representation for Proteins , 2019, bioRxiv.

[25]  David C. Jones,et al.  Progress in protein structure prediction. , 1997, Current opinion in structural biology.

[26]  Volker A. Eyrich,et al.  EVA: Large‐scale analysis of secondary structure prediction , 2001, Proteins.

[27]  T. Sejnowski,et al.  Predicting the secondary structure of globular proteins using neural network models. , 1988, Journal of molecular biology.

[28]  M J Sternberg,et al.  Progress in protein structure prediction: assessment of CASP3. , 1999, Current opinion in structural biology.

[29]  Kuang Lin,et al.  A simple and fast secondary structure prediction method using hidden neural networks , 2005, Bioinform..

[30]  Marimuthu Palaniswami,et al.  Protein Secondary Structure Prediction Using Support Vector Machines and a New Feature Representation , 2006, Int. J. Comput. Intell. Appl..

[31]  Han Zhang,et al.  A disease-related gene mining method based on weakly supervised learning model , 2019, BMC Bioinformatics.

[32]  G J Barton,et al.  Evaluation and improvement of multiple sequence methods for protein secondary structure prediction , 1999, Proteins.

[33]  B. Robson,et al.  Analysis of the Code Relating Sequence to Secondary Structure in Proteins , 1970, Nature.

[34]  Hao Shen,et al.  $\mathcal {H}_{\infty }$ Synchronization for Fuzzy Markov Jump Chaotic Systems With Piecewise-Constant Transition Probabilities Subject to PDT Switching Rule , 2021, IEEE Transactions on Fuzzy Systems.

[35]  Nashat Mansour,et al.  Protein structure prediction in the 3D HP model , 2009, 2009 IEEE/ACS International Conference on Computer Systems and Applications.

[36]  Zhihua Cui,et al.  Swarm Intelligence and Bio-Inspired Computation: Theory and Applications , 2013 .

[37]  Rayed AlGhamdi,et al.  Deep learning model with ensemble techniques to compute the secondary structure of proteins , 2020, The Journal of Supercomputing.

[38]  Stephen Muggleton,et al.  Protein secondary structure prediction using logic-based machine learning , 1992 .

[39]  K. R. Pardasani,et al.  Swarm optimization-based neural network model for secondary structure prediction of proteins , 2021, Network Modeling Analysis in Health Informatics and Bioinformatics.

[40]  Xin-She Yang,et al.  Swarm Intelligence and Bio-Inspired Computation , 2013 .

[41]  Yang Zhang Progress and challenges in protein structure prediction. , 2008, Current opinion in structural biology.

[42]  J Garnier,et al.  Protein structure prediction. , 1990, Biochimie.

[43]  Hao Shen,et al.  Interval Type-2 Fuzzy Passive Filtering for Nonlinear Singularly Perturbed PDT-Switched Systems and Its Application , 2021, J. Syst. Sci. Complex..

[44]  Lotfi A. Zadeh,et al.  Fuzzy Sets , 1996, Inf. Control..

[45]  J. Garnier,et al.  Improvements in a secondary structure prediction method based on a search for local sequence homologies and its use as a model building tool. , 1988, Biochimica et biophysica acta.

[46]  James Kennedy,et al.  Particle swarm optimization , 1995, Proceedings of ICNN'95 - International Conference on Neural Networks.

[47]  Sankar K. Pal,et al.  RNA Secondary Structure Prediction Using Soft Computing , 2013, IEEE/ACM Transactions on Computational Biology and Bioinformatics.

[48]  Kaibo Shi,et al.  Robust H∞ control for uncertain delayed T-S fuzzy systems with stochastic packet dropouts , 2020, Appl. Math. Comput..

[49]  Julian Lee,et al.  Measures for the assessment of fuzzy predictions of protein secondary structure , 2006, Proteins.

[50]  Ya Li,et al.  Protein secondary structure optimization using an improved artificial bee colony algorithm based on AB off-lattice model , 2014, Eng. Appl. Artif. Intell..

[51]  Feng Liu,et al.  Deep Learning and Its Applications in Biomedicine , 2018, Genom. Proteom. Bioinform..

[52]  Zhen Li,et al.  Protein Secondary Structure Prediction Using Cascaded Convolutional and Recurrent Neural Networks , 2016, IJCAI.

[53]  B. Rost,et al.  Combining evolutionary information and neural networks to predict protein secondary structure , 1994, Proteins.

[54]  Mohd Saberi Mohamad,et al.  Optimized Local Protein Structure with Support Vector Machine to Predict Protein Secondary Structure , 2011, KTW.

[55]  Yasaman Karami,et al.  Accelerating Protein Structure Prediction using Particle Swarm Optimization on GPU , 2015, bioRxiv.

[56]  Andrzej Kloczkowski,et al.  GOR V server for protein secondary structure prediction , 2005, Bioinform..

[57]  Craig W. Reynolds Flocks, herds, and schools: a distributed behavioral model , 1987, SIGGRAPH.

[58]  Liam J. McGuffin,et al.  The PSIPRED protein structure prediction server , 2000, Bioinform..

[59]  Albert Y. Zomaya,et al.  Parallel Ant Colony Optimization for 3D Protein Structure Prediction using the HP Lattice Model , 2005, IPDPS.

[60]  Christopher M. Bishop,et al.  Neural networks for pattern recognition , 1995 .

[61]  P Stolorz,et al.  Predicting protein secondary structure using neural net and statistical methods. , 1992, Journal of molecular biology.

[62]  Xiaolong Zhang,et al.  Improved Particle Swarm Optimization Algorithm for 2D Protein Folding Prediction , 2007, 2007 1st International Conference on Bioinformatics and Biomedical Engineering.

[63]  Huiqing Liu,et al.  DeepACLSTM: deep asymmetric convolutional long short-term memory neural models for protein secondary structure prediction , 2019, BMC Bioinformatics.

[64]  A. Benso,et al.  Multi-level and hybrid modelling approaches for systems biology , 2017, Computational and structural biotechnology journal.

[65]  C. Branden,et al.  Introduction to protein structure , 1991 .

[66]  Mehdi Sadeghi,et al.  Prediction of protein surface accessibility with information theory , 2001 .

[67]  A A Salamov,et al.  Prediction of protein secondary structure by combining nearest-neighbor algorithms and multiple sequence alignments. , 1995, Journal of molecular biology.

[68]  E. Myers,et al.  Basic local alignment search tool. , 1990, Journal of molecular biology.

[69]  Mahmood A. Rashid,et al.  Protein secondary structure prediction using neural networks and deep learning: A review , 2019, Comput. Biol. Chem..

[70]  B. Rost PHD: predicting one-dimensional protein structure by profile-based neural networks. , 1996, Methods in enzymology.

[71]  Alice C. McHardy,et al.  DeepPrime2Sec: Deep Learning for Protein Secondary Structure Prediction from the Primary Sequences , 2019, bioRxiv.

[72]  Shouming Zhong,et al.  Fuzzy quantized sampled-data control for extended dissipative analysis of T-S fuzzy system and its application to WPGSs , 2020, J. Frankl. Inst..

[73]  Jude W. Shavlik,et al.  Using knowledge-based neural networks to improve algorithms: Refining the Chou-Fasman algorithm for protein folding , 2004, Machine Learning.

[74]  B. Rost,et al.  Prediction of protein secondary structure at better than 70% accuracy. , 1993, Journal of molecular biology.

[75]  Michael N. Vrahatis,et al.  Particle Swarm Optimization and Intelligence: Advances and Applications , 2010 .

[76]  Joachim A Hering,et al.  Neuro‐fuzzy structural classification of proteins for improved protein secondary structure prediction , 2003, Proteomics.

[77]  Jyotshna Dongardive,et al.  Reaching optimized parameter set: protein secondary structure prediction using neural network , 2016, Neural Computing and Applications.

[78]  M. Cecchini,et al.  Ultrastructural Characterization of the Lower Motor System in a Mouse Model of Krabbe Disease , 2016, Scientific Reports.

[79]  Zhang Yi,et al.  Protein secondary structure prediction by using deep learning method , 2017, Knowl. Based Syst..

[80]  U Angela,et al.  Protein Secondary Structure Prediction using Deep Neural Network and Particle Swarm Optimization Algorithm , 2018, International Journal of Computer Applications.

[81]  Kai Mesa,et al.  Essential Cell Biology , 2015, The Yale Journal of Biology and Medicine.

[82]  B. Robson,et al.  Analysis of the code relating sequence to conformation in proteins: possible implications for the mechanism of formation of helical regions. , 1971, Journal of molecular biology.

[83]  P. Samaraweera,et al.  A Simple Comparison between Specific Protein Secondary Structure Prediction Tools , 2012 .

[84]  M. Karplus,et al.  Protein secondary structure prediction with a neural network. , 1989, Proceedings of the National Academy of Sciences of the United States of America.

[85]  Hao Wu,et al.  A fuzzy adaptive particle swarm optimization for RNA secondary structure prediction , 2011, International Conference on Information Science and Technology.

[86]  Mehdi Ghatee,et al.  FRAN and RBF-PSO as two components of a hyper framework to recognize protein folds , 2013, Comput. Biol. Medicine.