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Modeling Conformation of Protein Loops by Bayesian Network

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Part of the book series: Lecture Notes in Computer Science ((LNBI,volume 6330))

Abstract

Modeling protein loops is important for understanding characteristics and functions for protein, but remains an unsolved problem of computational biology. By employing a general Bayesian network, this paper constructs a fully probabilistic continuous model of protein loops, refered to as LoopBN. Direct affection between amino acids and backbone torsion angles can be learned under the framework of LoopBN. The continuous torsion angle pair of the loops can be captured by bivariate von Mises distribution. Empirical tests are conducted to evaluate the performance of LoopBN based on 8 free modeling targets of CASP8. Experimental results show that LoopBN not only performs better than the state-of-the-art modeling method on the quality of loop sample set, but also helps de novo prediction of protein structure by providing better sample set for loop refinement.

Supported by National Science Foundation of China under the grant number 60970055.

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References

  1. Heuser, P., Wohlfahrt, G., Schomburg, D.: Efficient methods for filtering and ranking fragments for the prediction of structurally variable regions in proteins. Proteins 54, 583–595 (2004)

    Article  Google Scholar 

  2. Jiang, H., Blouin, C.: Ab initio construction of all-atom loop conformations. Molecular Modeling 12, 221–228 (2006)

    Article  Google Scholar 

  3. Cortes, J., Simeon, T., Remaud-Simeon, M., Tran, V.: Geometric algorithms for the conformational analysis of long protein loops. J. Comput. Chem. 25, 956–967 (2004)

    Article  Google Scholar 

  4. Canutescu, A.A., Dunbrack Jr., R.L.: A robotics algorithm for protein loop closure. Protein Sci. 12, 963–972 (2003)

    Article  Google Scholar 

  5. Rohl, C.A., Struss, C.E.M., Misura, K.M.S., Barker, D.: Protein structure prediction using rosetta. Methods In Enzymology 383, 66–93 (2004)

    Article  Google Scholar 

  6. Bradley, P., Misura, K.M.S., Barker, D.: Toward high-resolution de novo strcture prediction for small protein. Science 309(5742), 1868–1871 (2005)

    Article  Google Scholar 

  7. Zhang, Y., Skolnick, J.: Automated structure prediction of weakly homologous proteins on a genomic scale. PNAS 101, 7594–7599 (2004)

    Article  Google Scholar 

  8. Zhang, Y.: I-tasser server for protein 3d structure prediction. BMC Biol. 9, 40 (2008)

    Article  Google Scholar 

  9. Wu, S., Skolnick, J., Zhang, Y.: Ab initio modeling of small prediction by iterative tasser simulation. BMC Biology 5, 17 (2007)

    Article  Google Scholar 

  10. Berman, H.M., Westbrook, J., Feng, Z., Gilliland, G., Bhat, T.N., Weissig, H., Shindyalov, I.N., Bourne, P.E.: The protein data bank. Nucleic Acids Research 28(1), 235–242 (2000)

    Article  Google Scholar 

  11. Rohl, C.A., Strauss, C.E.M., Chivian, D., Baker, D.: Modeling structurally variable regions in homologous proteins with rosetta. Proteins 55, 656–677 (2004)

    Article  Google Scholar 

  12. Boomsma, W., Mardia, K.V., Taylor, C.C., Ferkinghoff-Borg, J., Krogh, A., Hamelryck, T.: A generative, probabilistic model of local protein structure. PNAS 105, 8932–8937 (2008)

    Article  Google Scholar 

  13. Yang, P., Lü, Q., Yang, L., Wu, J., Wen, W.: A generative probabilistic model for loop modeling. Computers and Applied Chemistry(in Chinese) (2010) (in press)

    Google Scholar 

  14. Fiser, A., Do, R.K.G., Sali, A.: Modeling of loops in protein structures. Protein Sci. 9, 1753–1773 (2000)

    Article  Google Scholar 

  15. Ramachandran, G.N., Ramakrishnan, C., Sasisekharan, V.: Stereochemistry of polypeptide chain configurations. J. Mol. Biol. 7, 95–99 (1963)

    Article  Google Scholar 

  16. Mardia, K.V., Taylor, C.C., Subramaniam, G.K.: Protein bioinformatics and mixtures of bivariate von mises distributions for angular data. Biometrics 63, 505–512 (2007)

    Article  MATH  MathSciNet  Google Scholar 

  17. Walle Van, I., Lasters, I., Wyns, L.: Sabmarkda benchmark for sequence alignment that covers the entire known fold space. Bioinformatics 21, 1267–1268 (2005)

    Article  Google Scholar 

  18. Murzin, A.G., Brenner, S.E., Hubbard, T., Hubbard, T., Chothia, C.: Scop: a structural classification of proteins database for the investigation of sequences and structures. J. Mol. Biol. 247, 536–540 (1995)

    Google Scholar 

  19. Kabsch, W., Sander, C.: Dictionary of protein secondary structure: Pattern recognition of hydrogen-bonded and geometrical features. Biopolymers 22, 2577–2637 (1983)

    Article  Google Scholar 

  20. Schwarz, G.: Estimating the dimension of a model. Ann. Stat. 6, 461–464 (1978)

    Article  MATH  Google Scholar 

  21. Kullback, S., Leibler, R.A.: On information and sufficiency. Ann. Math. Stat. 22, 79–86 (1951)

    Article  MATH  MathSciNet  Google Scholar 

  22. Bishop, C.M.: Pattern recognition and machine learning. Springer, New York (2006)

    MATH  Google Scholar 

  23. Wu, J., Lü, Q., Huang, X., Yang, L.: De novo prediction of protein backbone by parallel ant colonies (October 2009) (in submission), http://www.zhhz.net/~qiang/pacBackbone

  24. Lü, Q., Xia, X., Qian, P.: A parallel aco approach based on one pheromone matrix. In: Dorigo, M., Gambardella, L.M., Birattari, M., Martinoli, A., Poli, R., Stützle, T. (eds.) ANTS 2006. LNCS, vol. 4150, pp. 332–339. Springer, Heidelberg (2006)

    Google Scholar 

  25. Read, R.J., Chavali, G.: Assessment of casp7 predictions in the high accuracy template-based modeling category. Proteins: Structure, Function, and Bioinformatics (2007)

    Google Scholar 

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Yang, P., Lü, Q., Yang, L., Wu, J. (2010). Modeling Conformation of Protein Loops by Bayesian Network. In: Li, K., Jia, L., Sun, X., Fei, M., Irwin, G.W. (eds) Life System Modeling and Intelligent Computing. ICSEE LSMS 2010 2010. Lecture Notes in Computer Science(), vol 6330. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-15615-1_51

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  • DOI: https://doi.org/10.1007/978-3-642-15615-1_51

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-15614-4

  • Online ISBN: 978-3-642-15615-1

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