Immunoinformatics pp 289-297 | Cite as
EPCES and EPSVR: Prediction of B-Cell Antigenic Epitopes on Protein Surfaces with Conformational Information
- 1k Downloads
Abstract
Accurate prediction of discontinuous antigenic epitopes is important for immunologic research and medical applications, but it is not an easy problem. Currently, there are only a few prediction servers available, though discontinuous epitopes constitute the majority of all B-cell antigenic epitopes. In this chapter, we describe two online servers, EPCES and EPSVR, for discontinuous epitope prediction. All methods were benchmarked by a curated independent test set, in which all antigens had no complex structures with the antibody, and their epitopes were identified by various biochemical experiments. The servers and all datasets are available at http://sysbio.unl.edu/EPCES/ and http://sysbio.unl.edu/EPSVR/.
Key words
B-cell epitope prediction Support vector machineNotes
Acknowledgments
The work is supported by funding under C.Z.’s startup funds from the University of Nebraska, Lincoln, NE. This work was completed utilizing the Holland Computing Center of the University of Nebraska.
References
- 1.Parker JM, Guo D, Hodges RS (1986) New hydrophilicity scale derived from high-performance liquid chromatography peptide retention data: correlation of predicted surface residues with antigenicity and X-ray-derived accessible sites. Biochemistry 25 (19):5425–5432CrossRefGoogle Scholar
- 2.Emini EA, Hughes JV, Perlow DS et al (1985) Induction of hepatitis a virus-neutralizing antibody by a virus-specific synthetic peptide. J Virol 55(3):836–839CrossRefGoogle Scholar
- 3.Karplus PA, Schulz GE (1985) Prediction of chain flexibility in proteins - a tool for the selection of peptide antigens. Naturwissenschaften 72(4):212–213CrossRefGoogle Scholar
- 4.Kolaskar AS, Tongaonkar PC (1990) A semi-empirical method for prediction of antigenic determinants on protein antigens. FEBS Lett 276(1–2):172–174. https://doi.org/10.1016/0014-5793(90)80535-qCrossRefPubMedPubMedCentralGoogle Scholar
- 5.Larsen JE, Lund O, Nielsen M (2006) Improved method for predicting linear B-cell epitopes. Immunome Res 2:2. https://doi.org/10.1186/1745-7580-2-2CrossRefPubMedPubMedCentralGoogle Scholar
- 6.Saha S, Raghava GP (2006) Prediction of continuous B-cell epitopes in an antigen using recurrent neural network. Proteins 65(1):40–48. https://doi.org/10.1002/prot.21078CrossRefGoogle Scholar
- 7.Chen J, Liu H, Yang J et al (2007) Prediction of linear B-cell epitopes using amino acid pair antigenicity scale. Amino Acids 33(3):423–428. https://doi.org/10.1007/S00726-006-0485-9CrossRefGoogle Scholar
- 8.El-Manzalawy Y, Dobbs D, Honavar V (2008) Predicting linear B-cell epitopes using string kernels. J Mol Recognit 21(4):243–255. https://doi.org/10.1002/jmr.893CrossRefPubMedPubMedCentralGoogle Scholar
- 9.Blythe MJ, Flower DR (2005) Benchmarking B cell epitope prediction: underperformance of existing methods. Protein Sci 14(1):246–248. https://doi.org/10.1110/ps.041059505CrossRefPubMedPubMedCentralGoogle Scholar
- 10.Greenbaum JA, Andersen PH, Blythe M et al (2007) Towards a consensus on datasets and evaluation metrics for developing B-cell epitope prediction tools. J Mol Recognit 20(2):75–82. https://doi.org/10.1002/jmr.815CrossRefPubMedGoogle Scholar
- 11.Sweredoski MJ, Baldi P (2009) COBEpro: a novel system for predicting continuous B-cell epitopes. Protein Eng Des Sel 22(3):113–120. https://doi.org/10.1093/protein/gzn075CrossRefGoogle Scholar
- 12.Yang X, Yu X (2009) An introduction to epitope prediction methods and software. Rev Med Virol 19(2):77–96. https://doi.org/10.1002/rmv.602CrossRefPubMedPubMedCentralGoogle Scholar
- 13.MHV VR (1996) Mapping epitope structure and activity: from one-dimensional prediction to four-dimensional description of antigenic specificity. Methods 9(3):465–472CrossRefGoogle Scholar
- 14.Kulkarni-Kale U, Bhosle S, Kolaskar AS (2005) CEP: a conformational epitope prediction server. Nucleic Acids Res 33(Web Server issue):W168–W171. https://doi.org/10.1093/nar/gki460CrossRefPubMedPubMedCentralGoogle Scholar
- 15.Andersen PH, Nielsen M, Lund O (2006) Prediction of residues in discontinuous B-cell epitopes using protein 3D structures. Protein Sci 15(11):2558–2567. https://doi.org/10.1110/Ps.062405906CrossRefGoogle Scholar
- 16.Sweredoski MJ, Baldi P (2008) PEPITO: improved discontinuous B-cell epitope prediction using multiple distance thresholds and half sphere exposure. Bioinformatics 24(12):1459–1460. https://doi.org/10.1093/bioinformatics/btn199CrossRefGoogle Scholar
- 17.Ponomarenko J, Bui HH, Li W et al (2008) ElliPro: a new structure-based tool for the prediction of antibody epitopes. BMC Bioinformatics 9(514). https://doi.org/10.1186/1471-2105-9-514
- 18.Sun J, Wu D, Xu T et al (2009) SEPPA: a computational server for spatial epitope prediction of protein antigens. Nucleic Acids Res 37(Web Server issue):W612–W616. https://doi.org/10.1093/nar/gkp417CrossRefPubMedPubMedCentralGoogle Scholar
- 19.Rubinstein ND, Mayrose I, Pupko T (2009) A machine-learning approach for predicting B-cell epitopes. Mol Immunol 46(5):840–847. https://doi.org/10.1016/j.molimm.2008.09.009CrossRefPubMedGoogle Scholar
- 20.Rubinstein ND, Mayrose I, Martz E et al (2009) Epitopia: a web-server for predicting B-cell epitopes. BMC Bioinformatics 10:–287. https://doi.org/10.1186/1471-2105-10-287CrossRefGoogle Scholar
- 21.Liang S, Zheng D, Zhang C et al (2009) Prediction of antigenic epitopes on protein surfaces by consensus scoring. BMC Bioinformatics 10:302. https://doi.org/10.1186/1471-2105-10-302CrossRefPubMedPubMedCentralGoogle Scholar
- 22.Liang S, Zheng D, Standley DM et al (2010) EPSVR and EPMeta: prediction of antigenic epitopes using support vector regression and multiple server results. BMC Bioinformatics 11:381. https://doi.org/10.1186/1471-2105-11-381CrossRefPubMedPubMedCentralGoogle Scholar
- 23.Ponomarenko JV, Bourne PE (2007) Antibody-protein interactions: benchmark datasets and prediction tools evaluation. BMC Struct Biol 7:64. https://doi.org/10.1186/1472-6807-7-64CrossRefPubMedPubMedCentralGoogle Scholar
- 24.Mintseris J, Wiehe K, Pierce B et al (2005) Protein-Protein Docking Benchmark 2.0: an update. Proteins 60(2):214–216. https://doi.org/10.1002/prot.20560CrossRefPubMedGoogle Scholar
- 25.Huang J, Honda W (2006) CED: a conformational epitope database. BMC Immunol 7:7. https://doi.org/10.1186/1471-2172-7-7CrossRefPubMedPubMedCentralGoogle Scholar
- 26.Fan RE, Chen PH, Lin CJ (2005) Working set selection using second order information for training support vector machines. J Mach Learn Res 6:1889–1918Google Scholar
- 27.Liang S, Zhang J, Zhang S et al (2004) Prediction of the interaction site on the surface of an isolated protein structure by analysis of side chain energy scores. Proteins 57(3):548–557CrossRefGoogle Scholar
- 28.Jones S, Thornton JM (1997) Analysis of protein-protein interaction sites using surface patches. J Mol Biol 272(1):121–132CrossRefGoogle Scholar
- 29.Liang S, Zhang C, Liu S et al (2006) Protein binding site prediction using an empirical scoring function. Nucleic Acids Res 34(13):3698–3707. https://doi.org/10.1093/nar/gkl454CrossRefPubMedPubMedCentralGoogle Scholar
- 30.Jones S, Thornton JM (1997) Prediction of protein-protein interaction sites using patch analysis. J Mol Biol 272(1):133–143. https://doi.org/10.1006/jmbi.1997.1233CrossRefPubMedGoogle Scholar
- 31.Pellequer JL, Westhof E, Van Regenmortel MH (1993) Correlation between the location of antigenic sites and the prediction of turns in proteins. Immunol Lett 36(1):83–99CrossRefGoogle Scholar
- 32.Zhou HX, Qin S (2007) Interaction-site prediction for protein complexes: a critical assessment. Bioinformatics 23(17):2203–2209. https://doi.org/10.1093/bioinformatics/btm323CrossRefPubMedGoogle Scholar
- 33.Henikoff S, Henikoff JG (1992) Amino acid substitution matrices from protein blocks. Proc Natl Acad Sci U S A 89(22):10915–10919CrossRefGoogle Scholar
- 34.Liang S, Grishin NV (2004) Effective scoring function for protein sequence design. Proteins 54(2):271–281. https://doi.org/10.1002/prot.10560CrossRefPubMedGoogle Scholar
- 35.Jones S, Thornton JM (1997) Analysis of protein-protein interaction sites using surface patches. J Mol Biol 272(1):121–132. https://doi.org/10.1006/jmbi.1997.1234CrossRefGoogle Scholar
- 36.Chou PY, Fasman GD (1978) Empirical predictions of protein conformation. Annu Rev Biochem 47:251–276. https://doi.org/10.1146/annurev.bi.47.070178.001343CrossRefPubMedGoogle Scholar