LocaPep: localization of epitopes on protein surfaces using peptides from phage display libraries

J Chem Inf Model. 2011 Jun 27;51(6):1465-73. doi: 10.1021/ci200059c. Epub 2011 May 11.

Abstract

The use of peptides from a phage display library selected by binding to a given antibody is a widespread technique to probe epitopes of antigenic proteins. However, the identification of interaction sites mimicked by these peptides on the antigen surface is a difficult task. LocaPep is a computer program developed to localize epitopes using a new clusters algorithm that focuses on protein surface properties. The program is constructed with the aim of providing a flexible computational tool for predicting the location of epitopes on protein structures. As a first set of testing results, the localization of epitope regions in eight different antigenic proteins for which experimental data on their antibody interactions exist is correctly identified by LocaPep. These results represent a disparate sample of biologically different systems. The program is freely available at http://atenea.montes.upm.es.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Allergens / chemistry
  • Antigens, Plant
  • Computational Biology / methods*
  • Epitopes / immunology*
  • Factor VIII / chemistry
  • HIV Envelope Protein gp120 / chemistry
  • Humans
  • Membrane Glycoproteins / chemistry
  • Models, Molecular
  • Peptide Library*
  • Plant Proteins
  • Protein Conformation
  • Protein Structure, Tertiary
  • Proteins / chemistry*
  • Prunus
  • Receptor, ErbB-2 / chemistry
  • Severe acute respiratory syndrome-related coronavirus
  • Software*
  • Spike Glycoprotein, Coronavirus
  • Viral Envelope Proteins / chemistry

Substances

  • Allergens
  • Antigens, Plant
  • Epitopes
  • HIV Envelope Protein gp120
  • Membrane Glycoproteins
  • Peptide Library
  • Plant Proteins
  • Proteins
  • Pru p 3 allergen
  • Spike Glycoprotein, Coronavirus
  • Viral Envelope Proteins
  • gp120 protein, Human immunodeficiency virus 1
  • Factor VIII
  • Receptor, ErbB-2