Kotai Antibody Builder: automated high-resolution structural modeling of antibodies

Bioinformatics. 2014 Nov 15;30(22):3279-80. doi: 10.1093/bioinformatics/btu510. Epub 2014 Jul 26.

Abstract

Motivation: Kotai Antibody Builder is a Web service for tertiary structural modeling of antibody variable regions. It consists of three main steps: hybrid template selection by sequence alignment and canonical rules, 3D rendering of alignments and CDR-H3 loop modeling. For the last step, in addition to rule-based heuristics used to build the initial model, a refinement option is available that uses fragment assembly followed by knowledge-based scoring. Using targets from the Second Antibody Modeling Assessment, we demonstrate that Kotai Antibody Builder generates models with an overall accuracy equal to that of the best-performing semi-automated predictors using expert knowledge.

Availability and implementation: Kotai Antibody Builder is available at http://kotaiab.org

Contact: standley@ifrec.osaka-u.ac.jp.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Antibodies / chemistry*
  • Complementarity Determining Regions / chemistry
  • Internet
  • Models, Molecular*
  • Sequence Alignment
  • Software*
  • Structural Homology, Protein

Substances

  • Antibodies
  • Complementarity Determining Regions