A complete, multi-level conformational clustering of antibody complementarity-determining regions.

ABSTRACT: Classification of antibody complementarity-determining region (CDR) conformations is an important step that drives antibody modelling and engineering, prediction from sequence, directed mutagenesis and induced-fit studies, and allows inferences on sequence-to-structure relations. Most of the previous work performed conformational clustering on a reduced set of structures or after application of various structure pre-filtering criteria. In this study, it was judged that a clustering of every available CDR conformation would produce a complete and redundant repertoire, increase the number of sequence examples and allow better decisions on structure validity in the future. In order to cope with the potential increase in data noise, a first-level statistical clustering was performed using stru

SUBMITTER: Nikoloudis D 

PROVIDER: S-EPMC4103072 | biostudies-literature | 2014

REPOSITORIES: biostudies-literature