Comparative modelling pipeline based on FUGUE, TOCCATA and MODELLER employing conformation-sensitive multiple template selection.

The VIVACE pipeline makes use of the domains identified by FUGUE to select a set of at most 5 best templates from the TOCCATA database according to various criteria, including similarity to the query and to each other, coverage of the target sequence, crystallographic quality and conformational compatibility. The selected templates are aligned to each other using BATON and then FUGUE is used to incorporate the query into it. This alignment is fed into MODELLER to generate a model, which is then rated by a battery of quality assessment programs to analyse its reliability.

Group Leader:Tom L Blundell