Reboul, Cyril F.; Mahmood, Khalid; Whisstock, James C.; Dunstone, Michelle A.
Predicting giant transmembrane beta-barrel architecture
BIOINFORMATICS, 28:1299-1302, MAY 15 2012

Results: Through comparison of molecular models with experimental data, we are able to identify how giant CDC beta-barrels utilize a 'near parallel' arrangement of beta-strands where S=n/2. Furthermore, we show how side-chain packing within the beta-barrel lumen is an important limiting factor with respect to the possible shear values for small beta-barrels (n < 24 beta-strands). In contrast, our models reveal no such limitation restricts the shear value of giant beta-barrels (n > 24 beta-strands). Giant beta-barrels can thus access a different architecture compared with smaller beta-barrels.

DOI:10.1093/bioinformatics/bts152

Find full text with Google Scholar.