OREMPRO web server: orientation and assessment of atomistic and coarse-grained structures of membrane proteins.

ABSTRACT

UNLABELLED The experimental determination of membrane protein orientation within the lipid bilayer is extremely challenging, such that computational methods are most often the only solution. Moreover, obtaining all-atom 3D structures of membrane proteins is also technically difficult, and many of the available data are either experimental low-resolution structures or theoretical models, whose structural quality needs to be evaluated. Here, to address these two crucial problems, we propose OREMPRO, a web server capable of both (i) positioning α-helical and ß-sheet transmembrane domains in the lipid bilayer and (ii) assessing their structural quality. Most importantly, OREMPRO uses the sole alpha carbon coordinates, which makes it the only web server compatible with both high and low structural resolutions. Finally, OREMPRO is also interesting in its ability to process coarse-grained protein models, by using coordinates of backbone beads in place of alpha carbons. AVAILABILITY AND IMPLEMENTATION http//www.dsimb.inserm.fr/OREMPRO/ CONTACT guillaume.postic@univ-paris-diderot.fr or jean-christophe.gelly@univ-paris-diderot.fr SUPPLEMENTARY INFORMATION Supplementary data are available at Bioinformatics online.