RosettaBackrub--a web server for flexible backbone protein structure modeling and design

Nucleic Acids Res. 2010 Jul;38(Web Server issue):W569-75. doi: 10.1093/nar/gkq369. Epub 2010 May 12.

Abstract

The RosettaBackrub server (http://kortemmelab.ucsf.edu/backrub) implements the Backrub method, derived from observations of alternative conformations in high-resolution protein crystal structures, for flexible backbone protein modeling. Backrub modeling is applied to three related applications using the Rosetta program for structure prediction and design: (I) modeling of structures of point mutations, (II) generating protein conformational ensembles and designing sequences consistent with these conformations and (III) predicting tolerated sequences at protein-protein interfaces. The three protocols have been validated on experimental data. Starting from a user-provided single input protein structure in PDB format, the server generates near-native conformational ensembles. The predicted conformations and sequences can be used for different applications, such as to guide mutagenesis experiments, for ensemble-docking approaches or to generate sequence libraries for protein design.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Internet
  • Models, Molecular
  • Point Mutation
  • Protein Conformation*
  • Protein Interaction Mapping
  • Proteins / genetics
  • Sequence Analysis, Protein
  • Software*
  • User-Computer Interface

Substances

  • Proteins