CoNSEnsX Compliance of NMR-derived Structural Ensembles with experimental data
0 The aim of the CoNSEnsX server is to offer straightforward analysis of protein structural ensembles as a whole. In particular, ensembles generated to reflect the internal dynamics of proteins at a given time scale should be analyzed differently to individual conformers. CoNSEnsX takes three files as input, a multi-model PDB file containing the protein ensemble, an X-PLOR format file with NOE-derived distance restraints and a BMRB format file with S2 order parameters, chemichal shifts, J-couplings and RDCs, as available for the given protein.
A set of sample files are available for testing purposes for SGCI (Schistocerca gregaria chymotrypsin inhibitor):
When publishing results obtained with CoNSEnsX, you are kindly asked to cite the relevant references from these:
  • Ángyán et al. (2010): CoNSEnsX: an ensemble view of protein structures and NMR-derived experimental data. BMC Struct. Biol. 10:39.
    [Abstract]
  • Ángyán et al. (2008): Fast protein fold estimation from NMR-derived distance restraints. Bioinformatics 24:272. (PRIDE-NMR reference)
    [Abstract]
  • Neal et al. (2003): Rapid and accurate calculation of protein 1H, 13C and 15N chemical shifts. J. Biomol. NMR 26:215. (SHIFTX reference)
    [Abstract]
  • Zweckstetter & Bax (2000): Prediction of sterically induced alignment in a dilute liquid crystalline phase: aid to protein strcuture determination by NMR. J. Am. Chem. Soc. 122:3791 (PALES reference)
    [Abstract]
Questions and suggestions regarding the CoNSEnsX server should go to Zoltán Gáspári (szpari at chem.elte.hu)