Assignment validation software suite for the evaluation and presentation of protein resonance assignment data

Hunter N.B. Moseley, Gurmukh Sahota, Gaetano T. Montelione

Research output: Contribution to journalArticlepeer-review

91 Scopus citations

Abstract

We present a set of utilities and graphical user interface (GUI) tools for evaluating the quality of protein resonance assignments. The Assignment Validation Software (AVS) suite, together with new GUI features in the AutoAssign software package, provides a set of reports and graphs for validating protein resonance assignment data before its use in structure analysis and/or submission to the BioMagResBank (BMRB). Input includes a listing of resonance assignments and a summary of sequential connectivity data (i.e. triple resonance, NOE, or other data) used in deriving the assignments. These tools are useful for evaluating the accuracy of protein resonance assignments determined by either automated or manual method.

Original languageEnglish
Pages (from-to)341-355
Number of pages15
JournalJournal of Biomolecular NMR
Volume28
Issue number4
DOIs
StatePublished - Apr 2004

Bibliographical note

Funding Information:
We thank G.V.T. Swapna for helpful discussions and suggestions, and the intermediate RbfA assignments, James Aramini for ER14 and JR19 data and assignments, Daniel Monleon for WR33 assignments and spin system connectivity data, Marina Kiriyeva for Java coding related to the AutoAssign CMI Editor. We also thank Janet (Yuanpeng) Huang, David Snyder, and Michael Baran for useful comments on the manuscript. This work was supported by grants from the Protein Structure Initiative of the National Institute of Health (P50 GM62413) and The New Jersey Commission on Science and Technology (99-2042-007-13).

Keywords

  • AutoAssign
  • BioMagResBank
  • Structural proteomics

ASJC Scopus subject areas

  • Biochemistry
  • Spectroscopy

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