COMPASS

Comparative, Objective Measurement of Protein Architectures by Scoring Shifts


Synopsis

Experimental protein structure verification by scoring with a single, unassigned NMR spectrum.

Description

COMPASS identifies the best structures from a set of structural models by numerical comparison with a single, unassigned 2D (13)C-(13)C NMR spectrum containing backbone and side-chain aliphatic signals. COMPASS does not require resonance assignments. It is particularly well suited for interpretation of magic-angle spinning solid-state NMR spectra, but also applicable to solution NMR spectra.

Versions

NMRbox Version Software Version
1.0.0 1,
2.0.0 1,
3.0.0 1,

Keywords

  • Structure Determination
  • Structure Prediction
  • Automated Structure Determination

Citations

Experimental protein structure verification by scoring with a single, unassigned NMR spectrum
Courtney Joseph M, Ye Qing, Nesbitt Anna E, Tang Ming, Tuttle Marcus D, Watt Eric D, Nuzzio Kristin M, Sperling Lindsay J, Comellas Gemma, Peterson Joseph R,
Structure. 2015; 23(10): 1958--1966