CYANA

CYANA automates structure calculation of biological macromolecules from NMR-derived conformational constraints using the Combined Assignment and Dynamics Algorithm for NMR Applications.

Key Features:

• Automated NOESY peak assignment: Performs automated assignment of Nuclear Overhauser Effect SpectroscopY (NOESY) cross peaks to generate interproton distance restraints.
• Probabilistic assignment algorithm: Implements a probabilistic approach to NOESY peak assignment that extends the CANDID methodology and integrates statistical treatment of NOESY data.
• Distance constraint derivation: Analyzes NOESY spectra to derive distance constraints essential for three-dimensional model construction.
• Application to solution-state proteins: Has been extensively applied in protein structure determinations performed in solution.

Scientific Applications:

• Protein structure determination (solution NMR): Calculates three-dimensional protein structures using NOESY-derived distance restraints from NMR spectroscopy.
• Macromolecular structure elucidation: Supports structure determination of biological macromolecules based on NMR conformational constraints.
• Community benchmarking: Participated in the second round of the Critical Assessment of Structure Determination by NMR (CASP) for performance evaluation.

Methodology:

Automated assignment of NOESY cross peaks using a probabilistic/statistical approach to analyze NOESY spectra and derive interproton distance constraints.