The RCI server -- rapid and accurate calculation of protein flexibility using chemical shifts
What you can do:
Predict protein flexibility by calculating the Random Coil Index from backbone chemical shifts.
Highlights:
- The random coil index (RCI) quantitatively estimates backbone root mean square fluctuations (RMSFs) of structural ensembles and order parameters using only chemical shifts.
- The RCI method is very fast (<5 s) and exceedingly robust.
- It also offers an excellent alternative to traditional methods of measuring protein flexibility.
- We have recently extended the RCI concept and implemented it as a web server.
- This server allows facile, accurate and fully automated predictions of MD RMSF values, NMR RMSF values and model-free order parameters (S2) directly from chemical shift assignments.
- It also performs automatic chemical shift re-referencing to ensure consistency and reproducibility.
- On average, the correlation between RCI predictions and experimentally obtained motional amplitudes is within the range from 0.77 to 0.82.
Keywords:
- Carbon Isotopes
- Hydrogen
- Molecular Conformation
- Nitrogen Isotopes
- Nuclear Magnetic Resonance
- protein flexibility
- random coil index
- RCI
Literature & Tutorials:
This record last updated: 06-03-2008