Contents

• 1. Introduction
• 2. How to run AQUA and PROCHECK-NMR
• 3. Input requirements
• 4. AQUA outputs and analysis tools
• 5. PROCHECK-NMR outputs
• 6. Customizing the PROCHECK-NMR plots
• 7. Selecting model- and residue-ranges
• 8. Viewing restraint violations in 3D

• References

• Appendix A - Brookhaven PDB file format
• Appendix B - AQUA restraint file formats
• Appendix C - Joining and splitting PDB files

• Sample plots