Empirical 3JCO-HA values and angular backbone constraints can be interconverted following well-known Karplus relationships.VALUES
3JCO-HA=3.62*cos2(fi+120) - 2.11*cos(fi+120) + 1.29 ( 96JACS2483 ) 3JCO-HA=3.76*cos2(fi+120) - 1.63*cos(fi+120) + 0.89 ( 99JB1-14 ) where fi is the backbone torsion angle.
The expected 3JCO-HA coupling constants values found in the secondary structure of proteins:MEASUREMENT
- Alpha-helix: -0.4 Hz
- 310-helix: 0.2 Hz
- Beta-strand: 1.4 Hz
- Extended conformation > 2.5 Hz
13C,15N-labeled proteinsRELATED TOPICS
- E.COSY experiments
- Spin-state Selective
- J-Quantitative
The same dihedral angle information can be obtained from other coupling constants values: