Table 3.
Scaling force constants used in the refinement
Term | high temperature | initial | final | units |
---|---|---|---|---|
RDC | 0.001 | 0.001 | 1 | kcal/mol/Hz2 |
NOE | 30 | 2 | 30 | kcal/mol/Å2 |
Dihedral | 10 | 200 | 200 | kcal/mol/rad2 |
TADB | 0.002 | 0.002 | 1 | kcal/mol |
SANS | 100 | 100 | 100 | kcal/mol |
Bond | 1 | 1 | 1 | kcal/mol/ Å2 |
Angle | 0.4 | 0.4 | 1 | kcal/mol/rad2 |
Improper | 0.1 | 0.1 | 1 | kcal/mol/ rad2 |
Nbond | 0.004 | 0.004 | 4 | kcal/mol/ Å4 |
Radius | 1.2 | 0.9 | 0.8 | Å |