Table 1.
Comparison of the diffusion tensors derived from experimental data (“exp.”) and calculated for the resulting structures (“calc.”). Shown are the principal components of the tensors and the angles between the corresponding principal axes, as indicated.
| Protein | MBP | HIV-1 protease | Ub2, closed | Ub2, open | ||||
|---|---|---|---|---|---|---|---|---|
| exp. | calc. | exp. | calc. | exp. | calc. | exp. | calc. | |
| Dx [107 s−1] | 0.81 | 0.79 | 1.33 | 1.34 | 1.53 | 1.60 | 1.53 | 1.61 |
|
| ||||||||
| Dy [107 s−1] | 0.83 | 0.84 | 1.41 | 1.41 | 1.73 | 1.61 | 1.73 | 1.63 |
|
| ||||||||
| Dz [107 s−1] | 1.08 | 1.08 | 1.85 | 1.87 | 2.20 | 2.28 | 2.20 | 2.27 |
|
| ||||||||
| Angles
| ||||||||
| Xexp to Xcalc | 1.74° | 9.65° | 5.31° | 16.73° | ||||
| Yexp to Ycalc | 1.24° | 9.68° | 11.95° | 27.66° | ||||
| Zexp to Zcalc | 1.31° | 0.86° | 10.83° | 22.01° | ||||