Table 3.
Statistics for the number of conformers and minimum RMSD obtained by the four methods utilized
| L95 | Mean | U95 | Standard deviation | ||
|---|---|---|---|---|---|
| Rotors | 6.74 | 7.719 | 8.699 | 3.774 | |
| Number of conformers | omega | 314.67 | 366.807 | 418.944 | 200.833 |
| nmrclust | 37.136 | 43.825 | 50.514 | 25.766 | |
| rms | 40.435 | 47.684 | 54.934 | 27.925 | |
| rms_avg | 47.36 | 64.982 | 82.605 | 67.881 | |
| Minimum RMSD (Angstroms, Å) | omega | 0.871 | 0.973 | 1.074 | 0.386 |
| nmrclust | 0.971 | 1.068 | 1.166 | 0.371 | |
| rms | 1.038 | 1.127 | 1.216 | 0.338 | |
| rms_avg | 1.045 | 1.131 | 1.218 | 0.327 |
L95 and U95 Lower and upper 95% confidence interval of the mean, respectively