Table 1. Structural statistics of the 15 NMR conformers derived from TAD calculations representing the solution structure of the DNA dT-bulge and dU-bulge molecules.
| A2TA2 | A2UA2 | |
|---|---|---|
| NOE distance restraints | 645 | 671 |
| Sequential distances | 251 | 274 |
| Intra-residue distances | 386 | 397 |
| Non-NOE distance restraints | 6 | 0 |
| Hydrogen bonding restraints | 26 | 26 |
| Torsion angle restraints | 235 | 235 |
| Average restraints per residue | 31 | 32 |
| DYANA target function (Å2) | 2.77 ± 0.01 | 2.55 ± 0.01 |
| Distance limit deviations >0.2 Å | 0 | 0 |
| Dihedral angle deviations >5° | 0 | 0 |
| Mean pairwise RMSD, all heavy atoms (Å) | 1.23 ± 0.46 | 0.86 ± 0.41 |
| RMSD relative to mean structure, all heavy atoms (Å) | 1.18 ± 0.46 | 0.74 ± 0.34 |