Table 1.
Experimental constraints and calculation statistics
| d(TGCTTCGT) | d(TCGTTGCT) | d<pCGCTCCGT> | |
|---|---|---|---|
| Experimental distance constraints | |||
| Total number | 318 | 336 | 214 |
| Intra-subunit | 240 | 274 | 162 |
| Intra-residue | 152 | 182 | 94 |
| Sequential | 52 | 54 | 38 |
| Range > 1 | 36 | 38 | 30 |
| Inter-subunit | 78 | 62 | 52 |
| RMSD | |||
| All bases well-defineda | 0.3 ± 0.1 | 0.3 ± 0.1 | 0.4 ± 0.1 |
| All heavy atoms well-defineda | 0.8 ± 0.1 | 0.9 ± 0.1 | 0.9 ± 0.1 |
| All heavy atoms | 2.3 ± 0.5 | 2.9 ± 0.6 | 2.5 ± 0.5 |
| Sum of violations (Å) (average and range) | 7.0 (6.6–7.6) | 8.0 (7.6–8.3) | 2.5 2.2–2.9 |
| Max. violation (Å) (average and range) | 0.38 (0.35–0.49) | 0.49 (0.43–0.58) | 0.25 0.22–0.27 |
| Av. NOE energy (kcal/mol) | 27 | 37 | 8 |
| Range of NOE energies (kcal/mol) | 25–30 | 38–43 | 7–10 |
aAll except residues 1, 5, 9 and 13.