Table 1.
Experimental constraints | |
NOE distance constraints | 564 |
Intraresidue | 331 |
Sequential | 181 |
Long and medium range | 52 |
Hydrogen bonding and planarity constraints | 90 |
Dihedral constraints | 124 |
Total experimental constraints | 778 |
(Average number per nucleotide) | 31.1 |
Structure analysis* | |
Average NOE violations in converged structure (>0.2 Å) | 0 |
Angle violations in converged structures (>5°) | 0 |
rms deviation from average structure (Å)† | |
Full structure | 3.18 Å ± 0.56 |
Double-helical stem (G−1–A5; U12–C17) | 0.93 Å ± 0.27 |
Bulge loop (C−2–A5; U12–G18) | 2.60 Å ± 0.48 |
Loop (A5-U12) | 2.93 Å ± 0.45 |
Average deviations from ideal covalent geometry are comparable to those in other publications from our laboratory (28).
Calculated more than 33 converged structures of 50 calculated structures.