Table S2.
NMR and refinement statistics for nucleic acids
| Statistic | IAPV PKI 10 lowest-energy structures |
| NMR distance and dihedral constraints | |
| Distance restraints | |
| Total NOE | 36 |
| Intraresidue | 0 |
| Interresidue | 36 |
| Sequential (|i − j| = 1) | 12 |
| Nonsequential (|i − j| > 1) | 24 |
| Hydrogen bonds | 25 |
| Total dihedral angle restraints | 548 |
| Base pair | 147 |
| Sugar pucker | 401 |
| Backbone | 401 |
| Based on A-form geometry | 347 |
| RDCs | 29 |
| Structure statistics | |
| Violations, mean ± SD | |
| Distance constraints, Å | 0.094 ± 0.002 |
| Hydrogen bond constraints, Å | 0.031 ± 0.003 |
| Dihedral angle constraints, ° | 1.39 ± 0.06 |
| Max. dihedral angle violation, ° | 14.8 |
| Max. distance constraint violation, Å | NA |
| RDCs, Hz* | 2.62 ± 1.19 |
| Deviations from idealized geometry, mean ± SD | |
| Bond lengths, Å | 0.005 ± 0.000 |
| Bond angles, ° | 0.870 ± 0.005 |
| Impropers, ° | 0.71 ± 0.01 |
| Average pairwise rmsd, ņ | |
| All RNA heavy | 1.28 |
*
The axial (Da) and rhombic (R) components of the alignment tensor of the 10 lowest-energy refined structures are Da = −49.8 ± 0.3 Hz and R = 0.54 ± 0.01. The R factor = 3.78 ± 0.27 and Rinfinity (%) = 10.22 ± 0.74 are defined as in X-PLOR-NIH (56).
†
Pairwise rmsd calculated among the 10 lowest-energy (out of 100) refined structures.