Table 1.
Structural restraint and refinement statistics for FIV MA and related constructs
| MA | myr(−)MA | myr(−)MANOS | |
|---|---|---|---|
| NMR-derived restraints | |||
| Intraresidue | 295 | 308 | 274 |
| Sequential (|i-j| = 1) | 304 | 307 | 277 |
| Medium/long range (|i-j| > 1) | 353 | 359 | 322 |
| Hydrogen bonds | 306 | 306 | 306 |
| Protein-myristate | 10 | N/A | N/A |
| Total restraints | 1,268 | 1,280 | 1,179 |
| Average restraints per residue | 10.7 | 10.8 | 10.0 |
| Residual Restraint Violations | |||
| CYANA target function (Å2) | |||
| Mean (SD) | 0.075 (0.013) | 0.12 (0.026) | 0.14 (0.059) |
| Maximum violations (Å2) | |||
| Upper limits | 0.0076 (0.0008) | 0.0093 (0.0015) | 0.0071 (0.0024) |
| Lower limits | 0.0053 (0.0005) | 0.0003 (0.0002) | 0.0003 (0.0001) |
| Van der Waals | 1.3 (0.2) | 1.8 (0.3) | 1.9 (0.5) |
| Structure Convergence | |||
| Pairwise rms deviations [(Å2); Mean (SD)] | |||
| Backbone heavy atoms | 1.13 (0.27) | 1.10 (0.34) | 1.27 (0.25) |
| All heavy atoms | 1.83 (0.32) | 1.84 (0.45) | 2.08 (0.43) |
| Ramachandran Analyses | |||
| Most favored regions (%) | 88.8 | 92.2 | 91.4 |
| Additional allowed regions (%) | 8.6 | 7.8 | 8.6 |
| Generously allowed regions (%) | 2.6 | N/A | N/A |