TABLE 3.
MolProbity (41) structure validation for the representative structure of ASC and average values for the reported PYD and CARD NMR structures
| ASC | Average valuea | |
|---|---|---|
| All-atom contacts, Clashscore for all atomsb,c | 72 | 43 |
| MolProbity Scoreb | 31 | 23 |
| Ramachandran outliers | 4.7% | 3.0% |
| Ramachandran favored | 90.2% | 85.8% |
| Rotamer outliers | 9.5% | 14.5% |
| Cβ deviations > 0.25 Å | 0 | 0.64 |
| Residues with bad bonds | 0% | 1.0% |
| Residues with bad angles | 0% | 0.3% |
a Average values were calculated using the representative model of the reported CARD and PYD NMR structures: isolated PYD of ASC (25), NALP1-PYD (55), ASC2 (56), NALP10-PYD (PDB entry 2DO9), PYD of myeloid cell nuclear differentiation antigen (PDB entry 2DBG), Apaf-1-CARD (26, 65), ICEBERG (66), RAIDD-CARD (67), NOD1-CARD (Ref. 68, and PDB entry 2DBD).
b 100 is the best structure quality score.
c Clashscore is the number of serious steric overlaps (>0.4 Å) per 1000 atoms.