Table 1.
Apo CARD | Zn2+-bound CARD | |
---|---|---|
PDB code | 6E26 | 6E25 |
BMRB code | 30492 | 30491 |
Assignments (%)a | 89 (97) | 81 (77) |
1H | 91 (97) | 90 (97) |
13C | 91 (98) | 72 (49) |
15N | 76 (96) | 75 (95) |
NOE restraints | 1509 | 1592 |
Intra-residue (i = j) | 423 | 407 |
Sequential (|i − j| = 1) | 410 | 421 |
Medium range (|i − j| <5) | 395 | 444 |
Long range (|i − j| ≥5) | 281 | 320 |
NOE constraints per restrained residueb | 15.9 | 16.8 |
Hydrogen bond constraints | 66 | 60 |
Long range (|i − j| ≥5) | 0 | 0 |
Dihedral angle constraints | 140 | 140 |
Total no. of restricting constraints | 1715 | 1792 |
Restricting constraints per restrained residueb | 18.1 | 18.9 |
Long range (|i − j| ≥5) | 3.0 | 3.4 |
Total structures computed | 100 | 100 |
No. of structures included | 20 | 20 |
Distance violations per structure | ||
0.1–0.2 Å | 9.0 | 6.4 |
0.2–0.5 Å | 2.0 | 1.25 |
>0.5 Å | 0 | 0 |
RMS of distance violation/constraint (Å) | 0.02 | 0.02 |
Maximum distance violation (Å) | 0.47 | 0.46 |
Dihedral angle violations per structure | ||
1–10° | 4.1 | 2.55 |
>10° | 0 | 0 |
RMS of dihedral angle violation per constraint (°) | 0.52 | 0.33 |
Maximum dihedral angle violation (°) | 7.1 | 4.6 |
RMSDc | ||
Backbone | 0.7 (1.8) | 0.5 (1.5) |
Heavy atoms | 1.2 (2.2) | 1.0 (1.9) |
Ramachandrand | ||
Most favored (%) | 93.6 | 94.9 |
Additionally allowed (%) | 6.4 | 5.0 |
Generously allowed (%) | 0 | 0.1 |
Disallowed | 0 | 0 |
a Total assignment completeness, with backbone completeness reported in parentheses.
b Residues 3–97 contain conformational restraining constraints.
c Residues 10–97 reported, with all-residue RMSDs reported in parentheses.
d Residues 10–97, calculated with Procheck.