Table 2.
AUCUUA bound mRBM20 | Unbound mRBM20 | |
---|---|---|
Number of structures | 25 | 25 |
Distance constraints | ||
Total | 3693 | 2838 |
Protein intraresidue | 929 | 823 |
Protein interresidue | ||
Sequential (|i – j| = 1) | 442 | 385 |
Short range (1 < |i – j| < 4) | 199 | 177 |
Medium range (3 < |i – j| < 6) | 79 | 76 |
Long range (|i – j| > 5) | 398 | 336 |
RNA | 104 | – |
Intermolecular | 69 | – |
Ambiguousa | 1445 | 1041 |
Hydrogen bonds | 28 | – |
Total dihedral angle constraints | ||
Protein | 254 | 224 |
RNA | 28 | – |
Residual dipolar couplings | ||
1DHN | 82 | – |
Structure statistics | ||
Violations (mean and SD) | ||
Distance constraints (Å)b | 0.018 ± 0.000 | 0.020 ± 0.001 |
Dihedral angle constraints (°)c | 1.48 ± 0.06 | 1.40 ± 0.07 |
Residual dipolar couplings, Qd | 0.24 ± 0.01 | – |
Deviations from idealized geometry | ||
Bond lengths (Å) | 0.004 ± 0.000 | 0.004 ± 0.000 |
Bond angles (°) | 0.54 ± 0.01 | 0.51 ± 0.02 |
Impropers (°) | 1.41 ± 0.04 | 1.5 ± 0.1 |
Ramachandran plot (%) e | ||
Most favoured | 93.5 (88.4) | 95.6 (82.1) |
Additionally favoured | 6.3 (10.1) | 4.4 (14.5) |
Generally allowed | 0.2 (0.6) | 0.0 (1.8) |
Disallowed | 0.0 (0.8) | 0.0 (1.5) |
Average pairwise rmsd (Å) | ||
Protein backbone 2° structure | 0.25 ± 0.04 | 0.20 ± 0.04 |
Protein heavy 2° structure | 0.56 ± 0.06 | 0.56 ± 0.07 |
Protein backbone all | 1.5 ± 0.2 | 3.2 ± 0.8 |
Protein heavy all | 1.9 ± 0.2 | 3.6 ± 0.8 |
aA standard class of distance restraints in Aria2.3, derived from cases in which the peak volume is contributed by two or more overlapping NOE crosspeaks
bNo violations >0.5 Å.
cNo violations >10°.
dCalculated for each structure in the ensemble using the method described by (73).
eDetermined by using PROCHECK-NMR (74). Main values display hetNOE > 0.5 and include residues 520–617 for the bound form, and 520–598 for the unbound form. Values that include all residues are in parentheses.