TABLE 1.
NMR data and refinement statistics for HSPB1-ACD solution structure
| NMR distance and dihedral constraints | HSPB1-ACD |
|---|---|
| Distance constraints | |
| Total NOE | 2021 |
| Intraresidue | 228 |
| Inter-residue | |
| sequential (|i-j| = 1) | 635 |
| Medium-range (|i-j| < 4) | 279 |
| Long-range (|i-j| > 5) | 879 |
| Inter-molecular | 266 |
| Total dihedral angle restraints | 230 |
| φ (TALOS) | 115 |
| ψ (TALOS) | 115 |
| Residual Dipolar Couplings (RDCs) | |
| 1H-15N RDCs | 59 |
| Structure statistics | |
| Violations (mean ± s.d.) | |
| Distance constraints (Å) | 0.16±0.21 |
| Dihedral angle constraints (°) | 1.07 ± 1.29 |
| Average pairwise r.m.s deviation (Å)a | |
| Heavy | 1.63 ± 0.56 |
| Backbone | 0.79 ± 0.37 |
a
Average pairwise r.m.s.d. was calculated among ten refined structures.