TABLE 1.
Total restraints | 1761 |
Distance restraints (upper limit) | |
All | 1558 |
NOE intraresidue | 478 |
Short range | 461 |
Medium range | 271 |
Long range | 223 |
Hydrogen bonds | 116 |
Zinc distance restraints | 9 |
Dihedral angle constraints (°) | |
ϕ | 104 |
ψ | 99 |
Mean CYANA target function | 2.13 ± 0.92 |
Ramachandran plot statistics: all residues (selected residuesa) (%) | |
Most favored regions | 74.7 (86.3) |
Additionally allowed regions | 22.1 (13.5) |
Generously allowed regions | 2.2 (0.2) |
Disallowed regions | 1.0 (0.0) |
r.m.s. deviation values (Å)b | |
N-terminal domain | |
Residues 11–72 | 1.53 ± 0.40 |
Helix 1 (residues 11–16) | 0.27 ± 0.15 |
Helix 2 (residues 24–38) | 0.39 ± 0.17 |
Helix 3 (residues 50–68) | 0.52 ± 0.20 |
Linker (residues 76–93) | |
Helix 5 (residues 77–88) | 0.15 ± 0.06 |
C-terminal domain | |
Residues 94–149 | 1.05 ± 0.28 |
Ordered residues (95–98, 103–105, 110–114, 120–124, 127–130, 133–135, and 142–146) | 0.62 ± 0.14 |
a Selected residues were as follows: 12–38, 50–69, 71–74, 77–90, 95–117, 120–137, and 142–146. Ramachandran plot statistics were obtained using PROCHECK. The residues observed in disallowed regions (1%) belonged to loop regions.
b r.m.s. deviations were evaluated using MOLMOL.