Table I.
TZF12 | TZF34 | |
---|---|---|
NMR distance and dihedral angle restraints | ||
Distance restraints | ||
Total NOE | 1244 | 1339 |
Intraresidue | 337 | 406 |
Interresidue | ||
Sequential (|i − j| = 1) | 279 | 316 |
Medium range (1 < |i − j| < 5) | 238 | 229 |
Long range (|i − j| ≥ 5) | 390 | 388 |
Zinc-related restraints (upper limit, lower limit) | 26/26 | 26/26 |
φ/ψ dihedral angle restraints (TALOS) | 60/48 | 42/39 |
χ1/χ2 dihedral angle restraints | 19/8 | 4/4 |
CYANA target function (Å2) | 0.026 | 0.13 |
Structure statistics | ||
Maximal NOE distance restraint violation (Å) | 0.03 | 0.13 |
Maximal dihedral angle restraint violation (Å) | 1.2 | 5.0 |
Ramachandran plot statistics (%)a | ||
Residues in most favored regions | 73.8 | 76.7 |
Residues in additional allowed regions | 25.5 | 22.6 |
Residues in generously allowed regions | 0.7 | 0.7 |
Residues in disallowed regions | 0.1 | 0.0 |
Average pairwise rmsd (Å)b | ||
Backbone | 0.35 | 0.37 |
Heavy | 0.99 | 0.96 |
Values calculated for residues 11–82 of TZF12 and 173–248 for TZF34.
Values calculated for residues 15–40 and 49–71 of TZF12 and residues 178–202 and 214–237 of TZF34.