Table 2. Structural Statistics for JAZ ZF3a.
NMR Constraints | |
total unambiguous distance restraints | 209 |
intraresidue (i, i) | 54 |
sequential (i, i + 1) | 74 |
medium range (2≤ |i – j| ≤4) | 33 |
long range (|i – j| > 4) | 48 |
total dihedral angle restraints | 77 |
Φ | 38 |
Ψ | 39 |
χ1 | 0 |
Ensemble Statistics | |
Violation Analysis | |
maximum distance violation (angstroms) | 0.19 |
maximum dihedral angle violation (degrees) | 0 |
Energies | |
mean restraint violation energy (kcal mol–1) | 2.5 |
mean AMBER energy (kcal mol–1) | –1880.4 |
Deviation from Idealized Geometry | |
bond lengths (angstroms) | 0.01 |
bond angles (degrees) | 2.5 |
rmsd from mean structure | 0.43 |
rmsd for all heavy atoms | 1.04 |
Ramachandran Plot | |
most favorable regions (%) | 89.6 |
additionally allowed regions (%) | 10.4 |
generously allowed regions (%) | 0 |
disallowed regions (%) | 0 |
rmsd values and Ramachandran statistics are given for structured regions (residues 181 to 222) only.