Table 1. Experimental restraints and structural statistics for ten lowest-energy NMR structures of apo-meACP out of 100 structures.
NMR distance constraints | |
Intra-residue | 628 |
Sequential | 324 |
Medium-range (1<|I-j|<5) | 702 |
Long-range (|I-j|≥5) | 654 |
Total | 2308 |
NMR dihedral restraints | |
Φ | 62 |
Ψ | 63 |
Total | 125 |
Structural statistics | |
Violations per structure (residues Gly937-Arg1013) | |
NOE violation (Å) | 0.41±0.04 |
Angle violation (°) | 3.74±0.39 |
TALOS >5.0° | 0 |
Max. dihedral angle violation (°) | 4.18 |
Max. distance constraint violation (Å) | 0.47 |
Ramachandran plot region (all residues) [%] | |
most favoured | 76.3 |
additionally allowed | 19.4 |
generously allowed | 3.2 |
disallowed | 1.1 |
Mean RMS deviation from the average coordinates (residues Gly937-Arg1013) (Å) | |
Backbone atoms (Cα, C’, N, O) | 0.44±0.12 |
All heavy atoms | 1.10±0.11 |