Table 2. Geometric and energetic statistics for NMR structures of cycloviolacin O14.

The values are given as means±S.D. for the ensemble of the 20 final solution structures. Cdih, constrained dihedral angle.

Energies (kcal/mol)
Overall	−1003.17±26.97
Bonds	6.21±0.87
Angles	32.98±7.46
Improper	5.13±1.38
van der Waals	−77.01±8.29
NOE	7.26±3.15
Cdih	0.53±0.25
Dihedral	120.35±8.29
Electrostatic	−1098.00±25.43
rmsd
Bond (Å)	0.00377±0.00026
Angle (deg)	0.521±0.057
Improper (deg)	0.387±0.050
NOE (Å)	0.0213±0.0046
Cdih (deg)	0.713±0.184
Pairwise rmsd (Å)
Mean global backbone (1–9, 15–31)	0.55±0.14
Mean global heavy (1–9, 15–31)	1.34±0.31
Experimental data
Distance restraints	299
Dihedral restraints	18
NOE violations >0.2 Å	0
Dihedral violations >2.0°	0
Ramachandran statistics for residues 1–9 and 15–31
Most favoured (%)	81.3
Additionally allowed (%)	18.7
Generously allowed (%)	0
Disallowed (%)	0