Table 2. Structural statistics for a family of 14 calculated structures of the Cy-AA-EK complex of [Co^III(coproporphyinate -I)]^3-.

Experimental restraints
Intraresidue (|i—j| = 0)	64
Short to medium (1 ≤ |i—j| ≤ 5 residues)	131
Long range (|i—j| > 5 residues)	8
Hydrogen bonds	22
ϕ-angles	30
Total	255
Deviations from experimental restraints
Distance restraints	0.07
Dihedral angle	2.7
Deviations from ideal geometry
Bonds, Å	0.02
Angles, °	1.87
Impropers	0.96
rms deviations from the mean structure, Å
Backbone atoms (residues 1—34: N, Cα, C)	0.6
Backbone atoms (residues 19—31: N, Cα, C)	0.4
All nonhydrogen atoms (residues 1—34)	0.93

Of the 50 structures, 40 converged to acceptable structures. Of these, 14 structures were deemed exceptionally good (i.e., displayed no violations>0.5 Å or 5°). Distances were constrained in a square well potential by using force constants for bonds set to 25 kcal/(mol·rad²) and for angles set to 100 kcal/(mol·rad²). The structures were checked by using the NMRREFINE/PROSTAT module in the INSIGHT/DISCOVER package.