Table I.

Statistics for the 20 MZF1 (37-128) conformers

Experimental constraints (total used for each monomer)
Distance constraintsa
Long		370
Long (intermolecular) b		433
Medium [1<(i-j)≤5]		512
Sequential [(i-j)=1]		408
Intraresidue [i=j]		412
Total		2135
Dihedral angle constraints (φ and Ψ)		132
Average atomic R.M.S.D. to the mean structure (Å)
Dimer (residues 40-122)
Backbone ( Cα, C′, N)		0.62 ± 0.16
Heavy atoms		0.95 ± 0.11
Monomer I (residues 40-122)
Backbone ( Cα, C′, N)		0.55 ± 0.13
Heavy atoms		0.92 ± 0.09
Monomer II (residues 40-122)
Backbone ( Cα, C′, N)		0.56 ± 0.16
Heavy atoms		0.92 ± 0.12
Deviations from idealized covalent geometry
Bond lengths	RMSD (Å)	0.014
Torsion angle violations	RMSD (°)	1.2
WHATCHECK quality indicators
Z-score		-1.13 ± 0.16
RMS Z-score
Bond lengths		0.67 ± 0.02
Bond angles		0.71 ± 0.02
Bumps		0 ± 0
Constraint violations
NOE distance	Number > 0.5 Å	0 ± 0
NOE distance	RMSD (Å)	0.019 ± 0.001
Torsion angle violations	Number > 5 °	0 ± 0
Torsion angle violations	RMSD (°)	0.464 ± 0.072
Ramachandran statistics (% of all residues)
Most favored		93.5± 1.5
Additionally allowed		6.1 ± 1.5
Generously allowed		0.4 ± 0.4
Disallowed		0.2 ± 0.4

^aAll distance constraints are intramolecular unless otherwise noted.

^bA total of 136 of the long range intermolecular distance constraints were derived from the 3D F1-¹³C-filtered, F3-13C-edited NOESY spectrum. The remaining intermolecular distance constraints were derived from the ¹⁵N-edited and ¹³C-edited NOESY spectra.