Table 1.

Structural Statistics for the Ensemble of 15 Calculated Structures of 2B4

NOE restraints (total)	1891
intra (|i - j| = 0)	722
medium (1 ≤ |i - j| ≤ 4)	506
long (|i - j| > 4)	663
dihedral angle restraints (ϕ and ψ)	128
hydrogen bond restraints in β-sheet regions	170
rmsd from ideal geometry
bond length (Å)	0.0074 ± 0.0004
bond angles (o)	2.25 ± 0.02
Ramachandran plot
most favored region (%)	70
allowed regions (%)	27
disallowed regions (%)	3
rmsd of atom position from average structure
β-sheet regions (main chain atoms) (Å)	0.4 ± 0.05
β-sheet regions (non-hydrogen atoms) (Å)	1.1 ± 0.08