Table 1.

Structural statistics for the ensemble of 15 calculated structures of AtraPBP1.

NOE restraints (total)	1856
Intra (|i − j| = 0)	650
Medium (1 ≤ |i − j| ≤ 4)	422
Long (|i − j| > 4)	784
Dihedral angle restraints (φ and ψ)	196
Hydrogen bond restraints in α-helical regions	122
RMSD from ideal geometry
Bond length (Å)	0.0081 ± 0.00012
Bond angles (°)	1.98 ± 0.00095
Ramachandran plot
Most favored region	87%
Allowed regions	12%
Disallowed regions	1%
RMSD of atom position from average structure
β-sheet and α-helical regions (main chain atoms)	0.68 ± 0.09 Å
β-sheet and α-helical regions (non-hydrogen atoms)	1.27 ± 0.08 Å