Table 1.

Structural statistics for the Rds3p ensemble

Structural restraints
NOE-derived distance restraints
Intraresidue	814*	1,616†
Sequential	477*	814†
Medium (2 ≤ |i − j| ≤ 4)	80*	243†
Long (|i − j| > 4)	269*	668†
Ambiguous	3,780*	1,540†
Total	5,420*	4,881†
Dihedral constraints
Chi1	32
Statistics for accepted structures
Accepted structures	20
Mean CNS energy terms (kcal·mol−1 ± SD)
E total	−3,250.3 ± 99.2
E van der Waals	−290.1 ± 20.3
E distance restraints	83.5 ± 30.5
Restraint violations >0.3 Å (average number per structure)	1.2 ± 0.9‡	1.1 ± 0.9§
RMS deviations from the ideal geometry used within CNS
Bond lengths, Å	0.0041
Bond angles, °	0.63
Improper angles, °	1.70
Ramachandran statistics
Most favored, %	77.60‡	79.50§
Additionally allowed, %	18.90‡	17.80§
Generously allowed, %	2.70‡	2.40§
Disallowed, %	0.80‡	0.30§
Average atomic RMS deviations from the average structure (± SD)
N, Cα, and C, atoms, Å	0.67 ± 0.19‡	0.53 ± 0.12§
All heavy atoms, Å	1.21 ± 0.27‡	1.06 ± 0.15§

*Input.

^†Aria cycle 8.

^‡Residues 10–90.

^§Residues 10–50, 56–90.