Table 1.

NMR structural statistics for 2.5D and 2.5F 20-conformer ensembles

	2.5D	2.5F
PDB Code	2M7T	6MM4
NMR-derived restraints
Interproton total	462	340
short-range, |i-j|<=1	248	223
medium-range, 1<|i-j|<5	78	48
long-range, |i-j|>=5	136	69
Dihedral angles	32	35
Hydrogen bonds	16	16
Disulfide bonds	18	18
Ramachandran statistics
Residues in
most favored regions (%)	86.3	87.5
additional allowed regions (%)	13.7	11.4
generously allowed regions (%)	0.0	0.5
disallowed regions (%)	0.0	0.7
RMSD statistics (residues 1–33)
Average backbone RMSD to mean (Å)	0.26 +/− 0.06	1.04 +/− 0.28
Average heavy atom RMSD to mean (Å)	0.48 +/− 0.09	1.52 +/− 0.3