Table 1. Summary of Restraints Used for NMR Structure Determination of Mal d 1.0101 and Structure Refinement Statistics.

experimental restraintsa
total no. of NOE-based distance restraints	2079
intraresidue [i = j]	658
sequential [|i–j| = 1]	678
medium range [1 < |i – j| < 5]	307
long-range [|i–j| ≥ 5]	436
dihedral angle restraints	308
hydrogen bond restraints	131
total no. of restraints	2518
total no. of restraints per residue	15.9
long-range restraints per residue	3.2
restraint violationsb
distance violations/structure
0.1–0.2 Å	14.3
0.2–0.5 Å	2.75
>0.5 Å	0
RMS of distance violation/restraint	0.02 Å
max distance violationc	0.50 Å
dihedral angle violations/structure
1–10°	0.2
>10°	0
RMS of dihedral angle violation/constraint	0.06°
max dihedral angle violation	2.60°
RMSD valuesd
backbone atoms	0.4 Å
heavy atoms	1.0 Å
bond lengths	0.010 Å
bond angles	1.4°
Ramachandran plot statistics
most favored regions	92.7%
allowed regions	6.6%
disallowed regions	0.7%

^aNumbers are given for all residues (1–158).

^bCalculated for all residues, using sum over r^{– 6}.

^cLargest violation among all 20 reported structures.

^dGenerated using the PSVS software suite.³¹