. Author manuscript; available in PMC: 2009 Mar 14.

Published in final edited form as: J Mol Biol. 2007 Dec 23;377(1):162–180. doi: 10.1016/j.jmb.2007.12.029

Table 1.

Statistics of the experimental constraints and the results of structure calculation for UQ1-UBA domain and its complex with monoUb

UQ1-UBA		UQ1-UBA/Ub complex
Constraints
distance restraints	1014	ambiguous intermolecular	19 active
		restraints from CSP mapping	16 passive
dihedral angle restraints	66	unambiguous distance restraints (from NOEs and PREs)	14
hydrogen bonds	40	RDC restraints (secondary structure)	52
RDC restraints	48
RMSD^a (Å)
backbone, secondary struct.	0.28 ± 0.07	at the interface	0.45 ± 0.15
heavy atoms, secondary struct.	0.76 ± 0.07	UBA+Ub backbone all residues	0.72 ± 0.35
backbone, all residues	2.19 ± 1.07	UBA backbone all residues	0.90 ± 0.35
		secondary structure residues	0.32 ± 0.07
heavy atoms, all residues	2.36 ± 0.91	Ub backbone all residues	0.59 ± 0.28
		secondary structure residues	0.46 ± 0.13
PROCHECK^a
most favored regions	82.3 ± 2.81%	most favored regions	89.1 ± 1.8%
allowed regions	13.2 ± 3.84%	allowed regions	8.7 ± 1.6%
generously allowed regions	1.82 ± 2.34%	generously allowed regions	0.8 ± 0.5%
disallowed regions	2.72 ± 1.77%	disallowed regions	1.3 ± 0.5%
G-factor overall	−0.051 ± 0.039	G-factor overall	0.29 ± 0.02

The RMSD and PROCHECK ⁶⁹ analyses were performed for the ensemble of ten final lowest-energy structures.