Table 4.

Main chain only model accuracy as a function of errors in the origins of the Cα restraints

	RMSD [Å]
			Ensemble averaged		Mean modeld
Noisea	Expectedb	Restraintc	Cα	Main chain	Cα	Main chain
1 Å Cα restraint threshold
0.0	—	—	0.68 (0.02)	0.80 (0.03)	0.32 (0.02)	0.44 (0.04)
0.5	0.29	0.29	0.68 (0.01)	0.80 (0.03)	0.31 (0.02)	0.43 (0.03)
1.0	0.58	0.58	0.68 (0.02)	0.80 (0.03)	0.30 (0.02)	0.42 (0.03)
1.5	0.87	0.86	0.69 (0.02)	0.81 (0.03)	0.28 (0.02)	0.41 (0.03)
2 Å Cα restraint threshold
0.0	—	—	1.31 (0.04)	1.38 (0.03)	0.59 (0.03)	0.68 (0.05)
1.0	0.58	0.58	1.30 (0.04)	1.37 (0.04)	0.57 (0.02)	0.67 (0.04)
2.0	1.16	1.15	1.27 (0.03)	1.34 (0.04)	0.54 (0.03)	0.64 (0.05)
3.0	1.73	1.72	1.28 (0.04)	1.34 (0.04)	0.51 (0.03)	0.61 (0.05)
4.0	2.31	2.26	1.37 (0.04)	1.43 (0.04)	0.51 (0.03)	0.61 (0.04)

^a Width, in Ångstroms, of a uniform distribution used to sample the lengths of randomly oriented vectors added to the Cα restraints.

^b RMSD [Å] expected between the Cα atoms of the crystal structure and the Cα restraints for the given noise magnitude.

^c RMSD [Å] between the Cα atoms of the crystal structure and the Cα restraints enforced during model generation.

^d Mean model was not regularized because tinker requires all-atom models for energy minimization.