Table 2 Structural statistics for Mip^77–213-rapamycin-complex

Number of restraints

unambiguous intramolecular distance restraints (Mip^77–213)

1692

ambiguous intramolecular distance restraints (Mip^77–213)

2509

   intermolecular distance restraints

179

   total distance restraints

4380

   dihedral angle restraints

230

rmsd from idealized covalent geometry

   bonds (in nm)

(0.7 ± 0.0) 10^-3

   angles (in deg)

0.9 ± 0.0

   impropers (in deg)

1.0 ± 0.1

rmsd from experimental restraints

   intramolecular distances (in nm)

(5.6 ± 0.2) 10^-3

   intermolecular distances (in nm)

(21.5 ± 1.8) 10^-3

   dihedral angles (in deg)

2.0 ± 0.0

rmsd values from the minimized average structure

in nm

   backbone atoms

0.036 ± 0.009

   all heavy atoms

0.081 ± 0.007

Ramachandran analysis (Mip^77–213)

in %

   most favored regions

90.5 ± 1.0

   additionally allowed regions

8.0 ± 1.0

   generously allowed regions

1.3 ± 0.6

   disallowed regions

0.2 ± 0.4