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Figure 6

Variation of the backbone dihedral angles and side-chain torsion angles in the bundles of 20 energy-refined conformers representing the NMR structure and the reference structures (Fig. 3[link]) of TM1112 and comparisons with CrystA. The spread of the values for the backbone dihedral angles φ and ψ among the 20 conformers representing the NMR structure (a), the reference NMR structure (b) and the reference crystal structure A (c) (Fig. 3[link]) is represented by blue vertical bars; the red dots indicate the deviations of the crystal structure values from the corresponding mean values for the bundles of 20 conformers, which are at 0°. (d)–(f) The same presentation as in (a) to (c) for the side-chain torsion angles χ1 and χ2 in the NMR structure (d), the reference NMR structure (e) and the reference crystal structure A (f). The locations of the regular secondary structures are indicated and asterisks identify the residues with solvent accessibility below 15% in the NMR structure.


Journal logo STRUCTURAL BIOLOGY

COMMUNICATIONS
ISSN: 2053-230X
Volume 66| Part 10| August 2010| Pages 1381-1392

doi:10.1107/S1744309110020956
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