 | Acta Crystallographica Section D Acta Crystallographica Section D BIOLOGICAL CRYSTALLOGRAPHY |
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![[Figure 1]](be5093fig1mag.jpg)
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Figure 1
The planar angles as obtained from a model of crambin refined at 0.83 Å resolution by the full-matrix least-squares method without constraints (the disordered elements were minimally constrained; Stec et al., 1995  ). The N—Cα—C theoretical curve represents the result of ab inito quantum-mechanical optimization as obtained by Van Alsenoy et al. (1998). There is a remarkable agreement between the high-resolution crystal structure and the result of the quantum-mechanical optimization. Below the curves, the excerpt from the PDB sequence viewer is shown to visualize the secondary structure (purple wavy line) and the disulfide bonds (green broken line). A clear correlation between the general behavior of the planar angles and the secondary-structure elements is visible. |
![[Figure 1]](be5093fig1.jpg)
| BIOLOGICAL CRYSTALLOGRAPHY |
ISSN: 1399-0047
