NMR Structures Demo from March 31, 1998

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Whole peptide.
Backbone, only.

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Distances:
Protein
(end-to-end)

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NMR Structure Refinement of a 29-Residue Peptide.

Each of these buttons displays structures that are similar to the corresponding RasMol scripts (names in parentheses).
The first image shows structures built with just hn-hn distances (NOEs). The calculated (backbone) structures are red and green. The blue chain corresponds to the crystal structure (nhnh.spt).
Same as above, with the addition of local hn-ha distances (NOEs). (nhha.spt).
Same as above, with the addition of long range NOEs that could be assigned without the structure. (long.spt).
Same as above, with the addition of NOEs identified using structures. (refine.spt).
Superimposed image of the five lowest energy, refined structures. Backbone display; each chain colored differently. (main1.spt).
Superimposed image of the five lowest energy, refined structures. Backbones are displayed as sticks. Sidechains are displayed as wireframe. The residue coloring is "Shapely". (main2.spt).
Highlight the sidechain of Phe17 (green). (phe.spt).
Highlight the sidechain of Lys27 (green). (lys.spt).

Viewing tip: Remove hydrogens, if desired, under the Chime Options menu.

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Download the PDB files and scripts required to view these structures in RasMol: The StuffIt compressed file is NMRdemo.sit (162K).
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A description of its use at this site can be found at the Chime Features page.