Gua-Ala distribution

Hydrogen bonds

Number of Gua sidechains in dataset 32250 ( 3.8% )

Number of Ala sidechains in dataset 54868 ( 6.4% )

Total number of Gua-Ala contacts 354

3D distribution.
Histograms:

Separation distance, r.
Theta distribution.

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Phi distribution.

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Inter-planar angle (IPA).

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* Non-random at 95.0% confidence level.
** Non-random at 97.5% confidence level.
*** Non-random at 99.0% confidence level.
**** Non-random at 99.5% confidence level.

Packing geometries

The significance of any clustering in the contacts is assessed with reference to packing-geometries generated at random from 77 trials of 354 randomly-chosen and randomly placed contacts.

Random packing geometry:

View cluster(s) in RasMol

Display mode: Rasmol script, or standard RasMol.
Show: All sidechains, cluster representative only, or both.

Colour sidechains by: cluster, or atom colour.

The clusters

The pairs of plots below show a representative sidechain for each cluster.

In the first plot of each pair the sidechains are shown as ball-and-stick models; in the second plot the van der Waals surfaces are superimposed as wire-cage contours. The reference sidechain is shown in purple while the cluster representative is shown in orange. Click on the first plot to get a magnified view, including the other cluster members.

Each cluster representative is chosen to have a r.m.s.d. of <1.5 Angstroms from all other members of the cluster. The standard deviation shows how significant the clustering is, when compared with a randomly-generated contact distribution for these two sidechains.

The ticks on the back walls in the plots correspond to distances of 1 Angstrom.