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. Author manuscript; available in PMC: 2011 Jul 1.
Published in final edited form as: Proteins. 2010 Jul;78(9):2007ā€“2028. doi: 10.1002/prot.22715

Figure 3.

Figure 3

Quantification of rotation invariance of the descriptors. The AMP binding pocket of 12AS is rotated around the axis xāƒ— + yāƒ— + zāƒ— of an arbitrary coordinate set from the pocket geometric center. The angle of rotation is shown on the x axis and the y axis shows the rotation error as compared with the pocket at the original orientation. The rotation error is defined as the L2 distance of a rotated binding pocket divided by the average distance to the other pockets in the benchmark dataset.