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![[Figure 8]](di5049fig8mag.jpg)
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Figure 8
Using ellipsoids to illustrate the variation in the Cα coordinate at position 146. We calculated five ellipsoids for each residue position, corresponding to the observed variation in the Cα positions at a specific residue for the data in the green, red, cyan, purple and yellow clusters. The lengths of the perpendicular axes were determined using the minimum-volume method (which minimizes the volume of the ellipsoid enclosing the data; see https://github.com/nsls-ii-mx/chymotrypsinogen and https://raw.githubusercontent.com/nsls-ii-mx/chymotrypsinogen/master/ellipsoid.py). This method optimizes the fit of each ellipse to the data, including the major axis in the direction of greatest variation. For example, at Cα position 146 (shown here) the green cluster yielded 18 structures with large variation in the [0.2, −0.8, 0.0] direction. The volume of the ellipsoids indicates the overall variation in corresponding Cα positions. For example, at position 146 the green and red clusters yielded structures with much larger positional variation than the cyan, purple and yellow clusters. |
![[Figure 8]](di5049fig8.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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