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Figure 1
Illustration of the GTO shape representation and superposition of a pair of globular proteins, the superantigens SpeA and SEC3. (A) From top left to bottom right: the steric density functions of SpeA and SEC3 shown at expansion orders N = 6, 12, 16, 20, 25 and 30. Each pair is in the same superposed orientation, separated horizontally for clarity, with SpeA on the left and SEC3 on the right. For visualization, each surface shape was contoured from the three-dimensional density function as described previously (Ritchie, 2003BB37). Expansions to N = 32 are visually almost indistinguishable from the N = 30 expansions, and are not shown here. (B) The corresponding backbone traces of the superposition with SpeA in yellow and SEC3 in cyan (top), the separated backbones with SpeA on the left and SEC3 on the right (centre), and the original molecular surfaces from which the GTO density representations were derived (bottom).

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CRYSTALLOGRAPHY
ISSN: 1600-5767
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