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. 2015 Oct 23;16:339. doi: 10.1186/s12859-015-0776-9

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© Jin et al. 2015

Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/) applies to the data made available in this article, unless otherwise stated.

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Fig. 8 — Similarity search result for triose phosphate isomerase (TIM) dimer, 1YPI. a Frequency histogram of CBD_3DP between all of the structures in PDB and 1YPI (blue), and all of the TIM dimers and 1YPI (red). b Deviation of bit values of 4FF7, 8TIM and 4GNJ to the reference 1YPI. c Comparison of the structures of reference 1YPI and rank2, rank10 and rank 321 analogs retrieved from similarity search. The positively charged atoms are shown as blue spheres and negatively charged atoms are shown as red spheres for 1YPI and 4GNJ