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. 2014 May 15;2014:731325. doi: 10.1155/2014/731325

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Copyright © 2014 Michael Kenn et al.

This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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This 3D representation shows the LC13 TCR in complex with ABCD3 peptide and either HLA-B*44:02 (panels (a), (c)) or HLA-B*44:03 (panels (b), (d)). Number of clusters has been preset to five (upper panels) and six (lower panels). Clusters are rainbow-colored according to decreasing size (number of atoms in the cluster): violet (largest cluster), blue, green (relevant only for 6 clusters), yellow, orange, and red (the smallest cluster). The optimal clustering solution suggests that in these cases the most rigid clusters are the largest or the second largest ones (see also Figure 7). For panel (a) the most rigid cluster is blue and for panel (c) it is violet. For panel (b) the most rigid cluster is violet and for panel (d) it is blue. The most rigid cluster is therefore dependent on the prespecified number of clusters N _clust.