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Figure 2
Identification of residues with questionable conformations based on HMM-SA and RMSDfrag. (a) Distribution of RMSDfrag for all residues exhibiting different structural letters (SLs) across X-ray and minimized structure models. The vertical dashed red and blue lines indicate RMSDfrag thresholds of 0.1 and 0.2 Å, respectively. RDC residues correspond to residues exhibiting different structural letters between X-ray and minimized models and an RMSDfrag higher than 0.1 Å. (b) Distribution of PDC values within the Xray826 data set. |
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