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Figure 3
Iterative AlphaFold prediction and model rebuilding with X-ray data. (a) Free R values for the rebuilt model after the first (open bars) or last (closed bars) iteration of prediction and rebuilding (using the cycle with the lowest free R value as the last iteration). (b) R.m.s. differences between the first chain in each deposited model and the corresponding initial AlphaFold predictions (carried out without templates at the beginning of the first cycle; abscissa) and final AlphaFold predictions (carried out with templates in the last cycle; ordinate). One PDB entry (7dz9) is not shown as no rebuilt model was obtained for the first chain in the PDB entry so that the AlphaFold models in each cycle were the same. The inset includes nine cases that are not shown in the main panel where the initial r.m.s.d. was greater than 3 Å.

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ISSN: 2059-7983
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