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![[Figure 2]](nz5011fig2mag.jpg)
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Figure 2
Iterative AlphaFold prediction and model rebuilding with X-ray data for PDB entry 7oa7. (a) Superposition of the AlphaFold prediction without templates (magenta) and the deposited model (cyan). The region comprising Ile166 and Val193 and the domain on the right are similar in the deposited and predicted models, while the region of Tyr21 and Pro141 and the domain shown on the left differ between the deposited and predicted models. (b, c) Close-up views of the AlphaFold prediction without templates superimposed on the density map obtained after molecular replacement and refinement. The good region containing Ile166 and Val193 is shown in (b) and the poor region containing Tyr21 and Pro141 is shown in (c). (d) Superposition of the deposited model and the model obtained by molecular replacement and automated model rebuilding using the AlphaFold prediction shown in (a) (dark blue). (e, f) Close-up of the model in (d) and the density-modified map obtained from the first cycle of automated model rebuilding. (g) Superposition of the deposited model and the superposed AlphaFold prediction obtained using the model in (b) as a template. (h, i) Close-up of the predicted model in (g) and the density-modified map obtained in the second iteration of model rebuilding. |
![[Figure 2]](nz5011fig2.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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