 | Acta Crystallographica Section F Acta Crystallographica Section F STRUCTURAL BIOLOGY COMMUNICATIONS |
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![[Figure 3]](lie5002fig3mag.jpg)
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Figure 3
Schematic representation of the de novo design workflow and the final AlphaFold2-predicted structure. (a) A flowchart outlines the sequential use of Rosetta BluePrintBDR, ProteinMPNN and AlphaFold2 to generate candidate sequences featuring a left-handed βαβ motif. (b) The top-scoring AlphaFold2 model is shown in two parts. In the upper ribbon diagram, the protein is color-coded by pLDDT (orange → yellow → light blue → dark blue) to indicate increasing local confidence; the average pLDDT value is 97.0 and the predicted TM-score (pTM) is 0.84, reflecting high overall confidence. Lighter, warmer hues mark lower-confidence regions that may deviate from the in silico model in the crystal structure. In the lower ribbon diagram, the left-handed βαβ motif is highlighted in orange, emphasizing its location and potential structural significance. |
![[Figure 3]](lie5002fig3.jpg)
| STRUCTURAL BIOLOGY COMMUNICATIONS |
ISSN: 2053-230X
