Table · dataset · 2026
<p>Structural alignment metrics (pTM, ipTM, and RMSD) for predicted CPPF–tubulin complexes. Protenix-generated poses (pose 0–4) for CPPF in complex with /-tubulin dimer, -tubulin monomer, and -tubulin monomer were structurally aligned to their respective reference structures from the Protein Data Bank (PDB ID: 5IJ0 for the /-tubulin dimer; TUBA1B for -tubulin; TUBB3 for -tubulin). The predicted TM-score (pTM; a predicted template-modeling score reflecting global fold confidence) and inter-chain predicted TM-score (ipTM; reflecting interface confidence for multimeric complexes) were extracted from the output of AlphaFold-compatible models. Backbone root-mean-square deviation (RMSD, in Å) was computed between predicted and reference protein structures using PyMOL. Mean, minimum, and maximum values are summarized for each structural context to assess the convergence and reliability of predicted binding poses.</p>
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<p>Structural alignment metrics (pTM, ipTM, and RMSD) for predicted CPPF–tubulin complexes.
Description
Protenix-generated poses (pose 0–4) for CPPF in complex with /-tubulin dimer, -tubulin monomer, and -tubulin monomer were structurally aligned to their respective reference structures from the Protein Data Bank (PDB ID: 5IJ0 for the /-tubulin dimer; TUBA1B for -tubulin; TUBB3 for -tubulin). The predicted TM-score (pTM; a predicted template-modeling score reflecting global fold confidence) and inter-chain predicted TM-score (ipTM; reflecting interface confidence for multimeric complexes) were extracted from the output of AlphaFold-compatible models.
Backbone root-mean-square deviation (RMSD, in Å) was computed between predicted and reference protein structures using PyMOL. Mean, minimum, and maximum values are summarized for each structural context to assess the convergence and reliability of predicted binding poses.</p>
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- DOI doi.org/10.1371/journal.pcbi.1014804.t001 ↗
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