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updated docs: Interpreting PoET Results Table
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source/web-app/poet/results-table.rst

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@@ -8,9 +8,9 @@ This tutorial explains how to interpret the results generated by the PoET Genera
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Results Table
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^^^^^^^^^^^^^^
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Your results are presented in a table, with each generated sequence assigned a log-likelihood score. This score reflects how well the generated sequence fits the prompt: a higher score indicates a better fit.
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Your results are presented in a table, with each generated sequence assigned a log-likelihood score and other metrics, such as Identity, pLDDT, RMSD, TM Score, depending on the selected Alignment Method. You can customize the displayed columns using the right-click menu from the table header.
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Right-click any sequence to access local fitness landscapes through the **Run Substitution Analysis** menu. You can also sort your results and export them using the **Export** button.
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Right-click any sequence to access local fitness landscapes through the **Run Substitution Analysis** menu. You can also sort, filter your results and save them to file using the **Export** button.
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.. image:: ../../_static/tools/poet/results-table.png
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:alt: Results Table
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Once the structure prediction job completes, the structure viewer will appear on the right side of the page. The prediction model can be changed via the **Structure Predictor** dropdown located above the viewer. Hover over a sequence in the results table to preview and compare its structure against the query structure. The viewer also displays key metrics, including:
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- **pLDDT (predicted Local Distance Difference Test)**: A per-residue confidence score (commonly scaled from 0-100 or 0.0-1.0) indicating how reliable each residue's predicted position is.
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- **Log-likelihood score**: Reflects how well the generated sequence fits the prompt. A higher score indicates a better fit.
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- **Identity**: The percentage of matching amino acids between the generated sequence and the reference across the aligned region.
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- **pLDDT (predicted Local Distance Difference Test)**: A per-residue confidence score (commonly scaled from 0-100) indicating how reliable each residue's predicted position is.
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- **RMSD (Root Mean Square Deviation)**: A measure of structural similarity between two molecules, typically comparing backbone atoms. Lower RMSD values indicate greater structural similarity.
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- **TM Score (Template Modeling score)**: A measure of the similarity between two protein structures. Higher means more similar.
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Click a sequence to expand the structure viewer, which will overlay the results table. In this view, you can examine detailed metrics and sequence-to-prompt alignment for the selected sequence.
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.. image:: ../../_static/tools/poet/results-table-expanded.png
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:alt: Sequence structure viewer
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Change Alignment Method
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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The alignment method used for structural comparisons can be changed via the **Alignment Method** toggle buttons located above the results table. Available methods may include:
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- **Structure**: Structures are superimposed with TM-Align algorithm, and this superposition is used to compute structure similarity metrics, such as RMSD and TM Score.
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- **Sequence**: Sequences are aligned with Needleman-Wunsch algorithm, and then structures are superimposed via Kabsch algorithm using the sequence alignment. This superposition is then used to compute structure similarity metrics.
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- **Off**: Sequences are aligned with Needleman-Wunsch algorithm if they are same length as the prompt; otherwise, no alignment is performed, some metrics such as Identity, RMSD and TM Score are not available.
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Change Reference Structure
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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