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@@ -360,6 +360,11 @@ WARNING - The distribution of shuffled energy scores for sequence 5AWL.fasta is
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</table>
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</div>
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<p align="center">
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<i>
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Table 4: Summary of z-scores for alignments between different structures in example 1.
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</p>
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> ⚠️ **Warning:** The z-scores may not be interpretable as the shuffled energy scores are not normally distributed. This is merely an example. To perform a meaningful significance evaluation, increase the number of shuffles.
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@@ -400,9 +405,16 @@ python src/test_gaps.py [--program_path PROGRAM_PATH] [--output_dir OUTPUT_DIR]
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#### Input
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> `src/config.py` :
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> ```python
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> # Directory paths
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> TEMPLATES_DIR = 'data/example1/structures/'
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> SEQUENCES_DIR = 'data/example1/sequences/'
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> # Gap scores to test
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> gap_scores = [0, 0.1, 0.2, 0.3, 0.5, 1, 2, 5]
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>
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> # Proteins with similar structures
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> homolog_pairs = {
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> '5AWL.fasta': ['1l2y.pdb', '1vii.pdb', '1crn.pdb'],
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> '1VII.fasta': ['1l2y.pdb', '1crn.pdb'],
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> '1L2Y.fasta': ['1vii.pdb', '1crn.pdb'],
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> '1CRN.fasta': ['1l2y.pdb','1vii.pdb', '1crn.pdb', '1le0.pdb', '1le1.pdb']
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> }
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> ```
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```python
@@ -411,6 +423,71 @@ python src/test_gaps.py --output_dir results/gaps_test --result_file results/per
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#### Result
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<div style="text-align:center;">
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<table align="center">
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<tr>
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<th><p align="center"><br>Gap Score</br></p></th>
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<th><p align="center"><br>Performance</br></p></th>
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<th><p align="center"><br>Correctly Guessed</br></p></th>
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<th><p align="center"><br>Similar Structure</br></p></th>
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</tr>
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<tr>
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<td><p align="center">0.0</p></td>
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<td><p align="center">0.5</p></td>
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<td><p align="center">1</p></td>
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<td><p align="center">4</p></td>
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</tr>
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<tr>
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<td><p align="center">0.1</p></td>
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<td><p align="center">0.58</p></td>
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<td><p align="center">2</p></td>
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<td><p align="center">3</p></td>
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</tr>
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<tr>
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<td><p align="center">0.2</p></td>
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<td><p align="center">0.92</p></td>
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<td><p align="center">4</p></td>
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<td><p align="center">3</p></td>
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</tr>
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<tr>
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<td><p align="center">0.3</p></td>
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<td><p align="center">0.92</p></td>
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<td><p align="center">4</p></td>
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<td><p align="center">3</p></td>
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</tr>
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<tr>
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<td><p align="center">0.5</p></td>
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<td><p align="center">0.83</p></td>
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<td><p align="center">4</p></td>
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<td><p align="center">2</p></td>
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</tr>
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<tr>
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<td><p align="center">1.0</p></td>
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<td><p align="center">0.75</p></td>
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<td><p align="center">4</p></td>
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<td><p align="center">1</p></td>
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</tr>
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<td><p align="center">2.0</p></td>
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<td><p align="center">0.75</p></td>
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<td><p align="center">4</p></td>
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<td><p align="center">1</p></td>
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</tr>
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<tr>
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<td><p align="center">5.0</p></td>
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<td><p align="center">0.75</p></td>
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<td><p align="center">4</p></td>
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<td><p align="center">1</p></td>
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</tr>
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</table>
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</div>
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<p align="center">
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<i>
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Table 5: Summary of algorithm performance based on gap penalty.
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</i>
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</p>
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## 🔗References
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JONES, D. Threader: protein sequence threading by double dynamic programming. *Computational Methods in Molecular Biology.* Elsevier, 1996. v. 32, cap. 13, p. 312–338

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