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Computational Workflow - Coggle Diagram
Computational Workflow
Mutation Dataset
Benign Mutations
Pathogenic Mutations
Mutation Selection
Select Mutation
Retrieve Mutation Information
Protein Identification
Extract Protein ID (UniProt)
Retrieve Protein Information
Wild-Type Structure
Download Colab Fold Structure
Extract Required Chain
Save Wild-Type Structure
Mutation Modelling
Generate Mutant Sequence
Introduce Amino Acid Substitution
Predict Mutant Structure
ColabFold
Structure Preparation
Wild-Type Structure
Mutant Structure
Structural Alignment
Foldseek
TM-score
RMSD
MMalign
TM-score
RMSD
Feature Extraction
Structural Similarity
TM-score
RMSD
Local Structural Features
Neighbor Residues
Residue Displacement
LSPS
Prediction Confidence
pLDDT
pTM
Ranking Confidence
Data Integration
Merge All Features
Generate Final Dataset
Statistical Analysis
Family Size
High FS
Low FS
Mutation Type
Benign
Pathogenic
Statistical Tests
Wilcoxon Signed-Rank Test
Comparative Analysis
Foldseek vs MMalign
High FS vs Low FS
Benign vs Pathogenic
Interface Mutations
Surface Mutations
Core Mutations
Results
TM-score Analysis
RMSD Analysis
Interface Analysis
Surface Analysis
Core Analysis
Summary of Findings
Biological Interpretation
Protein Robustness
Structural Perturbation
Disease vs Neutral Mutation Comparison