Reading predicted and experimental protein structures
A molecular structure may come from an experiment or a computational prediction; its provenance and confidence determine what can reasonably be inferred.
01
Identify the source
Experimental method, resolution, construct and deposited model matter. Predicted structures require model-specific confidence measures.
02
Inspect confidence locally
A globally plausible fold can contain uncertain loops or interfaces. Interpret residues and contacts alongside local confidence.
03
A pocket is a hypothesis
Geometry alone does not establish ligand binding, affinity or functional relevance. Use biochemical and experimental evidence.
