1. Describe purpose and objective of the modelling exercise
The purpose and goal of the modelling experiment should be provided as it affects the choice of the approach as well as what types of biological predictions can be made. Model quality and accuracy depends on the available data and modelling process. For example, detailed intra- or intermolecular contacts can only be investigated with homology modelling. On the other hand, fold recognition methods may be sufficient for detecting secondary structural elements and their organization.
Example: The structure of the Bruton tyrosine kinase (BTK) pleckstrin homology (PH) domain was modelled to facilitate structure-based interpretation of disease-causing variants in X-linked agammaglobulinemia (XLA).