I'm working with a protein that has two functions: 1) an annotated function confirmed by AA sequence and a crystal structure, etc.; and, 2) a putative moonlighting function that is completely different from the annotated function.
When I use iTasser, obviously all of the best hits are related to the annotated function based on the previously solved CS.
Is there a method to make iTasser omit all structures related to the annotated function so it allows me to explore candidate models for the moonlighting function?
Just as an example, imagine my annotated function is "DNA ligase" and I'm trying to explore the possibility that this protein can also behave as a "transpeptidase" under certain circumstances. Can I set the parameters so none of the hits have anything to do w/ DNA ligase? Can I also add a keyword such as "transpeptidase" for the hits?
thanks