Hi everybody!

I’d like to build a pipeline pilot protocol that computes overall as well as binding site (e.g. denoted as sequence parts x Angstrom off a given ligand) sequence identity for different proteins each of different species. The desired result is a heatmap matrix displaying the sequence identity of the binding site in one half of the map and the sequence identity of the overall sequence of the other, both halfs separated by the diagonal:

                                                                        Protein1                                                                                  Protein2                                  

                                                Species1          Species2          Species3                                  Species1          Species2            Species3

                       Species1          (1)                   [id_bindingsite] [id_bindingsite]

Protein1         Species2          [id_overall]       (1)                    [id_bindingsite]

                       Species3          [id_overall]       [id_overall]        (1)

                       Species1

Protein2         Species2

                       Species3

Looking forward to any tips and help!

Kind regards,

Bonina