Difference in number of residues and PAE vector.

[mapo9]

Hi,

I wanted to look at the individual PAE values for residues and found that the residue count is usually 5 to 15 smaller than the shape of the PAE matrix.
I recognized that oftentimes the last (len(pae_row) - num_residues) values in the pae rows are very similar.

Is there any way to map the residues to their PAE values?

Thanks!

[phbradley]

Hi there, great question! You can ignore the extra residues at the end. They get added to prevent recompiling the model when folding systems of multiple sizes. So the mapping should be 1:1, 2:2, ..., nres:nres where nres is the number of actual residues in the system.

[mapo9]

Awesome,thank you for the quick reply!