Multiple residues with same number

For a project I’m doing I want to make a complex of LDLR and ApoE4. In order to get ApoE4 I mutated ApoE3 because there is no Apo4 structure. The only change that had to be made was to mutate Cys112 to Arg112.

I made a complex of ApoE3 and LDLR. And I wanted to make a complex of ApoE4 and LDLR as well. However when I try to do that I get the following error:

First pdb file contains multiple residues with number 299 in chain A

Even though there is only one residue with number 299 (which is also my last residue). I tried using only 1 NMR structure instead of all 20 but it still gives the same error. Except for the mutation on residue 112 there are no differences between ApoE3 and ApoE4 so I don’t know why it works for ApoE3 but not for ApoE4.

How could I solve this problem?

Thank you.


I just looked at your input file and it seems that the last atom has been duplicated, causing the error in HADDOCK. Try removing that last ATOM line and resubmit it on HADDOCK.

I hope this will help,