I am trying to dock two proteins using HADDOCK web server (prediction interface). I have done the changes reres, delocc... but I still having the error message:
First pdb file contains multiple residues with number 1 in chain A
Thank you Zarrin,
But I can't see the problem in my PDB file:
ATOM 1 N ALA A 1 23.743 1.540 -6.219 0.50 32.13 N
ATOM 2 CA ALA A 1 22.788 0.613 -5.612 0.50 30.99 C
ATOM 3 C ALA A 1 21.968 -0.177 -6.652 0.50 29.89 C
ATOM 4 O ALA A 1 21.770 0.298 -7.770 0.50 30.22 O
ATOM 5 CB ALA A 1 21.860 1.383 -4.661 0.50 31.15 C
ATOM 6 N GLU A 1 24.585 3.244 -8.600 0.50 33.72 N
ATOM 7 CA GLU A 1 25.417 2.336 -7.757 0.50 33.93 C
ATOM 8 C GLU A 1 24.559 1.203 -7.209 0.50 33.10 C
ATOM 9 O GLU A 1 24.641 0.061 -7.661 0.50 33.48 O
ATOM 10 CB GLU A 1 26.047 3.105 -6.586 0.50 34.40 C
ATOM 11 CG GLU A 1 26.633 4.465 -6.953 0.50 35.99 C
ATOM 12 CD GLU A 1 27.199 5.213 -5.760 0.50 37.81 C
ATOM 13 OE1 GLU A 1 26.620 5.125 -4.651 0.50 39.00 O
ATOM 14 OE2 GLU A 1 28.229 5.899 -5.938 0.50 38.44 O1-
Dear Nubia,
your pdb file exactly shows the problem. Both residues listed (Ala and Glu) have residue number 1 (it's the number after the chain identifier "A"). Renumber you residues (most modelling programs can do that, but you could do it also manually in the editor) that Ala is 1, Glu is 2 and so forth...
Best wishes
Johann
Hi Johann,
Thank you very much for the help! Finally I can see the problem, and it is quite simple to solve.
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