sanjay singh wrote: ... > my alignment looks like this > > >P1;1iax > structureX:1iax:11 :A :438 :B :ferredoxin:Azotobacter vinelandii: > 1.90: 0.19 > ILSKLATNE-----SPYFDGWKAYDSDPFHPLKNPNGVIQMGLAENQLCLDLIEDWIKRN // > NAGLFCWMDLRPLLRESTFDSEMSLWRVIINDVKLNVSPGSSFECQEPGWFRVCFANMDD > GTVDIALARIRRFVGVEK/..* ... > read_te_290E> Number of residues in the alignment and pdb files are > different: 836 834 > For alignment entry: 1 1iax > x (mismatch at alignment position 835) > Alignment VDIALARIRRFVGVEK.. > PDB VDIALARIRRFVGVEK > Match **************** > > Please check your alignment file header to be sure you correctly specified > the starting and ending residue numbers and chains. The alignment sequence > must match that from the atom file exactly.
You should follow the advice in the error message, and check your alignment file header. Your header tells Modeller to read residues 11:A through 438:B from your PDB file, so it's not going to read the HETATMs, which come after 438:B. Fix your alignment header.
BTW, your PDB file contains 4 HETAMs (two SO4 and two PLP) but your alignment sequence contains only two.
Ben Webb, Modeller Caretaker