Dear Sir
Presently I am studying protein-ligand interaction in which one of the
residue along the active site have been mutated to ILE . Now when I load
the protein in tleap it shows the following error
complex=loadpdb C1191I_ZINC7271_min.pdb
Loading PDB file: ./C1191I_ZINC7271_min.pdb
Created a new atom named: CD within residue: .R<ILE 709>
Added missing heavy atom: .R<ILE 709>.A<CD1 14>
Created a new atom named: CD within residue: .R<ILE 731>
Added missing heavy atom: .R<ILE 731>.A<CD1 14>
Created a new atom named: CD within residue: .R<ILE 752>
Added missing heavy atom: .R<ILE 752>.A<CD1 14>
Created a new atom named: CD within residue: .R<ILE 766>
Added missing heavy atom: .R<ILE 766>.A<CD1 14>
Created a new atom named: CD within residue: .R<ILE 828>
Added missing heavy atom: .R<ILE 828>.A<CD1 14>
Created a new atom named: CD within residue: .R<ILE 835>
Added missing heavy atom: .R<ILE 835>.A<CD1 14>
Created a new atom named: CD within residue: .R<ILE 899>
Added missing heavy atom: .R<ILE 899>.A<CD1 14>
Created a new atom named: CD within residue: .R<ILE 923>
Added missing heavy atom: .R<ILE 923>.A<CD1 14>
Created a new atom named: CD within residue: .R<ILE 942>
Added missing heavy atom: .R<ILE 942>.A<CD1 14>
Created a new atom named: CD within residue: .R<ILE 974>
Added missing heavy atom: .R<ILE 974>.A<CD1 14>
Created a new atom named: CD within residue: .R<ILE 977>
Added missing heavy atom: .R<ILE 977>.A<CD1 14>
Created a new atom named: CD within residue: .R<ILE 980>
Added missing heavy atom: .R<ILE 980>.A<CD1 14>
Created a new atom named: CD within residue: .R<ILE 995>
Added missing heavy atom: .R<ILE 995>.A<CD1 14>
Created a new atom named: CD within residue: .R<ILE 997>
Added missing heavy atom: .R<ILE 997>.A<CD1 14>
Created a new atom named: CD within residue: .R<ILE 1020>
Added missing heavy atom: .R<ILE 1020>.A<CD1 14>
Created a new atom named: CD within residue: .R<ILE 1114>
Added missing heavy atom: .R<ILE 1114>.A<CD1 14>
Created a new atom named: CD within residue: .R<ILE 1121>
Added missing heavy atom: .R<ILE 1121>.A<CD1 14>
Created a new atom named: CD within residue: .R<ILE 1145>
Added missing heavy atom: .R<ILE 1145>.A<CD1 14>
Created a new atom named: CD within residue: .R<ILE 1147>
Added missing heavy atom: .R<ILE 1147>.A<CD1 14>
Created a new atom named: CD within residue: .R<ILE 1268>
Added missing heavy atom: .R<ILE 1268>.A<CD1 14>
Created a new atom named: CD within residue: .R<ILE 1269>
Added missing heavy atom: .R<ILE 1269>.A<CD1 14>
Created a new atom named: CD within residue: .R<ILE 1308>
Added missing heavy atom: .R<ILE 1308>.A<CD1 14>
Created a new atom named: CD within residue: .R<ILE 1319>
Added missing heavy atom: .R<ILE 1319>.A<CD1 14>
Created a new atom named: CD within residue: .R<ILE 1340>
Added missing heavy atom: .R<ILE 1340>.A<CD1 14>
Created a new atom named: CD within residue: .R<ILE 1362>
Added missing heavy atom: .R<ILE 1362>.A<CD1 14>
Created a new atom named: CD within residue: .R<ILE 1367>
Added missing heavy atom: .R<ILE 1367>.A<CD1 14>
Created a new atom named: CD within residue: .R<ILE 1382>
Added missing heavy atom: .R<ILE 1382>.A<CD1 14>
Created a new atom named: CD within residue: .R<ILE 1396>
Added missing heavy atom: .R<ILE 1396>.A<CD1 14>
Created a new atom named: CD within residue: .R<ILE 1446>
Added missing heavy atom: .R<ILE 1446>.A<CD1 14>
Created a new atom named: CD within residue: .R<ILE 1519>
Added missing heavy atom: .R<ILE 1519>.A<CD1 14>
Created a new atom named: CD within residue: .R<ILE 1538>
Added missing heavy atom: .R<ILE 1538>.A<CD1 14>
Created a new atom named: CD within residue: .R<ILE 1542>
Added missing heavy atom: .R<ILE 1542>.A<CD1 14>
Added missing heavy atom: .R<CALA 1550>.A<OXT 11>
total atoms in file: 7224
Leap added 7130 missing atoms according to residue templates:
33 Heavy
7097 H / lone pairs
The file contained 32 atoms not in residue templates
I request you to kindly guide me rectifying the above error.
Regards
Arunima
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Received on Mon Apr 07 2014 - 23:00:03 PDT
