Modeller
If you want to use this structure as a template for modelisation with Modeller, you can use the following sequence to build the alignment file "*.ali".
To avoid the classical Modeller error :
'Number of residues in the alignment and pdb files are different'(see FAQ n°17),
the missing residues, non-classical amino-acids, and sequence gaps have been replaced by a "X" symbol.
1) align this sequence with your sequence to modelised;
2) replace the "X" by "-" in the obtained alignement, then build your "*.ali" file;
3) use Modeller to make your models;
4) And finally use the following information found in the PDB to add this PTM in your models (see FAQ n°8 & 9 and this archive of Modeller usage).
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MODRES 4N4F ALY C 12 LYS N(6)-ACETYLLYSINE LINK C GLY C 11 N ALY C 12 1555 1555 1.32 HETATM 1613 OH ALY C 12 -25.735 11.402 -12.721 1.00 32.08 O HETATM 1614 CH ALY C 12 -26.583 11.152 -13.550 1.00 32.87 C HETATM 1615 CH3 ALY C 12 -26.854 9.799 -14.150 1.00 30.85 C HETATM 1616 NZ ALY C 12 -27.370 12.114 -13.942 1.00 30.64 N HETATM 1617 CE ALY C 12 -27.275 13.520 -13.445 1.00 29.85 C HETATM 1618 CD ALY C 12 -28.615 14.132 -12.980 1.00 32.81 C HETATM 1619 CG ALY C 12 -28.411 15.471 -12.236 1.00 35.14 C HETATM 1620 CB ALY C 12 -29.786 15.865 -11.666 1.00 39.16 C HETATM 1621 CA ALY C 12 -29.743 17.283 -11.163 1.00 39.94 C HETATM 1622 N ALY C 12 -28.826 17.358 -10.058 1.00 36.25 N HETATM 1623 C ALY C 12 -31.118 17.653 -10.690 1.00 46.57 C HETATM 1624 O ALY C 12 -32.092 17.768 -11.468 1.00 49.53 O TER 1625 ALY C 12
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