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the missing residues, non-classical amino-acids, and sequence gaps have been replaced by a "X" symbol.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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REMARK 500 ALY B 16 O - C - N ANGL. DEV. = -21.9 DEGREES REMARK 500 ALY B 16 27.94 MODRES 3UVX ALY B 16 LYS N(6)-ACETYLLYSINE LINK C ALA B 15 N ALY B 16 1555 1555 1.34 LINK C ALY B 16 N ARG B 17 1555 1555 1.38 HETATM 1107 OH ALY B 16 28.582 38.317 22.867 1.00 41.47 O HETATM 1108 CH ALY B 16 27.796 38.009 23.753 1.00 56.71 C HETATM 1109 CH3 ALY B 16 26.776 36.931 23.537 1.00 46.69 C HETATM 1110 NZ ALY B 16 27.800 38.598 24.961 1.00 37.90 N HETATM 1111 CE ALY B 16 28.681 39.670 25.441 1.00 39.69 C HETATM 1112 CD ALY B 16 29.913 39.026 26.084 1.00 32.67 C HETATM 1113 CG ALY B 16 29.608 38.587 27.519 1.00 39.96 C HETATM 1114 CB ALY B 16 30.778 37.874 28.185 1.00 38.97 C HETATM 1115 CA ALY B 16 30.447 37.391 29.603 1.00 39.56 C HETATM 1116 N ALY B 16 30.174 38.512 30.493 1.00 45.02 N HETATM 1117 C ALY B 16 31.551 36.559 30.251 1.00 56.50 C HETATM 1118 O ALY B 16 32.037 35.630 29.589 1.00 50.95 O
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