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the missing residues, non-classical amino-acids, and sequence gaps have been replaced by a "X" symbol.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 4N3W ALY C 20 LYS N(6)-ACETYLLYSINE LINK C ARG C 19 N ALY C 20 1555 1555 1.33 LINK C ALY C 20 N VAL C 21 1555 1555 1.32 HETATM 1556 OH ALY C 20 25.857 11.092 12.562 1.00 37.21 O HETATM 1557 CH ALY C 20 26.743 10.880 13.371 1.00 36.43 C HETATM 1558 CH3 ALY C 20 27.028 9.536 13.929 1.00 33.93 C HETATM 1559 NZ ALY C 20 27.532 11.840 13.799 1.00 34.72 N HETATM 1560 CE ALY C 20 27.397 13.247 13.411 1.00 34.98 C HETATM 1561 CD ALY C 20 28.765 13.743 12.950 1.00 38.23 C HETATM 1562 CG ALY C 20 28.749 15.132 12.351 1.00 37.92 C HETATM 1563 CB ALY C 20 30.136 15.521 11.777 1.00 40.07 C HETATM 1564 CA ALY C 20 30.050 17.024 11.518 1.00 41.43 C HETATM 1565 N ALY C 20 29.264 17.297 10.318 1.00 42.10 N HETATM 1566 C ALY C 20 31.431 17.624 11.405 1.00 51.16 C HETATM 1567 O ALY C 20 32.181 17.323 10.507 1.00 47.11 O
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