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the missing residues, non-classical amino-acids, and sequence gaps have been replaced by a "X" symbol.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 3QZS ALY C 16 LYS N(6)-ACETYLLYSINE LINK C ALA C 15 N ALY C 16 1555 1555 1.33 LINK C ALY C 16 N ARG C 17 1555 1555 1.33 HETATM 1862 OH ALY C 16 10.869 7.643 7.313 1.00 11.39 O ANISOU 1862 OH ALY C 16 2535 1002 790 -60 -240 -63 O HETATM 1863 CH ALY C 16 12.042 7.868 7.519 1.00 15.07 C ANISOU 1863 CH ALY C 16 2997 1374 1355 -89 -471 -60 C HETATM 1864 CH3 ALY C 16 12.578 7.723 8.901 1.00 12.20 C ANISOU 1864 CH3 ALY C 16 2829 1055 750 -51 -677 -125 C HETATM 1865 NZ ALY C 16 12.864 8.266 6.555 1.00 16.15 N ANISOU 1865 NZ ALY C 16 2925 1413 1797 -139 -553 43 N HETATM 1866 CE ALY C 16 12.243 8.340 5.244 1.00 17.27 C ANISOU 1866 CE ALY C 16 2879 1662 2020 -136 -345 133 C HETATM 1867 CD ALY C 16 12.182 9.705 4.632 1.00 23.53 C ANISOU 1867 CD ALY C 16 3487 2377 3077 -154 -401 228 C HETATM 1868 CG ALY C 16 11.523 9.654 3.230 1.00 18.80 C ANISOU 1868 CG ALY C 16 2681 2013 2448 -136 -192 389 C HETATM 1869 CB ALY C 16 12.520 9.290 2.171 1.00 20.17 C ANISOU 1869 CB ALY C 16 2597 2438 2628 -103 -149 617 C HETATM 1870 CA ALY C 16 11.965 9.158 0.734 1.00 19.64 C ANISOU 1870 CA ALY C 16 2319 2772 2369 -17 31 736 C HETATM 1871 N ALY C 16 13.190 9.021 -0.094 1.00 25.44 N ANISOU 1871 N ALY C 16 2762 3826 3077 67 82 981 N HETATM 1872 C ALY C 16 10.988 10.187 0.169 1.00 19.23 C ANISOU 1872 C ALY C 16 2139 2764 2404 -52 56 928 C HETATM 1873 O ALY C 16 11.382 11.323 -0.213 1.00 20.95 O ANISOU 1873 O ALY C 16 2076 2968 2916 -107 -17 1324 O
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