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the missing residues, non-classical amino-acids, and sequence gaps have been replaced by a "X" symbol.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 3JPX M3L B 20 LYS N-TRIMETHYLLYSINE LINK C ARG B 19 N M3L B 20 1555 1555 1.33 LINK C M3L B 20 N VAL B 21 1555 1555 1.34 HETATM 2927 N M3L B 20 18.181 30.282 27.991 1.00 22.53 N HETATM 2928 CA M3L B 20 17.134 29.384 27.557 1.00 22.49 C HETATM 2929 CB M3L B 20 17.726 28.207 26.763 1.00 21.06 C HETATM 2930 CG M3L B 20 16.637 27.370 26.118 1.00 18.22 C HETATM 2931 CD M3L B 20 17.241 26.088 25.559 1.00 16.71 C HETATM 2932 CE M3L B 20 16.112 25.356 24.760 1.00 13.88 C HETATM 2933 NZ M3L B 20 16.523 24.118 24.033 1.00 19.05 N HETATM 2934 C M3L B 20 16.235 28.969 28.671 1.00 22.46 C HETATM 2935 O M3L B 20 15.009 28.820 28.464 1.00 20.48 O HETATM 2936 CM1 M3L B 20 17.294 24.376 22.802 1.00 15.73 C HETATM 2937 CM2 M3L B 20 15.335 23.362 23.524 1.00 13.70 C HETATM 2938 CM3 M3L B 20 17.392 23.295 24.928 1.00 12.24 C
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