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the missing residues, non-classical amino-acids, and sequence gaps have been replaced by a "X" symbol.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 3IJ1 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 1.33 HETATM 2945 N M3L B 20 18.310 12.335 17.728 1.00 31.27 N HETATM 2946 CA M3L B 20 17.242 13.239 18.167 1.00 30.15 C HETATM 2947 CB M3L B 20 17.803 14.493 18.845 1.00 29.51 C HETATM 2948 CG M3L B 20 16.735 15.201 19.677 1.00 26.92 C HETATM 2949 CD M3L B 20 17.243 16.528 20.231 1.00 23.70 C HETATM 2950 CE M3L B 20 16.110 17.351 20.861 1.00 21.41 C HETATM 2951 NZ M3L B 20 16.558 18.525 21.654 1.00 21.49 N HETATM 2952 C M3L B 20 16.359 13.624 17.011 1.00 30.16 C HETATM 2953 O M3L B 20 15.141 13.716 17.154 1.00 29.34 O HETATM 2954 CM1 M3L B 20 15.371 19.259 22.118 1.00 19.49 C HETATM 2955 CM2 M3L B 20 17.389 19.437 20.847 1.00 18.78 C HETATM 2956 CM3 M3L B 20 17.325 18.103 22.841 1.00 20.49 C
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