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the missing residues, non-classical amino-acids, and sequence gaps have been replaced by a "X" symbol.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 3QBY M3L H 20 LYS N-TRIMETHYLLYSINE LINK C ARG H 19 N M3L H 20 1555 1555 1.33 HETATM 2035 N M3L H 20 23.589 -14.619 -21.459 1.00 57.44 N HETATM 2036 CA M3L H 20 22.531 -15.621 -21.583 1.00 56.80 C HETATM 2037 CB M3L H 20 21.916 -15.640 -22.976 1.00 56.48 C HETATM 2038 CG M3L H 20 20.653 -16.499 -22.954 1.00 54.72 C HETATM 2039 CD M3L H 20 19.751 -16.249 -24.155 1.00 50.46 C HETATM 2040 CE M3L H 20 18.560 -15.410 -23.728 1.00 46.35 C HETATM 2041 NZ M3L H 20 17.288 -15.713 -24.400 1.00 44.14 N HETATM 2042 C M3L H 20 23.039 -16.984 -21.197 1.00 56.98 C HETATM 2043 O M3L H 20 24.229 -17.278 -21.334 1.00 57.17 O HETATM 2044 CM1 M3L H 20 16.324 -15.992 -23.334 1.00 41.90 C HETATM 2045 CM2 M3L H 20 17.363 -16.860 -25.328 1.00 43.05 C HETATM 2046 CM3 M3L H 20 16.840 -14.519 -25.128 1.00 41.64 C TER 2047 M3L H 20
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