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the missing residues, non-classical amino-acids, and sequence gaps have been replaced by a "X" symbol.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 4QUT ALY B 12 LYS N(6)-ACETYLLYSINE LINK C GLY B 11 N ALY B 12 1555 1555 1.33 LINK C ALY B 12 N GLY B 13 1555 1555 1.33 HETATM 1196 OH ALY B 12 24.385 43.471 -11.689 1.00 18.34 O ANISOU 1196 OH ALY B 12 2144 2694 2130 11 171 82 O HETATM 1197 CH ALY B 12 24.640 44.326 -10.819 1.00 20.20 C ANISOU 1197 CH ALY B 12 2362 2909 2403 -32 198 66 C HETATM 1198 CH3 ALY B 12 23.837 44.415 -9.539 1.00 20.35 C ANISOU 1198 CH3 ALY B 12 2375 2909 2447 -39 159 56 C HETATM 1199 NZ ALY B 12 25.600 45.245 -10.982 1.00 22.89 N ANISOU 1199 NZ ALY B 12 2692 3242 2765 -82 270 53 N HETATM 1200 CE ALY B 12 26.352 45.252 -12.239 1.00 25.84 C ANISOU 1200 CE ALY B 12 3077 3627 3115 -76 319 68 C HETATM 1201 CD ALY B 12 27.235 46.488 -12.479 1.00 30.37 C ANISOU 1201 CD ALY B 12 3652 4167 3719 -141 425 57 C HETATM 1202 CG ALY B 12 28.565 46.397 -11.809 1.00 32.83 C ANISOU 1202 CG ALY B 12 3875 4541 4057 -205 440 -18 C HETATM 1203 CB ALY B 12 29.367 47.708 -11.892 1.00 33.44 C ANISOU 1203 CB ALY B 12 3948 4581 4178 -298 558 -50 C HETATM 1204 CA ALY B 12 29.921 48.024 -13.274 1.00 33.54 C ANISOU 1204 CA ALY B 12 3999 4566 4177 -295 647 -14 C HETATM 1205 N ALY B 12 30.535 46.855 -13.874 1.00 30.62 N ANISOU 1205 N ALY B 12 3588 4278 3768 -246 599 -16 N HETATM 1206 C ALY B 12 30.924 49.170 -13.193 1.00 41.36 C ANISOU 1206 C ALY B 12 4967 5527 5221 -407 774 -69 C HETATM 1207 O ALY B 12 30.716 50.134 -12.449 1.00 43.38 O ANISOU 1207 O ALY B 12 5237 5724 5522 -476 827 -101 O
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