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the missing residues, non-classical amino-acids, and sequence gaps have been replaced by a "X" symbol.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 3QZT ALY B 16 LYS N(6)-ACETYLLYSINE LINK C ALA B 15 N ALY B 16 1555 1555 1.32 LINK C ALY B 16 N ARG B 17 1555 1555 1.32 HETATM 956 OH ALY B 16 24.246 2.921 10.348 1.00 13.84 O ANISOU 956 OH ALY B 16 1649 1961 1646 -174 9 7 O HETATM 957 CH ALY B 16 24.296 2.979 11.542 1.00 13.58 C ANISOU 957 CH ALY B 16 1606 1868 1683 -141 29 -18 C HETATM 958 CH3 ALY B 16 23.119 2.510 12.345 1.00 16.35 C ANISOU 958 CH3 ALY B 16 1959 2185 2068 -169 28 -58 C HETATM 959 NZ ALY B 16 25.354 3.433 12.196 1.00 19.15 N ANISOU 959 NZ ALY B 16 2305 2539 2430 -97 51 -9 N HETATM 960 CE ALY B 16 26.466 3.948 11.373 1.00 23.57 C ANISOU 960 CE ALY B 16 2845 3133 2979 -72 61 40 C HETATM 961 CD ALY B 16 27.838 4.213 11.916 1.00 27.85 C ANISOU 961 CD ALY B 16 3372 3639 3572 -30 79 62 C HETATM 962 CG ALY B 16 28.659 4.501 10.671 1.00 28.81 C ANISOU 962 CG ALY B 16 3471 3810 3664 -20 112 107 C HETATM 963 CB ALY B 16 29.993 3.821 10.766 1.00 33.58 C ANISOU 963 CB ALY B 16 4075 4379 4305 22 173 100 C HETATM 964 CA ALY B 16 31.041 4.839 10.394 1.00 33.72 C ANISOU 964 CA ALY B 16 4023 4413 4378 41 183 179 C HETATM 965 N ALY B 16 31.348 4.550 9.003 1.00 36.97 N ANISOU 965 N ALY B 16 4456 4878 4712 28 272 172 N HETATM 966 C ALY B 16 32.160 4.596 11.327 1.00 33.12 C ANISOU 966 C ALY B 16 3904 4268 4410 78 175 207 C HETATM 967 O ALY B 16 32.990 3.702 11.118 1.00 34.46 O ANISOU 967 O ALY B 16 4059 4404 4629 113 245 201 O
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