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the missing residues, non-classical amino-acids, and sequence gaps have been replaced by a "X" symbol.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 4QUU ALY B 5 LYS N(6)-ACETYLLYSINE LINK C GLY B 4 N ALY B 5 1555 1555 1.33 LINK C ALY B 5 N GLY B 6 1555 1555 1.34 HETATM 1182 OH ALY B 5 24.068 43.444 -11.689 1.00 27.26 O ANISOU 1182 OH ALY B 5 2960 4491 2905 81 345 447 O HETATM 1183 CH ALY B 5 24.194 44.348 -10.891 1.00 27.96 C ANISOU 1183 CH ALY B 5 3025 4514 3083 -18 378 437 C HETATM 1184 CH3 ALY B 5 23.382 44.419 -9.617 1.00 27.66 C ANISOU 1184 CH3 ALY B 5 3010 4398 3101 -61 311 375 C HETATM 1185 NZ ALY B 5 24.998 45.381 -11.030 1.00 30.93 N ANISOU 1185 NZ ALY B 5 3357 4871 3523 -102 484 470 N HETATM 1186 CE ALY B 5 25.850 45.594 -12.177 1.00 34.56 C ANISOU 1186 CE ALY B 5 3789 5389 3952 -81 582 543 C HETATM 1187 CD ALY B 5 27.187 45.002 -11.864 1.00 35.96 C ANISOU 1187 CD ALY B 5 3850 5694 4120 -112 574 479 C HETATM 1188 CG ALY B 5 28.020 45.098 -13.100 1.00 36.94 C ANISOU 1188 CG ALY B 5 3946 5889 4202 -75 673 557 C HETATM 1189 CB ALY B 5 29.430 44.696 -12.745 1.00 38.35 C ANISOU 1189 CB ALY B 5 3984 6207 4380 -117 681 493 C HETATM 1190 CA ALY B 5 30.261 44.414 -13.983 1.00 39.75 C ANISOU 1190 CA ALY B 5 4130 6487 4485 -44 758 566 C HETATM 1191 N ALY B 5 29.634 43.365 -14.791 1.00 37.16 N ANISOU 1191 N ALY B 5 3896 6192 4032 122 689 598 N HETATM 1192 C ALY B 5 31.637 43.998 -13.530 1.00 44.42 C ANISOU 1192 C ALY B 5 4567 7239 5072 -78 759 495 C HETATM 1193 O ALY B 5 32.488 44.856 -13.284 1.00 47.67 O ANISOU 1193 O ALY B 5 4867 7674 5572 -216 851 470 O
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