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the missing residues, non-classical amino-acids, and sequence gaps have been replaced by a "X" symbol.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 3QZV ALY C 12 LYS N(6)-ACETYLLYSINE LINK C GLY C 11 N ALY C 12 1555 1555 1.33 HETATM 1408 OH ALY C 12 2.233 6.052 -12.183 1.00 31.43 O ANISOU 1408 OH ALY C 12 3376 5570 2994 -804 206 -991 O HETATM 1409 CH ALY C 12 2.439 7.255 -12.264 1.00 33.54 C ANISOU 1409 CH ALY C 12 3669 5813 3260 -744 2 -435 C HETATM 1410 CH3 ALY C 12 3.679 7.773 -12.965 1.00 34.66 C ANISOU 1410 CH3 ALY C 12 3749 6172 3247 -1083 164 -375 C HETATM 1411 NZ ALY C 12 1.651 8.188 -11.729 1.00 33.56 N ANISOU 1411 NZ ALY C 12 3693 5526 3533 -402 -317 97 N HETATM 1412 CE ALY C 12 0.450 7.836 -10.976 1.00 32.90 C ANISOU 1412 CE ALY C 12 3568 5321 3612 -97 -400 24 C HETATM 1413 CD ALY C 12 -0.717 8.662 -11.471 1.00 39.82 C ANISOU 1413 CD ALY C 12 4181 6459 4491 -41 -750 649 C HETATM 1414 CG ALY C 12 -1.973 8.189 -10.761 1.00 41.37 C ANISOU 1414 CG ALY C 12 4199 6681 4838 200 -741 448 C HETATM 1415 CB ALY C 12 -3.143 9.065 -11.149 1.00 48.66 C ANISOU 1415 CB ALY C 12 4691 7789 6010 394 -1125 1053 C HETATM 1416 CA ALY C 12 -4.288 8.914 -10.154 1.00 49.12 C ANISOU 1416 CA ALY C 12 4466 7748 6448 758 -1013 756 C HETATM 1417 N ALY C 12 -4.812 7.557 -10.225 1.00 47.97 N ANISOU 1417 N ALY C 12 4284 8116 5827 358 -832 382 N HETATM 1418 C ALY C 12 -5.377 9.895 -10.562 1.00 56.55 C ANISOU 1418 C ALY C 12 4814 8758 7914 1078 -1429 1359 C HETATM 1419 O ALY C 12 -6.421 9.498 -11.080 1.00 61.09 O ANISOU 1419 O ALY C 12 4941 9980 8289 915 -1646 1546 O TER 1420 ALY C 12
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