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the missing residues, non-classical amino-acids, and sequence gaps have been replaced by a "X" symbol.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 4QYD 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 981 OH ALY B 12 5.081 95.171 97.864 1.00 23.66 O ANISOU 981 OH ALY B 12 2595 3080 3313 454 845 172 O HETATM 982 CH ALY B 12 5.646 95.269 98.949 1.00 28.17 C ANISOU 982 CH ALY B 12 3054 3549 4102 375 682 214 C HETATM 983 CH3 ALY B 12 6.956 94.583 99.210 1.00 25.05 C ANISOU 983 CH3 ALY B 12 2569 2999 3951 386 803 513 C HETATM 984 NZ ALY B 12 5.168 95.978 99.978 1.00 23.37 N ANISOU 984 NZ ALY B 12 2404 2965 3509 297 391 19 N HETATM 985 CE ALY B 12 3.924 96.748 99.928 1.00 21.60 C ANISOU 985 CE ALY B 12 2227 2875 3105 324 285 -217 C HETATM 986 CD ALY B 12 2.695 95.834 100.001 1.00 22.84 C ANISOU 986 CD ALY B 12 2513 3279 2888 271 375 -431 C HETATM 987 CG ALY B 12 1.388 96.610 99.799 1.00 25.65 C ANISOU 987 CG ALY B 12 2856 3803 3087 322 307 -568 C HETATM 988 CB ALY B 12 1.147 97.663 100.883 1.00 25.30 C ANISOU 988 CB ALY B 12 2785 3708 3120 398 110 -697 C HETATM 989 CA ALY B 12 -0.335 98.068 100.980 1.00 24.37 C ANISOU 989 CA ALY B 12 2658 3810 2793 484 122 -811 C HETATM 990 N ALY B 12 -0.769 98.703 99.745 1.00 24.83 N ANISOU 990 N ALY B 12 2630 3915 2888 537 184 -689 N HETATM 991 C ALY B 12 -0.502 98.981 102.166 1.00 34.07 C ANISOU 991 C ALY B 12 3948 4957 4039 623 -21 -978 C HETATM 992 O ALY B 12 -0.317 98.535 103.316 1.00 45.42 O ANISOU 992 O ALY B 12 5476 6427 5354 624 -88 -1090 O
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