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the missing residues, non-classical amino-acids, and sequence gaps have been replaced by a "X" symbol.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 3F9X MLY G 20 LYS N-DIMETHYL-LYSINE SHEET 4 K 4 MLY G 20 VAL G 21 1 O MLY G 20 N TYR C 274 LINK C ARG G 19 N MLY G 20 1555 1555 1.33 LINK C MLY G 20 N VAL G 21 1555 1555 1.34 HETATM 5322 N MLY G 20 -3.153 12.228 -32.196 1.00 27.14 N ANISOU 5322 N MLY G 20 3402 3329 3581 271 35 -155 N HETATM 5323 CA MLY G 20 -3.479 12.830 -30.901 1.00 25.37 C ANISOU 5323 CA MLY G 20 3174 3139 3328 232 -73 -178 C HETATM 5324 CB MLY G 20 -4.250 14.130 -31.088 1.00 25.37 C ANISOU 5324 CB MLY G 20 3122 3137 3382 216 -93 -120 C HETATM 5325 CG MLY G 20 -3.584 15.109 -32.062 1.00 25.30 C ANISOU 5325 CG MLY G 20 3175 2979 3460 294 -34 14 C HETATM 5326 CD MLY G 20 -4.611 16.105 -32.623 1.00 25.85 C ANISOU 5326 CD MLY G 20 3240 2959 3622 210 119 37 C HETATM 5327 CE MLY G 20 -4.130 16.929 -33.824 1.00 27.42 C ANISOU 5327 CE MLY G 20 3426 3397 3596 134 -23 -125 C HETATM 5328 NZ MLY G 20 -3.795 16.103 -34.996 1.00 26.51 N ANISOU 5328 NZ MLY G 20 3142 3157 3772 -138 -196 -444 N HETATM 5329 CH1 MLY G 20 -4.896 15.181 -35.383 1.00 25.40 C ANISOU 5329 CH1 MLY G 20 2900 3218 3532 -482 -631 -652 C HETATM 5330 CH2 MLY G 20 -3.518 16.965 -36.154 1.00 27.13 C ANISOU 5330 CH2 MLY G 20 3369 3142 3798 -7 73 -379 C HETATM 5331 C MLY G 20 -4.239 11.820 -30.097 1.00 23.38 C ANISOU 5331 C MLY G 20 2883 2939 3063 315 -130 -261 C HETATM 5332 O MLY G 20 -5.065 11.078 -30.659 1.00 21.97 O ANISOU 5332 O MLY G 20 2576 2875 2897 459 -350 -559 O
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