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the missing residues, non-classical amino-acids, and sequence gaps have been replaced by a "X" symbol.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 F 20 LYS N-DIMETHYL-LYSINE SHEET 4 C 4 MLY F 20 VAL F 21 1 O MLY F 20 N TYR A 274 LINK C ARG F 19 N MLY F 20 1555 1555 1.32 LINK C MLY F 20 N VAL F 21 1555 1555 1.32 SITE 5 AC1 18 HIS F 18 MLY F 20 HETATM 5247 N MLY F 20 0.545 3.890 -7.806 1.00 18.79 N ANISOU 5247 N MLY F 20 2477 2440 2222 -195 174 -43 N HETATM 5248 CA MLY F 20 1.144 2.569 -7.952 1.00 18.39 C ANISOU 5248 CA MLY F 20 2402 2376 2211 -247 91 -68 C HETATM 5249 CB MLY F 20 2.037 2.480 -9.178 1.00 19.30 C ANISOU 5249 CB MLY F 20 2422 2594 2316 -237 92 -34 C HETATM 5250 CG MLY F 20 1.238 2.817 -10.424 1.00 20.53 C ANISOU 5250 CG MLY F 20 2510 2777 2515 -278 208 51 C HETATM 5251 CD MLY F 20 2.168 2.997 -11.630 1.00 22.66 C ANISOU 5251 CD MLY F 20 2795 3040 2773 -315 318 64 C HETATM 5252 CE MLY F 20 1.398 3.583 -12.809 1.00 24.52 C ANISOU 5252 CE MLY F 20 3418 3231 2668 -90 431 -39 C HETATM 5253 NZ MLY F 20 2.215 3.729 -14.042 1.00 26.32 N ANISOU 5253 NZ MLY F 20 3770 3225 3004 109 759 -96 N HETATM 5254 CH1 MLY F 20 2.469 2.462 -14.736 1.00 24.47 C ANISOU 5254 CH1 MLY F 20 3705 2979 2612 -13 696 -113 C HETATM 5255 CH2 MLY F 20 1.450 4.575 -14.950 1.00 28.13 C ANISOU 5255 CH2 MLY F 20 4199 3601 2890 13 653 -60 C HETATM 5256 C MLY F 20 1.894 2.331 -6.666 1.00 18.75 C ANISOU 5256 C MLY F 20 2557 2415 2153 -196 60 -138 C HETATM 5257 O MLY F 20 2.501 3.263 -6.132 1.00 18.61 O ANISOU 5257 O MLY F 20 2383 2487 2202 -495 24 -328 O
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