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the missing residues, non-classical amino-acids, and sequence gaps have been replaced by a "X" symbol.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 E 20 LYS N-DIMETHYL-LYSINE SHEET 4 G 4 MLY E 20 LEU E 22 1 O MLY E 20 N TYR B 274 LINK C ARG E 19 N MLY E 20 1555 1555 1.33 LINK C MLY E 20 N VAL E 21 1555 1555 1.32 SITE 4 AC2 15 HOH B 398 HIS E 18 MLY E 20 HETATM 5163 N MLY E 20 -2.116 -9.862 14.026 1.00 16.35 N ANISOU 5163 N MLY E 20 1792 2139 2283 33 111 -67 N HETATM 5164 CA MLY E 20 -2.368 -9.061 15.213 1.00 14.97 C ANISOU 5164 CA MLY E 20 1664 1848 2175 -19 -23 -20 C HETATM 5165 CB MLY E 20 -3.258 -7.858 14.941 1.00 15.25 C ANISOU 5165 CB MLY E 20 1627 1960 2208 -55 -27 -25 C HETATM 5166 CG MLY E 20 -2.624 -6.940 13.897 1.00 15.67 C ANISOU 5166 CG MLY E 20 1735 1862 2358 46 44 130 C HETATM 5167 CD MLY E 20 -3.639 -5.901 13.450 1.00 15.11 C ANISOU 5167 CD MLY E 20 1673 1659 2410 -170 82 199 C HETATM 5168 CE MLY E 20 -3.076 -5.109 12.295 1.00 15.89 C ANISOU 5168 CE MLY E 20 1768 1823 2445 -61 -121 380 C HETATM 5169 NZ MLY E 20 -2.587 -5.947 11.194 1.00 17.92 N ANISOU 5169 NZ MLY E 20 2063 2474 2272 -516 270 398 N HETATM 5170 CH1 MLY E 20 -3.615 -6.924 10.755 1.00 20.11 C ANISOU 5170 CH1 MLY E 20 2173 2791 2677 -573 25 241 C HETATM 5171 CH2 MLY E 20 -2.232 -5.035 10.081 1.00 19.02 C ANISOU 5171 CH2 MLY E 20 2271 2677 2280 -491 385 416 C HETATM 5172 C MLY E 20 -3.007 -9.952 16.238 1.00 14.09 C ANISOU 5172 C MLY E 20 1534 1721 2100 79 -11 73 C HETATM 5173 O MLY E 20 -3.840 -10.813 15.900 1.00 14.38 O ANISOU 5173 O MLY E 20 1450 1614 2398 -48 50 -64 O
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