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the missing residues, non-classical amino-acids, and sequence gaps have been replaced by a "X" symbol.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).
|
REMARK 470 MLY B 20 O REMARK 500 CH2 MLY B 20 O HOH B 161 2.06 MODRES 2IG0 MLY B 20 LYS N-DIMETHYL-LYSINE LINK C ARG B 19 N MLY B 20 1555 1555 1.34 HETATM 1111 N MLY B 20 -6.972 3.713 7.647 1.00 66.83 N HETATM 1112 CA MLY B 20 -7.945 4.007 8.702 1.00 66.12 C HETATM 1113 CB MLY B 20 -7.563 3.433 10.090 1.00 66.14 C HETATM 1114 CG MLY B 20 -6.190 2.767 10.319 1.00 62.14 C HETATM 1115 CD MLY B 20 -6.348 1.267 10.585 1.00 57.11 C HETATM 1116 CE MLY B 20 -5.852 0.609 11.891 1.00 48.56 C HETATM 1117 NZ MLY B 20 -4.372 0.320 11.992 1.00 38.99 N HETATM 1118 CH1 MLY B 20 -4.088 -1.008 12.569 1.00 39.49 C HETATM 1119 CH2 MLY B 20 -3.615 0.499 10.740 1.00 42.72 C HETATM 1120 C MLY B 20 -8.164 5.501 8.806 1.00 66.34 C TER 1121 MLY B 20
|
|