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the missing residues, non-classical amino-acids, and sequence gaps have been replaced by a "X" symbol.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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REMARK 500 ALY B 12 C - N - CA ANGL. DEV. = 21.3 DEGREES REMARK 500 ALY B 12 O - C - N ANGL. DEV. = -22.9 DEGREES REMARK 500 ALY B 12 31.52 MODRES 3UVX ALY B 12 LYS N(6)-ACETYLLYSINE LINK C GLY B 11 N ALY B 12 1555 1555 1.34 LINK C ALY B 12 N GLY B 13 1555 1555 1.36 HETATM 1082 OH ALY B 12 30.636 42.775 19.398 1.00 20.27 O HETATM 1083 CH ALY B 12 30.467 41.572 19.428 1.00 17.41 C HETATM 1084 CH3 ALY B 12 31.513 40.581 19.011 1.00 25.01 C HETATM 1085 NZ ALY B 12 29.319 41.073 19.859 1.00 19.34 N HETATM 1086 CE ALY B 12 28.170 41.870 20.275 1.00 26.32 C HETATM 1087 CD ALY B 12 28.134 41.782 21.772 1.00 32.44 C HETATM 1088 CG ALY B 12 27.115 42.757 22.330 1.00 34.85 C HETATM 1089 CB ALY B 12 27.552 43.076 23.753 1.00 44.15 C HETATM 1090 CA ALY B 12 26.708 44.138 24.439 1.00 58.09 C HETATM 1091 N ALY B 12 26.825 45.434 23.777 1.00 47.05 N HETATM 1092 C ALY B 12 27.280 44.171 25.843 1.00 74.44 C HETATM 1093 O ALY B 12 28.477 44.467 26.000 1.00 53.38 O
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