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the missing residues, non-classical amino-acids, and sequence gaps have been replaced by a "X" symbol.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 500 ALY B 20 O - C - N ANGL. DEV. = -21.8 DEGREES REMARK 500 ALY B 20 -54.14 -140.89 REMARK 500 ALY B 20 33.63 MODRES 3UVY ALY B 20 LYS N(6)-ACETYLLYSINE LINK C ARG B 19 N ALY B 20 1555 1555 1.27 LINK C ALY B 20 N VAL B 21 1555 1555 1.32 HETATM 970 OH ALY B 20 72.557 24.216 11.364 1.00 31.38 O HETATM 971 CH ALY B 20 73.695 24.479 10.958 1.00 25.67 C HETATM 972 CH3 ALY B 20 74.426 23.596 10.007 1.00 30.04 C HETATM 973 NZ ALY B 20 74.341 25.593 11.301 1.00 31.17 N HETATM 974 CE ALY B 20 73.799 26.614 12.211 1.00 34.68 C HETATM 975 CD ALY B 20 74.232 28.035 11.859 1.00 33.89 C HETATM 976 CG ALY B 20 74.245 28.408 10.399 1.00 23.23 C HETATM 977 CB ALY B 20 74.193 29.912 10.131 1.00 17.47 C HETATM 978 CA ALY B 20 75.456 30.460 9.457 1.00 24.56 C HETATM 979 N ALY B 20 76.332 30.940 10.493 1.00 22.92 N HETATM 980 C ALY B 20 75.175 31.561 8.451 1.00 23.96 C HETATM 981 O ALY B 20 74.307 31.317 7.588 1.00 28.24 O
|
|