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the missing residues, non-classical amino-acids, and sequence gaps have been replaced by a "X" symbol.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 8 C GLY B 9 N 0.228 MODRES 3UVW ALY B 8 LYS N(6)-ACETYLLYSINE LINK C GLY B 7 N ALY B 8 1555 1555 1.45 LINK C ALY B 8 N GLY B 9 1555 1555 1.56 HETATM 1156 OH ALY B 8 28.593 30.106 22.782 1.00 11.37 O ANISOU 1156 OH ALY B 8 1482 1541 1297 -6 -91 286 O HETATM 1157 CH ALY B 8 27.802 29.734 23.693 1.00 10.39 C ANISOU 1157 CH ALY B 8 1274 1213 1458 -40 295 -8 C HETATM 1158 CH3 ALY B 8 26.474 29.114 23.417 1.00 12.95 C ANISOU 1158 CH3 ALY B 8 1319 1325 2276 6 -230 -48 C HETATM 1159 NZ ALY B 8 28.103 29.946 24.995 1.00 11.06 N ANISOU 1159 NZ ALY B 8 1400 1255 1545 24 169 221 N HETATM 1160 CE ALY B 8 29.369 30.583 25.412 1.00 11.63 C ANISOU 1160 CE ALY B 8 1543 1689 1188 -42 7 -72 C HETATM 1161 CD ALY B 8 30.327 29.604 26.106 1.00 14.09 C ANISOU 1161 CD ALY B 8 1861 1896 1594 -362 -268 313 C HETATM 1162 CG ALY B 8 29.803 29.190 27.455 1.00 13.81 C ANISOU 1162 CG ALY B 8 1583 1777 1888 14 65 144 C HETATM 1163 CB ALY B 8 30.859 28.500 28.307 1.00 11.06 C ANISOU 1163 CB ALY B 8 1295 1707 1197 63 613 -18 C HETATM 1164 CA ALY B 8 30.122 27.997 29.526 1.00 12.48 C ANISOU 1164 CA ALY B 8 1930 1485 1325 -22 -188 -356 C HETATM 1165 N ALY B 8 29.784 29.093 30.429 1.00 12.60 N ANISOU 1165 N ALY B 8 1946 1753 1087 -34 442 319 N HETATM 1166 C ALY B 8 30.977 27.091 30.317 1.00 11.09 C ANISOU 1166 C ALY B 8 1593 1548 1072 -11 296 -277 C HETATM 1167 O ALY B 8 31.827 26.368 29.901 1.00 11.02 O ANISOU 1167 O ALY B 8 1988 1019 1179 68 241 166 O
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