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the missing residues, non-classical amino-acids, and sequence gaps have been replaced by a "X" symbol.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 5 C GLY B 6 N 0.234 MODRES 3UVW ALY B 5 LYS N(6)-ACETYLLYSINE LINK C GLY B 4 N ALY B 5 1555 1555 1.43 LINK C ALY B 5 N GLY B 6 1555 1555 1.57 HETATM 1136 OH ALY B 5 29.414 35.347 20.167 1.00 8.38 O ANISOU 1136 OH ALY B 5 1161 982 1039 -50 91 -202 O HETATM 1137 CH ALY B 5 29.266 34.157 19.892 1.00 7.91 C ANISOU 1137 CH ALY B 5 1036 817 1151 9 127 139 C HETATM 1138 CH3 ALY B 5 30.221 33.394 18.994 1.00 8.69 C ANISOU 1138 CH3 ALY B 5 1199 960 1139 188 282 -262 C HETATM 1139 NZ ALY B 5 28.256 33.452 20.425 1.00 8.57 N ANISOU 1139 NZ ALY B 5 994 1595 665 -8 59 74 N HETATM 1140 CE ALY B 5 27.197 33.995 21.295 1.00 9.68 C ANISOU 1140 CE ALY B 5 1254 1257 1164 -57 376 71 C HETATM 1141 CD ALY B 5 27.374 33.418 22.686 1.00 9.95 C ANISOU 1141 CD ALY B 5 1640 1326 815 -67 663 69 C HETATM 1142 CG ALY B 5 26.290 33.922 23.609 1.00 10.41 C ANISOU 1142 CG ALY B 5 1271 1493 1189 147 -11 79 C HETATM 1143 CB ALY B 5 26.489 33.317 24.999 1.00 9.82 C ANISOU 1143 CB ALY B 5 1433 1254 1041 305 15 -99 C HETATM 1144 CA ALY B 5 25.461 33.884 25.939 1.00 11.43 C ANISOU 1144 CA ALY B 5 1832 1511 999 -98 -101 286 C HETATM 1145 N ALY B 5 25.743 35.302 26.222 1.00 12.09 N ANISOU 1145 N ALY B 5 1769 1619 1203 419 198 -109 N HETATM 1146 C ALY B 5 25.363 33.111 27.209 1.00 11.53 C ANISOU 1146 C ALY B 5 1574 1347 1459 125 237 -44 C HETATM 1147 O ALY B 5 25.089 31.900 27.278 1.00 13.16 O ANISOU 1147 O ALY B 5 1986 1493 1518 126 265 338 O
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