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the missing residues, non-classical amino-acids, and sequence gaps have been replaced by a "X" symbol.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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MODRES 3QZS ALY D 16 LYS N(6)-ACETYLLYSINE LINK C ALA D 15 N ALY D 16 1555 1555 1.33 LINK C ALY D 16 N ARG D 17 1555 1555 1.32 HETATM 1933 OH ALY D 16 -12.059 -2.498 34.748 1.00 15.62 O ANISOU 1933 OH ALY D 16 2392 2186 1356 -27 354 337 O HETATM 1934 CH ALY D 16 -10.870 -2.688 34.564 1.00 17.75 C ANISOU 1934 CH ALY D 16 2543 2583 1619 13 516 453 C HETATM 1935 CH3 ALY D 16 -10.198 -2.454 33.240 1.00 15.33 C ANISOU 1935 CH3 ALY D 16 2419 2170 1234 154 738 539 C HETATM 1936 NZ ALY D 16 -10.063 -3.042 35.538 1.00 18.91 N ANISOU 1936 NZ ALY D 16 2376 2983 1826 -52 523 537 N HETATM 1937 CE ALY D 16 -10.621 -3.216 36.863 1.00 21.26 C ANISOU 1937 CE ALY D 16 2551 3365 2161 -169 346 465 C HETATM 1938 CD ALY D 16 -10.689 -4.576 37.465 1.00 20.98 C ANISOU 1938 CD ALY D 16 2459 3398 2116 -6 298 516 C HETATM 1939 CG ALY D 16 -11.274 -4.445 38.900 1.00 20.97 C ANISOU 1939 CG ALY D 16 2370 3457 2141 -152 154 442 C HETATM 1940 CB ALY D 16 -10.202 -4.447 39.986 1.00 20.84 C ANISOU 1940 CB ALY D 16 2077 3747 2096 -235 111 535 C HETATM 1941 CA ALY D 16 -10.753 -4.096 41.371 1.00 20.36 C ANISOU 1941 CA ALY D 16 2045 3696 1996 -389 -19 447 C HETATM 1942 N ALY D 16 -9.600 -3.962 42.283 1.00 24.99 N ANISOU 1942 N ALY D 16 2387 4597 2512 -510 -127 533 N HETATM 1943 C ALY D 16 -11.813 -5.065 41.901 1.00 17.65 C ANISOU 1943 C ALY D 16 1842 3200 1664 -228 -18 418 C HETATM 1944 O ALY D 16 -11.523 -6.228 42.213 1.00 18.40 O ANISOU 1944 O ALY D 16 1893 3371 1726 -38 8 511 O
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