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the missing residues, non-classical amino-acids, and sequence gaps have been replaced by a "X" symbol.
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XQLVLAAKYIGAGISTIGLLGAGIGIAIVFAALINGVSRNPSIKDTVFPMAILGFALSEATGLFCLMVSFLLLFGX
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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 470 FME B 1 CG SD CE REMARK 500 FME B 1 O - C - N ANGL. DEV. = -12.6 DEGREES REMARK 500 FME B 1 -16.59 MODRES 4F4S FME B 1 MET N-FORMYLMETHIONINE LINK C FME B 1 N GLN B 2 1555 1555 1.42 HETATM 547 N FME B 1 37.669 15.376 64.393 1.00 51.24 N ANISOU 547 N FME B 1 8086 7476 3904 485 708 -603 N HETATM 548 CN FME B 1 36.867 14.320 64.198 1.00 49.45 C ANISOU 548 CN FME B 1 7393 7513 3882 683 685 -431 C HETATM 549 O1 FME B 1 36.777 13.784 63.096 1.00 48.07 O ANISOU 549 O1 FME B 1 6958 7385 3920 667 629 -356 O HETATM 550 CA FME B 1 38.153 16.175 63.270 1.00 50.84 C ANISOU 550 CA FME B 1 8323 7156 3835 345 721 -694 C HETATM 551 CB FME B 1 38.515 17.583 63.735 1.00 54.59 C ANISOU 551 CB FME B 1 9562 7263 3915 195 833 -868 C HETATM 552 C FME B 1 39.334 15.531 62.599 1.00 48.59 C ANISOU 552 C FME B 1 7699 7023 3738 -44 535 -709 C HETATM 553 O FME B 1 39.378 15.533 61.348 1.00 47.10 O ANISOU 553 O FME B 1 7428 6761 3707 -36 519 -686 O
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