Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKGLMISFEGPDGAGKTTVLEAVLPLLREKLSQDILTTREPGGVTISEEIRHIILDVKHTQMDKKTELLLYMAARRQHLVEKVLPALEEGKIVLMDRFIDSSVAYQGSGRGLDKSHIKWLNDYATDSHKPDLTLYFDVPSEVGLERIQKSVQREVNRLDLEQLDMHQRVRQGYLELADSEPNRIVTIDASQQLDEVIAETFSIILDRINQ
4QGA Chain:A ((4-199))
-----FITFEGPEGSGKTTVINEVYHRLVKDY--DVIMTREPGGVPTGEEIRKIVLE--GNDMDIRTEAMLFAASRREHLVLKVIPALKEGKVVLCDRYIDSSLAYQGYARGIGVEEVRALNEFAINGLYPDLTIYLNVSAEVGRERIIKN--------DQEDLKFHEKVIEGYQEIIHNESQRFKSVNADQPLENVVEDTYQTIIKYLEK
General information:
TITO was launched using:
RESULT:
Template:
4QGA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -68137 for 1504 contacts (-45.3/contact) +
2D Compatibility (PS) -20902 + (NN) -13306 + (LL) 1592
1D Compatibility (HY) -18800 + (ID) 4600
Total energy: -124153.0 ( -82.55 by residue)
QMean score : 0.548
(partial model without unconserved sides chains):
PDB file :
Tito_4QGA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4QGA-query.scw
PDB file :
Tito_Scwrl_4QGA.pdb
: