Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKGLMISFEGPDGAGKTTVLEAVLPLLREKLSQDILTTREPGGVTISEEIRHIILDVKHTQMDKKTELLLYMAARRQHLVEKVLPALEEGKIVLMDRFIDSSVAYQGSGRGLDKSHIKWLNDYATDSHKPDLTLYFDVPSEVGLERIQKSVQREVNRLDLEQLDMHQRVRQGYLELADSEPNRIVTIDASQQLDEVIAETFSIILDRINQ
4MQB Chain:A ((7-202))
-----FITFEGPEGSGKTTVINEVYHRLVKDY--DVIMTREPGGVPTGEEIRKIVLE--GNDMDIRTEAMLFAASRREHLVLKVIPALKEGKVVLCDRYIDSSLAYQGYARGIGVEEVRALNEFAINGLYPDLTIYLNVSAEVGRERIIKN-SRDQNRLDQEDLKFHEKVIEGYQEIIH--SQRFKSVNADQPLENVVEDTYQTIIKYLEK
General information:
TITO was launched using:
RESULT:
Template:
4MQB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -71866 for 1527 contacts (-47.1/contact) +
2D Compatibility (PS) -21767 + (NN) -15774 + (LL) 956
1D Compatibility (HY) -18800 + (ID) 4750
Total energy: -132001.0 ( -86.44 by residue)
QMean score : 0.569
(partial model without unconserved sides chains):
PDB file :
Tito_4MQB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4MQB-query.scw
PDB file :
Tito_Scwrl_4MQB.pdb
: