Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKGLMISFEGPDGAGKTTVLEAVLPLLREKLSQDILTTREPGGVTISEEIRHIILDVKHTQMDKKTELLLYMAARRQHLVEKVLPALEEGKIVLMDRFIDSSVAYQGSGRGLDKSHIKWLNDYATDSHKPDLTLYFDVPSEVGLERIQKSVQREVNRLDLEQLDMHQRVRQGYLELADSEPNRIVTIDASQQLDEVIAETFSIILDRINQ
4QGH Chain:A ((4-199))
-----FITFEGPEGSGKTTVINEVYHRLVKDY--DVIMTREPGGVPTGEEIRKIVLE--GNDMDIRTEAMLFAASRREHLVLKVIPALKEGKVVLCDRYIDSSLAYQGYARGIGVEEVRALNEFAINGLYPDLTIYLNVSAEVGRERIIKN--------DQEDLKFHEKVIEGYQEIIHN--QRFKSVNADQPLENVVEDTYQTIIKYLEK
General information:
TITO was launched using:
RESULT:
Template:
4QGH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -67022 for 1488 contacts (-45.0/contact) +
2D Compatibility (PS) -20709 + (NN) -12821 + (LL) 1556
1D Compatibility (HY) -18800 + (ID) 4550
Total energy: -122346.0 ( -82.22 by residue)
QMean score : 0.590
(partial model without unconserved sides chains):
PDB file :
Tito_4QGH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4QGH-query.scw
PDB file :
Tito_Scwrl_4QGH.pdb
: