Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKGLMISFEGPDGAGKTTVLEAVLPLLREKLSQDILTTREPGGVTISEEIRHIILDVKHTQMDKKTELLLYMAARRQHLVEKVLPALEEGKIVLMDRFIDSSVAYQGSGRGLDKSHIKWLNDYATDSHKPDLTLYFDVPSEVGLERIQKSVQREVNRLDLEQLDMHQRVRQGYLELADSEPNRIVTIDASQQLDEVIAETFSIILDRINQ
4EAQ Chain:A ((28-223))
-----FITFEGPEGSGKTTVINEVYHRLVKDY--DVIMTREPGGVPTGEEIRKIVLE-----MDIRTEAMLFAASRREHLVLKVIPALKEGKVVLCDRYIDSSLAYQGYARGIGVEEVRALNEFAINGLYPDLTIYLNVSAEVGRERIIKN------RLDQEDLKFHEKVIEGYQEIIHNESQRFKSVNADQPLENVVEDTYQTIIKYLEK
General information:
TITO was launched using:
RESULT:
Template:
4EAQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -71286 for 1511 contacts (-47.2/contact) +
2D Compatibility (PS) -20900 + (NN) -14577 + (LL) 1532
1D Compatibility (HY) -19200 + (ID) 4700
Total energy: -129131.0 ( -85.46 by residue)
QMean score : 0.543
(partial model without unconserved sides chains):
PDB file :
Tito_4EAQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4EAQ-query.scw
PDB file :
Tito_Scwrl_4EAQ.pdb
: