Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKGLMISFEGPDGAGKTTVLEAVLPLLREKLSQDILTTREPGGVTISEEIRHIILDVKHTQMDKKTELLLYMAARRQHLVEKVLPALEEGKIVLMDRFIDSSVAYQGSGRGLDKSHIKWLNDYATDSHKPDLTLYFDVPSEVGLERIQKSVQREVNRLDLEQLDMHQRVRQGYLELADSEPNRIVTIDASQQLDEVIAETFSIILDRINQ
2CCG Chain:B ((24-219))
-----FITFEGPEGSGKTTVINEVYHRLVKDY--DVIMTREPGGVPTGEEIRKIVLE--GNDMDIRTEAMLFAASRREHLVLKVIPALKEGKVVLCDRYIDSSLAYQGYARGIGVEEVRALNEFAINGLYPDLTIYLNVSAEVGRERIIKN-S-----LDQEDLKFHEKVIEGYQEIIHNESQRFKSVNADQPLENVVEDTYQTIIKYLEK
General information:
TITO was launched using:
RESULT:
Template:
2CCG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -65992 for 1548 contacts (-42.6/contact) +
2D Compatibility (PS) -21162 + (NN) -13996 + (LL) 1296
1D Compatibility (HY) -19200 + (ID) 4650
Total energy: -123704.0 ( -79.91 by residue)
QMean score : 0.547
(partial model without unconserved sides chains):
PDB file :
Tito_2CCG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2CCG-query.scw
PDB file :
Tito_Scwrl_2CCG.pdb
: