Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKGLMISFEGPDGAGKTTVLEAVLPLLREKLSQDILTTREPGGVTISEEIRHIILDVKHTQMDKKTELLLYMAARRQHLVEKVLPALEEGKIVLMDRFIDSSVAYQGSGRGLDKSHIKWLNDYATDSHKPDLTLYFDVPSEVGLERIQKSVQREVNRLDLEQLDMHQRVRQGYLELADSEPNRIVTIDASQQLDEVIAETFSIILDRINQ
2CCJ Chain:A ((4-199))
-----FITFEGPEGSGKTTVINEVYHRLVKDY--DVIMTREPGGVPTGEEIRKIVLE--GNDMDIRTEAMLFAASRREHLVLKVIPALKEGKVVLCDRYIDSSLAYQGYARGIGVEEVRALNEFAINGLYPDLTIYLNVSAEVGRERIIKN-S---NRLDQEDLKFHEKVIEGYQEIIH----RFKSVNADQPLENVVEDTYQTIIKYLEK
General information:
TITO was launched using:
RESULT:
Template:
2CCJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -75193 for 1532 contacts (-49.1/contact) +
2D Compatibility (PS) -21236 + (NN) -15496 + (LL) 1132
1D Compatibility (HY) -19200 + (ID) 4700
Total energy: -134693.0 ( -87.92 by residue)
QMean score : 0.585
(partial model without unconserved sides chains):
PDB file :
Tito_2CCJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2CCJ-query.scw
PDB file :
Tito_Scwrl_2CCJ.pdb
: