Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKGLMISFEGPDGAGKTTVLEAVLPLLREKLSQDILTTREPGGVTISEEIRHIILDVKHTQMDKKTELLLYMAARRQHLVEKVLPALEEGKIVLMDRFIDSSVAYQGSGRGLDKSHIKWLNDYATDSHKPDLTLYFDVPSEVGLERIQKSVQREVNRLDLEQLDMHQRVRQGYLELADSEPNRIVTIDASQQLDEVIAETFSIILDRINQ
4HEJ Chain:A ((4-199))
-----FITFEGPEGSGKTTVINEVYHRLVKDY--DVIMTREPGGVPTGEEIRKIVLE--GNDMDIRTEAMLFAASRREHLVLKVIPALKEGKVVLCDRYIDSSLAYQGYARGIGVEEVRALNEFAINGLYPDLTIYLNVSAEVGRERIIKN-----NRLDQEDLKFHEKVIEGYQEIIHNESQRFKSVNADQPLENVVEDTYQTIIKYLE-
General information:
TITO was launched using:
RESULT:
Template:
4HEJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -72148 for 1527 contacts (-47.2/contact) +
2D Compatibility (PS) -21674 + (NN) -16209 + (LL) 1320
1D Compatibility (HY) -19200 + (ID) 4750
Total energy: -132661.0 ( -86.88 by residue)
QMean score : 0.581
(partial model without unconserved sides chains):
PDB file :
Tito_4HEJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4HEJ-query.scw
PDB file :
Tito_Scwrl_4HEJ.pdb
: