Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKGLMISFEGPDGAGKTTVLEAVLPLLREKLSQDILTTREPGGVTISEEIRHIILDVKHTQMDKKTELLLYMAARRQHLVEKVLPALEEGKIVLMDRFIDSSVAYQGSGRGLDKSHIKWLNDYATDSHKPDLTLYFDVPSEVGLERIQKSVQREVNRLDLEQLDMHQRVRQGYLELADSEPNRIVTIDASQQLDEVIAETFSIILDRINQ
4HLC Chain:B ((4-199))
-----FITFEGPEGSGKTTVINEVYHRLVKDY--DVIMTREPGGVPTGEEIRKIVLE--GNDMDIRTEAMLFAASRREHLVLKVIPALKEGKVVLCDRYIDSSLAYQGYARGIGVEEVRALNEFAINGLYPDLTIYLNVSAEVGRERIIKN-S------DQEDLKFHEKVIEGYQEIIHNESQRFKSVNADQPLENVVEDTYQTIIKYLEK
General information:
TITO was launched using:
RESULT:
Template:
4HLC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -69479 for 1515 contacts (-45.9/contact) +
2D Compatibility (PS) -21417 + (NN) -15973 + (LL) 1472
1D Compatibility (HY) -18800 + (ID) 4600
Total energy: -128797.0 ( -85.01 by residue)
QMean score : 0.586
(partial model without unconserved sides chains):
PDB file :
Tito_4HLC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4HLC-query.scw
PDB file :
Tito_Scwrl_4HLC.pdb
: