Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSAFITFEGPEGSGKTTVINEVYHRLVKDYDVIMTREPGGVPTGEEIRKIVLEGNDMDIRTEAMLFAASRREHLVLKVIPALKEGKVVLCDRYIDSSLAYQGYARGIGVEEVRALNEFAINGLYPDLTIYLNVSAEVGRERIIKNSRDQNRLDQEDLKFHEKVIEGYQEIIHNESQRFKSVNADQPLENVVEDTYQTIIKYLEKI
4QGH Chain:B ((2-205))
-SAFITFEGPEGSGKTTVINEVYHRLVKDYDVIMTREPGGVPTGEEIRKIVLEGNDMDIRTEAMLFAASRREHLVLKVIPALKEGKVVLCDRYIDSSLAYQGYARGIGVEEVRALNEFAINGLYPDLTIYLNVSAEVGRERIIK------RLDQEDLKFHEKVIEGYQEIIHNESQRFKSVNADQPLENVVEDTYQTIIKYLEKI
General information:
TITO was launched using:
RESULT:
Template:
4QGH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -91107 for 1595 contacts (-57.1/contact) +
2D Compatibility (PS) -21960 + (NN) -12643 + (LL) 164
1D Compatibility (HY) -29200 + (ID) 9900
Total energy: -164646.0 ( -103.23 by residue)
QMean score : 0.715
(partial model without unconserved sides chains):
PDB file :
Tito_4QGH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4QGH-query.scw
PDB file :
Tito_Scwrl_4QGH.pdb
: