Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSAFITFEGPEGSGKTTVINEVYHRLVKDYDVIMTREPGGVPTGEEIRKIVLEGNDMDIRTEAMLFAASRREHLVLKVIPALKEGKVVLCDRYIDSSLAYQGYARGIGVEEVRALNEFAINGLYPDLTIYLNVSAEVGRERIIKNSRDQNRLDQEDLKFHEKVIEGYQEIIHNESQRFKSVNADQPLENVVEDTYQTIIKYLEKI
2CCG Chain:B ((21-225))
MSAFITFEGPEGSGKTTVINEVYHRLVKDYDVIMTREPGGVPTGEEIRKIVLEGNDMDIRTEAMLFAASRREHLVLKVIPALKEGKVVLCDRYIDSSLAYQGYARGIGVEEVRALNEFAINGLYPDLTIYLNVSAEVGRERIIKNS-----LDQEDLKFHEKVIEGYQEIIHNESQRFKSVNADQPLENVVEDTYQTIIKYLEKI
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) -127680 for 1818 contacts (-70.2/contact) +
2D Compatibility (PS) -22032 + (NN) -12125 + (LL) 164
1D Compatibility (HY) -28800 + (ID) 9950
Total energy: -200423.0 ( -110.24 by residue)
QMean score : 0.661
(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
: