Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTGLFVTLEGPEGAGKSTNRDYLAERLRERGIEVQLTREPGGTPLAERIRELLLAPSDEPMAADTELLLMFAARAQHLAGVIRPALARGAVVLCDRFTDATYAYQGGGRGLPEARIAALESFVQGDLRPDLTLVFDLPVEIGLARAAARGRLDRFEQEDRRFFEAVRQTYLQRAAQAPERYQVLDAGLPLAEVQAGLDRLLPNLLERLNG
4XWA Chain:B ((4-205))
----FITFEGPEGSGKTTVINEVYHRLV-KDYDVIMTREPGGVPTGEEIRKIVLEGND--MDIRTEAMLFAASRREHLVLKVIPALKEGKVVLCDRYIDSSLAYQGYARGIGVEEVRALNEFAINGLYPDLTIYLNVSAEVGRERIIKN-----LDQEDLKFHEKVIEGYQEIIHNESQRFKSVNADQPLENVVEDTYQTIIKYLEKI--
General information:
TITO was launched using:
RESULT:
Template:
4XWA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -82404 for 1569 contacts (-52.5/contact) +
2D Compatibility (PS) -22932 + (NN) -20506 + (LL) 208
1D Compatibility (HY) -14000 + (ID) 3750
Total energy: -143384.0 ( -91.39 by residue)
QMean score : 0.555
(partial model without unconserved sides chains):
PDB file :
Tito_4XWA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4XWA-query.scw
PDB file :
Tito_Scwrl_4XWA.pdb
: