Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTGLFVTLEGPEGAGKSTNRDYLAERLRERGIEVQLTREPGGTPLAERIRELLLAPSDEPMAADTELLLMFAARAQHLAGVIRPALARGAVVLCDRFTDATYAYQGGGRGLPEARIAALESFVQGDLRPDLTLVFDLPVEIGLARAAARGRLDRFEQEDRRFFEAVRQTYLQRAAQAPERYQVLDAGLPLAEVQAGLDRLLPNLLERLNG
4XWA Chain:A ((4-205))
----FITFEGPEGSGKTTVINEVYHRLV-KDYDVIMTREPGGVPTGEEIRKIVLEGND--MDIRTEAMLFAASRREHLVLKVIPALKEGKVVLCDRYIDSSLAYQGYARGIGVEEVRALNEFAINGLYPDLTIYLNVSAEVGRERIIKNSR---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) -73894 for 1568 contacts (-47.1/contact) +
2D Compatibility (PS) -22999 + (NN) -19441 + (LL) 280
1D Compatibility (HY) -14000 + (ID) 3800
Total energy: -133854.0 ( -85.37 by residue)
QMean score : 0.544
(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
: