Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTGLFVTLEGPEGAGKSTNRDYLAERLRERGIEVQLTREPGGTPLAERIRELLLAPSDEPMAADTELLLMFAARAQHLAGVIRPALARGAVVLCDRFTDATYAYQGGGRGLPEARIAALESFVQGDLRPDLTLVFDLPVEIGLARAAARGRLDRFEQEDRRFFEAVRQTYLQRAAQAPERYQVLDAGLPLAEVQAGLDRLLPNLLERLNG
4QGA Chain:A ((4-204))
----FITFEGPEGSGKTTVINEVYHRLV-KDYDVIMTREPGGVPTGEEIRKIVLEGND--MDIRTEAMLFAASRREHLVLKVIPALKEGKVVLCDRYIDSSLAYQGYARGIGVEEVRALNEFAINGLYPDLTIYLNVSAEVGRERIIKN------DQEDLKFHEKVIEGYQEIIHNESQRFKSVNADQPLENVVEDTYQTIIKYLEK---
General information:
TITO was launched using:
RESULT:
Template:
4QGA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -73205 for 1543 contacts (-47.4/contact) +
2D Compatibility (PS) -22220 + (NN) -17995 + (LL) 516
1D Compatibility (HY) -13200 + (ID) 3750
Total energy: -129854.0 ( -84.16 by residue)
QMean score : 0.538
(partial model without unconserved sides chains):
PDB file :
Tito_4QGA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4QGA-query.scw
PDB file :
Tito_Scwrl_4QGA.pdb
: