Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTGLFVTLEGPEGAGKSTNRDYLAERLRERGIEVQLTREPGGTPLAERIRELLLAPSDEPMAADTELLLMFAARAQHLAGVIRPALARGAVVLCDRFTDATYAYQGGGRGLPEARIAALESFVQGDLRPDLTLVFDLPVEIGLARAAARGRLDRFEQEDRRFFEAVRQTYLQRAAQAPERYQVLDAGLPLAEVQAGLDRLLPNLLERLNG
4EAQ Chain:A ((28-228))
----FITFEGPEGSGKTTVINEVYHRLV-KDYDVIMTREPGGVPTGEEIRKIVLE-----MDIRTEAMLFAASRREHLVLKVIPALKEGKVVLCDRYIDSSLAYQGYARGIGVEEVRALNEFAINGLYPDLTIYLNVSAEVGRERIIKN----RLDQEDLKFHEKVIEGYQEIIHNESQRFKSVNADQPLENVVEDTYQTIIKYLEK---
General information:
TITO was launched using:
RESULT:
Template:
4EAQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -72363 for 1548 contacts (-46.7/contact) +
2D Compatibility (PS) -22061 + (NN) -17212 + (LL) 40
1D Compatibility (HY) -13600 + (ID) 3750
Total energy: -128946.0 ( -83.30 by residue)
QMean score : 0.551
(partial model without unconserved sides chains):
PDB file :
Tito_4EAQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4EAQ-query.scw
PDB file :
Tito_Scwrl_4EAQ.pdb
: