Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTGLFVTLEGPEGAGKSTNRDYLAERLRERGIEVQLTREPGGTPLAERIRELLLAPSDEPMAADTELLLMFAARAQHLAGVIRPALARGAVVLCDRFTDATYAYQGGGRGLPEARIAALESFVQGDLRPDLTLVFDLPVEIGLARAAARGRLDRFEQEDRRFFEAVRQTYLQRAAQAPERYQVLDAGLPLAEVQAGLDRLLPNLLERLNG
4HEJ Chain:A ((4-203))
----FITFEGPEGSGKTTVINEVYHRLV-KDYDVIMTREPGGVPTGEEIRKIVLEGND--MDIRTEAMLFAASRREHLVLKVIPALKEGKVVLCDRYIDSSLAYQGYARGIGVEEVRALNEFAINGLYPDLTIYLNVSAEVGRERIIKN---NRLDQEDLKFHEKVIEGYQEIIHNESQRFKSVNADQPLENVVEDTYQTIIKYLE----
General information:
TITO was launched using:
RESULT:
Template:
4HEJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -81153 for 1559 contacts (-52.1/contact) +
2D Compatibility (PS) -22891 + (NN) -21188 + (LL) 460
1D Compatibility (HY) -13600 + (ID) 3800
Total energy: -142172.0 ( -91.19 by residue)
QMean score : 0.562
(partial model without unconserved sides chains):
PDB file :
Tito_4HEJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4HEJ-query.scw
PDB file :
Tito_Scwrl_4HEJ.pdb
: