Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTGLFVTLEGPEGAGKSTNRDYLAERLRERGIEVQLTREPGGTPLAERIRELLLAPSDEPMAADTELLLMFAARAQHLAGVIRPALARGAVVLCDRFTDATYAYQGGGRGLPEARIAALESFVQGDLRPDLTLVFDLPVEIGLARAAARGRLDRFEQEDRRFFEAVRQTYLQRAAQAPERYQVLDAGLPLAEVQAGLDRLLPNLLERLNG
4EDH Chain:B ((4-213))
MTGLFVTLEGPEGAGKSTNRDYLAERLRERGIEVQLTREPGGTPLAERIRELLLAPSDEPMAADTELLLMFAARAQHLAGVIRPALARGAVVLCDRFTDATYAYQGGGRGLPEARIAALESFVQGDLRPDLTLVFDLPVEIGLARA----RLDRFEQEDRRFFEAVRQTYLQRAAQAPERYQVLDAGLPLAEVQAGLDRLLPNLLERLNG
General information:
TITO was launched using:
RESULT:
Template:
4EDH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -85691 for 1653 contacts (-51.8/contact) +
2D Compatibility (PS) -23577 + (NN) -18777 + (LL) 216
1D Compatibility (HY) -26400 + (ID) 10300
Total energy: -164529.0 ( -99.53 by residue)
QMean score : 0.596
(partial model without unconserved sides chains):
PDB file :
Tito_4EDH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4EDH-query.scw
PDB file :
Tito_Scwrl_4EDH.pdb
: