Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MICSQ---------TLFRYPTHMIFLMKHNYMIDCIILLNNLLQTCHFTLKIYIISDDILQVIYK---------
3KDE Chain:C ((1-76))
MKYCKFCCKAVTGVKLIHVPKCAIKRKLWEQSLGCSLGENSQICDTHFNDSQWKAAKGQTFKRRRLNADAVPSK
General information:
TITO was launched using:
RESULT:
Template:
3KDE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -30147 for 268 contacts (-112.5/contact) +
2D Compatibility (PS) -5785 + (NN) 73 + (LL) 0
1D Compatibility (HY) 3600 + (ID) 400
Total energy: -32659.0 ( -121.86 by residue)
QMean score : -0.044
(partial model without unconserved sides chains):
PDB file :
Tito_3KDE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KDE-query.scw
PDB file :
Tito_Scwrl_3KDE.pdb
: