Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRRPLVAGNWKMHGTHSSVAELIKGLRQLALPSGVDVAVMPPCLFISQVIQGLAGKAIDVGAQNSAVEPMQGALTGETAPSQLADVGCSMVLVGHSERRLILGESDEVVSRKFAAAQSCGLVPVLCVGETRAEREAGKTLEVVARQLGSVIDELGVGAFARAVVAYEPVWAIGTGLTASPAQAQEVHAAIRAQLAAENAEVAKGVRLLYGGSVKAASAAELFGMPDIDGGLVGGASLNADEFGAICRAAGS
3KXQ Chain:A ((26-273))
-IRPFIAGNWKMNGTGESLGELRAIAAGIS--RLFEALICVPATLLSRAFDILGGENILLGGQNCH-FDDYGPYTGDISAFMLKEAGASHVIIGHSERRTVYQESDAIVRAKVQAAWRAGLVALICVGETLEERKSNKVLDVLTRQLEGSLPDGA--TAENIIIAYEPVW--------TSADVAEVHAFIHHKMHSRFGDEGAKIRLLYGGSVKPSNAFELLSTAHVNGALIGGASLKAIDFLTICDVYR-
General information:
TITO was launched using:
RESULT:
Template:
3KXQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -131107 for 1992 contacts (-65.8/contact) +
2D Compatibility (PS) -26092 + (NN) -12386 + (LL) 856
1D Compatibility (HY) -16800 + (ID) 4600
Total energy: -190129.0 ( -95.45 by residue)
QMean score : 0.566
(partial model without unconserved sides chains):
PDB file :
Tito_3KXQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KXQ-query.scw
PDB file :
Tito_Scwrl_3KXQ.pdb
: