Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEWSQIFHDITTKHDFKAMHDFLEKEYSTAIVY-PDRENIYQAFDLTPFENIKVVILGQDPYHGPNQAHGLAFSVQPNAK-FPPSLRNMYKELADDIG-CVRQTPHLQDWAREGVLLLNTVLTVRQGEANSHRDIGWETFTDEIIKAVSDYKEHVVFILWGKPAQQKIKLIDTSKHCIIKSVHPSPLSAYRGFFGSKPYSKANAYLESVGKSPINWCESEA
4WS2 Chain:A ((39-235))
------------------MGQFLRAEIAAGRRYLPAGSNVLRAFTF-PFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDW-----
General information:
TITO was launched using:
RESULT:
Template:
4WS2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -112636 for 1547 contacts (-72.8/contact) +
2D Compatibility (PS) -20880 + (NN) -9318 + (LL) 1976
1D Compatibility (HY) -18400 + (ID) 4350
Total energy: -163608.0 ( -105.76 by residue)
QMean score : 0.551
(partial model without unconserved sides chains):
PDB file :
Tito_4WS2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WS2-query.scw
PDB file :
Tito_Scwrl_4WS2.pdb
: