Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEWSQIFHDITTKHDFKAMHDFLEKEYSTAIVY-PDRENIYQAFDLTPFENIKVVILGQDPYHGPNQAHGLAFSVQPNAK-FPPSLRNMYKELADDIG-CVRQTPHLQDWAREGVLLLNTVLTVRQGEANSHRDIGWETFTDEIIKAVSDYKEHVVFILWGKPAQQKIKLIDTSKHCIIKSVHPSPLSAYRGFFGSKPYSKANAYLESVGKSPINWCESEA
4WS6 Chain:A ((39-235))
------------------MGQFLRAEIAAGRRYLPAGSNVLRAFTF-PFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDW-----
General information:
TITO was launched using:
RESULT:
Template:
4WS6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -112210 for 1550 contacts (-72.4/contact) +
2D Compatibility (PS) -20880 + (NN) -9318 + (LL) 1976
1D Compatibility (HY) -18400 + (ID) 4350
Total energy: -163182.0 ( -105.28 by residue)
QMean score : 0.566
(partial model without unconserved sides chains):
PDB file :
Tito_4WS6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WS6-query.scw
PDB file :
Tito_Scwrl_4WS6.pdb
: