Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEWSQIFHDITTKHDFKAMHDFLEKEYSTAIVY-PDRENIYQAFDLTPFENIKVVILGQDPYHGPNQAHGLAFSVQPNAK-FPPSLRNMYKELADDIG-CVRQTPHLQDWAREGVLLLNTVLTVRQGEANSHRDIGWETFTDEIIKAVSDYKEHVVFILWGKPAQQKIKLIDTSKHCIIKSVHPSPLSAYRGFFGSKPYSKANAYLESVGKSPINWCESEA
4WRU Chain:A ((39-235))
------------------MGQFLRAEIAAGRRYLPAGSNVLRAFTF-PFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDW-----
General information:
TITO was launched using:
RESULT:
Template:
4WRU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -106800 for 1536 contacts (-69.5/contact) +
2D Compatibility (PS) -20825 + (NN) -10206 + (LL) 1976
1D Compatibility (HY) -18400 + (ID) 4350
Total energy: -158605.0 ( -103.26 by residue)
QMean score : 0.576
(partial model without unconserved sides chains):
PDB file :
Tito_4WRU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WRU-query.scw
PDB file :
Tito_Scwrl_4WRU.pdb
: