Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEWSQIFHDITTKHDFKAMHDFLEKEYSTAIVYPDRENIYQAFDLTPFENIKVVILGQDPYHGPNQAHGLAFSVQPNAKFPPSLRNMYKELADDIGCVRQTPHLQDWAREGVLLLNTVLTVRQGEANSHRDIGWETFTDEIIKAVSDYKEHVVFILWGKPAQQKIKLIDTSKHCIIKSVHPSPLSAYRGFFGSKPYSKANAYLESVGKSPINWCESEA
3WDF Chain:A ((1-216))
MEWSQIFHDITTKHDFKAMHDFLEKEYSTAIVYPDRENIYQAFDLTPFENIKVVILGQDPYHGPNQAHGLAFSVQPNAKFPPSLRNMYKELADDIGCVRQTPHLQDWAREGVLLLNTVLTVRQGEANSHRDIGWETFTDEIIKAVSDYKEHVVFILWGKPAQQKIKLIDTSKHCIIKSVHPSPLSAYRGFFGSKPYSKANTYLESVGKSPINWCES--
General information:
TITO was launched using:
RESULT:
Template:
3WDF.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -121398 for 1762 contacts (-68.9/contact) +
2D Compatibility (PS) -23113 + (NN) -8839 + (LL) 248
1D Compatibility (HY) -30000 + (ID) 10750
Total energy: -193852.0 ( -110.02 by residue)
QMean score : 0.627
(partial model without unconserved sides chains):
PDB file :
Tito_3WDF.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3WDF-query.scw
PDB file :
Tito_Scwrl_3WDF.pdb
: