Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEWSQIFHDITTKHDFKAMHDFLEKEYSTAIVYPDRENIYQAFDLTPFENIKVVILGQDPYHGPNQAHGLAFSVQPNAKFPPSLRNMYKELADDIGCVRQTPH--LQDWAREGVLLLNTVLTVRQGEANSHRDIGWETFTDEIIKAVSDYKEHVVFILWGKPAQQKIKLIDTSKHCIIKSVHPSPLSAYRGFFGSKPYSKANAYLESVGKSPINWCESEA
3FCL Chain:B ((21-222))
---------------FIKLMGFVAEERKHYTVYPPPHQVFTWTQMCDIKDVKVVILGQDPYHGPNQAHGLCFSVQRPVPPPPSLENIYKELSTDIEDFVHPGHGDLSGWAKQGVLLLNAVLTVRAHQANSHKERGWEQFTDAVVSWLNQNSNGLVFLLWGSYAQKKGSAIDRKRHHVLQTAHPSPLSVYRGFFGCRHFSKTNELLQKSGKKPIDWKE---
General information:
TITO was launched using:
RESULT:
Template:
3FCL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -100203 for 1616 contacts (-62.0/contact) +
2D Compatibility (PS) -21674 + (NN) -10451 + (LL) 1424
1D Compatibility (HY) -17600 + (ID) 4900
Total energy: -153404.0 ( -94.93 by residue)
QMean score : 0.634
(partial model without unconserved sides chains):
PDB file :
Tito_3FCL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3FCL-query.scw
PDB file :
Tito_Scwrl_3FCL.pdb
: