Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKHSSWHDLIKRELPNHYYNKINTFMDAVYESGIVYPPRDKVFNAIQITPLENVKVVIIGQDPYHGPQQAQGLSFSVPDNLPAPPSLQNILKELAEDIGS-RSHHDLTSWAQQGVLLLNACLTVPEHQANGHAGLIWEPFTDAVIKVVNQKETPVVFILWGGYARKKKSLIDNPIHHIIESPHPSPLSAYRGFFGSRPFSRTNHFLEEEGINEIDWLN
3WDG Chain:A ((3-214))
-----WSQIFHDITTKHDFKAMHDFLEKEYSTAIVYPDRENIYQAFDLTPFENIKVVILGQDPYHGPNQAHGLAFSVQPNAKFPPSLRNMYKELADDIGCVRQTPHLQDWAREGVLLLNTVLTVRQGEANSHRDIGWETFTDEIIKAVSDYKEHVVFILWGKPAQQKIKLIDTSKHCIIKSVHPSPLSAYRGFFGSKPYSKANTYLESVGKSPINWCE
General information:
TITO was launched using:
RESULT:
Template:
3WDG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -119736 for 1712 contacts (-69.9/contact) +
2D Compatibility (PS) -22626 + (NN) -12815 + (LL) 260
1D Compatibility (HY) -22400 + (ID) 5400
Total energy: -182717.0 ( -106.73 by residue)
QMean score : 0.539
(partial model without unconserved sides chains):
PDB file :
Tito_3WDG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3WDG-query.scw
PDB file :
Tito_Scwrl_3WDG.pdb
: