Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRLSAAVVAIDGPAGTGKSSVSRRLARELGARFLDTGAMYRIVTLAVLRAGADPSDIAAVETIASTVQMSLGYDPDGDSCYLAGEDVSVEIRGDAVTRAVSAVSSVPAVRTRLVELQRTMAEGPGSIVVEGRDIGTVVFPDAPVKIFLTASAETRARRRNAQNVAAGLADDYDGVLADVRRRDHLDSTRAVSPLQAAGDAVIVDTSDMTEAEVVAHLLELVTRRSEAVR
3R8C Chain:A ((1-218))
-------VVAVDGPSGTGKSSVAKELARQLGASYLDTGAMYRIVTLWVLRAGVDLTDPAAIAAATDQVPMSVSSDPDAQTALLAGEDVSVPIRGNEVTGAVSAVSAVPAVRERLVRQQRELAESSGAVVVEGRDIGTVVLPDADVKIYLTASAQARAQRRN---------------LADVQRRDHL-------PLRPAEDALEVDTSDMTQEQVVAHLLDLVRTR-----
General information:
TITO was launched using:
RESULT:
Template:
3R8C.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -135009 for 1541 contacts (-87.6/contact) +
2D Compatibility (PS) -21614 + (NN) -15567 + (LL) 2280
1D Compatibility (HY) -20000 + (ID) 6750
Total energy: -196660.0 ( -127.62 by residue)
QMean score : 0.630
(partial model without unconserved sides chains):
PDB file :
Tito_3R8C.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3R8C-query.scw
PDB file :
Tito_Scwrl_3R8C.pdb
: