Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPDSINNGHKESHDHRISNDAEMITDEKWQAIINNDAAYNNQFFYAVKSTGIFCKPSCKSRVPKKENVCIFPNTEQALRANFRPCKRCKPTNEKMPDSEWVDLITEYIDKNFTEKLTLESLADICHGSPYHMHRTFKKIKGITLVEYIQQVRVHAAKKYLIQTNKAIGDIAICVGIANAPYFITLFKKKTGQTPARFRQMSKMEETYNGNK
3OIO Chain:A ((5-110))
------------------------------------------------------------------------------------------------SQPKLTEAVSLMEANIEEPLSTDDIAYYVGVSRRQLERLFKQYLGTVPSKYYLELRLNRARQLLQQTSKSIVQIGLACGFSSGPHFSSTYRNHFNITPREERAQRA---------
General information:
TITO was launched using:
RESULT:
Template:
3OIO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -69941 for 754 contacts (-92.8/contact) +
2D Compatibility (PS) -11225 + (NN) -2892 + (LL) 5096
1D Compatibility (HY) -3600 + (ID) 1200
Total energy: -83762.0 ( -111.09 by residue)
QMean score : 0.586
(partial model without unconserved sides chains):
PDB file :
Tito_3OIO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3OIO-query.scw
PDB file :
Tito_Scwrl_3OIO.pdb
: