Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPDSINNGHKESHDHRISNDAEMITDEKWQAIINNDAAYNNQFFYAVKSTGIFCKPSCKSRVPKKENVCIFPNTEQALRANFRPCKRCKPTNEKMPDSEWVDLITEYIDKNFTEKLTLESLADICHGSPYHMHRTFKKIKGITLVEYIQQVRVHAAKKYLIQTNKAIGDIAICVGIANAPYFITLFKKKTGQTPARFRQMSKMEETYNGNK
3OOU Chain:A ((10-108))
-------------------------------------------------------------------------------------------------------VLSYITEHFSEGMSLKTLGNDFHINAVYLGQLFQKEMGEHFTDYLNRYRVNYAKEELLQTKDNLTIIAGKSGYTDMAYFYRQFKKHTGETPNRYRKIHQ---------
General information:
TITO was launched using:
RESULT:
Template:
3OOU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -53227 for 672 contacts (-79.2/contact) +
2D Compatibility (PS) -10410 + (NN) -2116 + (LL) 5544
1D Compatibility (HY) -7200 + (ID) 1600
Total energy: -69009.0 ( -102.69 by residue)
QMean score : 0.536
(partial model without unconserved sides chains):
PDB file :
Tito_3OOU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3OOU-query.scw
PDB file :
Tito_Scwrl_3OOU.pdb
: