Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPDSINNGHKESHDHRISNDAEMITDEKWQAIINNDAAYNNQFFYAVKSTGIFCKPSCKSRVPKKENVCIFPNTEQALRANFRPCKRCKPTNEKMPDSEWVDLITEYIDKNFTEKLTLESLADICHGSPYHMHRTFKKIKGITLVEYIQQVRVHAAKKYLIQ--TNKAIGDIAICVGIANAPYFITLFKKKTGQTPARFRQMSKMEETYNGNK
3MN2 Chain:A ((3-106))
---------------------------------------------------------------------------------------------------AVRQVEEYIEANWMRPITIEKLTALTGISSRGIFKAFQRSRGYSPMAFAKRVRLQHAHNLLSDGATPTTVTAAALSCGFSNLGHFARDYRDMFGEKPSETLQRA----------
General information:
TITO was launched using:
RESULT:
Template:
3MN2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -74750 for 700 contacts (-106.8/contact) +
2D Compatibility (PS) -10627 + (NN) -1588 + (LL) 5160
1D Compatibility (HY) -3600 + (ID) 1150
Total energy: -86555.0 ( -123.65 by residue)
QMean score : 0.635
(partial model without unconserved sides chains):
PDB file :
Tito_3MN2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3MN2-query.scw
PDB file :
Tito_Scwrl_3MN2.pdb
: