Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDAENALSQILNGTNRLEFYKLLSYISWLIYQVILSSIYVIKKVLQAKLKLEPIIILKKCKGHNDGSIALFANSVTITPGTLTIDVAKKRQIYLSIMCLIDESLESGVSEIENEVLKILCSIR
3CEJ Chain:A ((369-442))
---------------------------------------LVEKLLPRHLE----IIYEINQKHLDRIVALFPKDVDRLRRMSLIEEEGSKRINMAHLCIVGSHAVNGVAKIHSDIVKTKVFKD
General information:
TITO was launched using:
RESULT:
Template:
3CEJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -28632 for 396 contacts (-72.3/contact) +
2D Compatibility (PS) -7137 + (NN) 4341 + (LL) 3976
1D Compatibility (HY) -6400 + (ID) 900
Total energy: -34752.0 ( -87.76 by residue)
QMean score : 0.106
(partial model without unconserved sides chains):
PDB file :
Tito_3CEJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3CEJ-query.scw
PDB file :
Tito_Scwrl_3CEJ.pdb
: