Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDSRQSAMVKLFLASYDDFKARLKRRLGSEDLACDVLHETYLRVDRLDDALEVKKPQAYLFRIALNIAADRREGDARLLTGEEVAELLQVADEGLDPERIVGGHAEIRRLLEALCELPARRRQILIASRLEETPHAEISRRFGISTRTVEKELKAALWFCAERLERKVIQRFGPGAGKPS
3HUG Chain:A ((13-92))
--------------------------------------------------------------------------------------------DPEQSTPDEVNAALDRLLIADALAQLSAEHRAVIQRSYYRGWSTAQIATDLGIAEGTVKSRLHYAVRALRLTLQELGVTR---------
General information:
TITO was launched using:
RESULT:
Template:
3HUG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -15848 for 495 contacts (-32.0/contact) +
2D Compatibility (PS) -8958 + (NN) -5613 + (LL) 7508
1D Compatibility (HY) -2800 + (ID) 900
Total energy: -26611.0 ( -53.76 by residue)
QMean score : 0.554
(partial model without unconserved sides chains):
PDB file :
Tito_3HUG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HUG-query.scw
PDB file :
Tito_Scwrl_3HUG.pdb
: