Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDSRQSAMVKLFLASYDDFKARLKRRLGSEDLACDVLHETYLRVDRLDDALEVKKPQAYLFRIALNIAADRREGDARLLTGEEVAELLQVADEGLDPERIVGGHAEIRRLLEALCELPARRRQILIASRLEETPHAEISRRFGISTRTVEKELKAALWFCAERLERKVIQRFGPGAGKPS
3HUG Chain:A ((18-90))
-------------------------------------------------------------------------------------------------TPDEVNAALDRLLIADALAQLSAEHRAVIQRSYYRGWSTAQIATDLGIAEGTVKSRLHYAVRALRLTLQELGVTR---------
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) -18083 for 457 contacts (-39.6/contact) +
2D Compatibility (PS) -8303 + (NN) -5911 + (LL) 7852
1D Compatibility (HY) -3200 + (ID) 800
Total energy: -28445.0 ( -62.24 by residue)
QMean score : 0.523
(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
: