Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARVSGAAAAEAALMRALYDEHAAVLWRYALRLTGDAAQAEDVVQETLLRAWQHPEVIGDTARPARAWLFTVARNMIIDERRSARFRNVVGSTDQSGTPEQSTPDEVNAALDRLLIADALAQLSAEHRAVIQRSYYRGWSTAQIATDLGIAEGTVKSRLHYAVRALRLTLQELGVTR
3HUG Chain:C ((16-92))
----------------------------------------------------------------------------------------------------QSTPDEVNAALDRLLIADALAQLSAEHRAVIQRSYYRGWSTAQIATDLGIAEGTVKSRLHYAVRALRLTLQELGVTR
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) -31709 for 477 contacts (-66.5/contact) +
2D Compatibility (PS) -8502 + (NN) -4971 + (LL) 8776
1D Compatibility (HY) -9600 + (ID) 3850
Total energy: -49856.0 ( -104.52 by residue)
QMean score : 0.753
(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
: