Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGSSHHHHHHSSGLVPRGSHMKELSFGARAELPRIHPVASKLLRLMQKKETNLCLSADVSLARELLQLADALGPSICMLKTHVDILNDFTLDVMKELITLAKCHEFLIFEDRKFADIGNTVKKQYEGGIFKIASWADLVNAHVVPGSGVVKGLQEVGLPLHRGCLLIAEMSSTGSLATGDYTRAAVRMAEEHSEFVVGFISGSRVSMKPEFLHLTPGVQLEAGGDNLGQQYNSPQEVIGKRGSDIIIVGRGIISAADRLEAAEMYRKAAWEAYLSRLGV
3BVJ Chain:B ((55-311))
---------------------KELSFGARAELPRIHPVASKLLRLMQKKETNLCLSADVSLARELLQLADALGPSICMLKTHVDILNDFTLDVMKELITLAKCHEFLIFEDRKFADIGNTVKKQYEGGIFKIASWADLVNAHVVPGSGVVKGLQEVGLPLHRGCLLIAEMSSTGSLATGDYTRAAVRMAEEHSEFVVGFISGSRVSMKPEFLHLTPGVQLEAGGDNLGQQYNSPQEVIGKRGSDIIIVGRGIISAADRLEAAEMYRKAAWEAYLSRLG-
General information:
TITO was launched using:
RESULT:
Template:
3BVJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -207236 for 2265 contacts (-91.5/contact) +
2D Compatibility (PS) -27467 + (NN) -11754 + (LL) 588
1D Compatibility (HY) -37200 + (ID) 12850
Total energy: -295919.0 ( -130.65 by residue)
QMean score : 0.504
(partial model without unconserved sides chains):
PDB file :
Tito_3BVJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BVJ-query.scw
PDB file :
Tito_Scwrl_3BVJ.pdb
: