Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGSSHHHHHHSSGLVPRGSHMKELSFGARAELPRIHPVASKLLRLMQKKETNLCLSADVSLARELLQLADALGPSICMLKTHVDILNDFTLDVMKELITLAKCHEFLIFEDRKFADIGNTVKKQYEGGIFKIASWADLVNAHVVPGSGVVKGLQEVGLPLHRGCLLIAEMSSTGSLATGDYTRAAVRMAEEHSEFVVGFISGSRVSMKPEFLHLTPGVQLEAGGDNLGQQYNSPQEVIGKRGSDIIIVGRGIISAADRLEAAEMYRKAAWEAYLSRLGV
3EX2 Chain:B ((4-259))
----------------------ELSFGARAELPRIHPVASKLLRLMQKKETNLCLSADVSLARELLQLADALGPSICMLKTHVDILNDFTLDVMKELITLAKCHEFLIFEDRKFADIGNTVKKQYEGGIFKIASWADLVNAHVVPGSGVVKGLQEVGLPLHRGCLLIAEMSSTGSLATGDYTRAAVRMAEEHSEFVVGFISGSRVSMKPEFLHLTPGVQLEAGGDNLGQQYNSPQEVIGKRGSDIIIVGRGIISAADRLEAAEMYRKAAWEAYLSRLG-
General information:
TITO was launched using:
RESULT:
Template:
3EX2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -206668 for 2240 contacts (-92.3/contact) +
2D Compatibility (PS) -27573 + (NN) -11341 + (LL) 652
1D Compatibility (HY) -37200 + (ID) 12800
Total energy: -294930.0 ( -131.67 by residue)
QMean score : 0.508
(partial model without unconserved sides chains):
PDB file :
Tito_3EX2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3EX2-query.scw
PDB file :
Tito_Scwrl_3EX2.pdb
: