Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTVLEQKLDHLVSQILLKAENQHELLFGTCQSDVKLTNTQEHILMLLSQE-QLTNSDLAKKLNISQAAVTKAVKSLISQDMLKANKDSKDARITYFELSELAKPIADEHTHHHDNTLGVYGRLVNHFSKDEKVVLERFLDLFSRELEG
3S2W Chain:A ((22-156))
---------EFIGKAISYLYRYGQIYIGKKIEPYGIGSGQFPFLMRLYREDGINQESLSDYLKIDKGTTARAIQKLVDEGYVFRQRDE---RSYRVFLTEKGKKLEPDMKKIAS---EWGEILFSSFDDRQRREITNSLEIMFENGLK
General information:
TITO was launched using:
RESULT:
Template:
3S2W.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -51609 for 825 contacts (-62.6/contact) +
2D Compatibility (PS) -13695 + (NN) -6753 + (LL) 1296
1D Compatibility (HY) -7600 + (ID) 950
Total energy: -79311.0 ( -96.13 by residue)
QMean score : 0.520
(partial model without unconserved sides chains):
PDB file :
Tito_3S2W.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3S2W-query.scw
PDB file :
Tito_Scwrl_3S2W.pdb
: