Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
--MEYFLSLLKI-------IVLLAVLA--GISYFLVKKNKQANRTRKSENDLIKLKDTLLISHQLRAVLLEADGEKVLAIISNNDIRTVSLKGKN-DQNEKLFRELLLKEETKENA-----------------------------------------
4HEC Chain:A ((21-180))
SMVRYFYDTEFIEDGHTIELISIGVVAEDGREYYAVSTEFDPERAGSWVRTHV--LPKLPPPASQLWRSRQQIRLDLEEFLRIDGTDSIELWAWVGAYDHVALCQLWGPMTALPPTVPRFTRELRQLWEDRGCPRMPPHDALVDARDQLRRFRLITS
General information:
TITO was launched using:
RESULT:
Template:
4HEC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -38649 for 640 contacts (-60.4/contact) +
2D Compatibility (PS) -10786 + (NN) -109 + (LL) 240
1D Compatibility (HY) -2800 + (ID) 600
Total energy: -52704.0 ( -82.35 by residue)
QMean score : 0.413
(partial model without unconserved sides chains):
PDB file :
Tito_4HEC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4HEC-query.scw
PDB file :
Tito_Scwrl_4HEC.pdb
: