Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKSTPHIKPMNDVEIAETVLLPGDPLRAKFIAETYLDDVEQFNTVRNMFGFTGTYKGKKVSVMGSGMGMPSIGIYSYELIHTFGCKKLIRVGSCGAMQENIDLYDVIIAQGASTDSNYVQQYQLPGHFAPIASYQLLEKAVETARDKGVRHHVGNVLSSDIFYNADTTASERWMRMGILGVEMESAALYMNAIYAGVEALGVFTVSDHLIHETSTTPEERERAFTDMIEIALSLV
4DAO Chain:B ((31-251))
-------------QIADTVLLPGDPLRAKFIAETYLENVECYNEVRGMYGFTGTYKGKKISVQGTGMGVPSISIYVNELIQSYDVQNLIRVGSCGAIRKDVKVRDVILAMTSSTDSQMNRVAFGSVDFAPCADFELLKNAYDAAKDKGVPVTVGSVFTADQFYNDDSQI-EKLAKYGVLGVEMETTALYTLAAKHGRKALSILTVSDHVLTGEETTAEERQTTFHDMIDVALHSV
General information:
TITO was launched using:
RESULT:
Template:
4DAO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -173340 for 1894 contacts (-91.5/contact) +
2D Compatibility (PS) -23974 + (NN) -5816 + (LL) 544
1D Compatibility (HY) -22800 + (ID) 6000
Total energy: -231386.0 ( -122.17 by residue)
QMean score : 0.450
(partial model without unconserved sides chains):
PDB file :
Tito_4DAO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4DAO-query.scw
PDB file :
Tito_Scwrl_4DAO.pdb
: