Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKSTPHIKPMNDVEIAETVLLPGDPLRAKFIAETYLDDVEQFNTVRNMFGFTGTYKGKKVSVMGSGMGMPSIGIYSYELIHTFGCKKLIRVGSCGAMQENIDLYDVIIAQGASTDSNYVQQYQLPGHFAPIASYQLLEKAVETARDKGVRHHVGNVLSSDIFYNADTTASERWMRMGILGVEMESAALYMNAIYAGVEALGVFTVSDHLIHETSTTPEERERAFTDMIEIALSLV
4DAE Chain:A ((31-251))
-------------QIADTVLLPGDPLRAKFIAETYLENVECYNEVRGMYGFTGTYKGKKISVQGTGMGVPSISIYVNELIQSYDVQNLIRVGSCGAIRKDVKVRDVILAMTSSTDSQMNRVAFGSVDFAPCADFELLKNAYDAAKDKGVPVTVGSVFTADQFYNDDSQI-EKLAKYGVLGVEMETTALYTLAAKHGRKALSILTVSDHVLTGEETTAEERQTTFHDMIDVALHSV
General information:
TITO was launched using:
RESULT:
Template:
4DAE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -172898 for 1914 contacts (-90.3/contact) +
2D Compatibility (PS) -24014 + (NN) -6910 + (LL) 544
1D Compatibility (HY) -22800 + (ID) 6000
Total energy: -232078.0 ( -121.25 by residue)
QMean score : 0.449
(partial model without unconserved sides chains):
PDB file :
Tito_4DAE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4DAE-query.scw
PDB file :
Tito_Scwrl_4DAE.pdb
: