Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKSTPHIKPMNDVEIAETVLLPGDPLRAKFIAETYLDDVEQFNTVRNMFGFTGTYKGKKVSVMGSGMGMPSIGIYSYELIHTFGCKKLIRVGSCGAMQENIDLYDVIIAQGASTDSNYVQQYQLPGHFAPIASYQLLEKAVETARDKGVRHHVGNVLSSDIFYNADTTASERWMRMGILGVEMESAALYMNAIYAGVEALGVFTVSDHLIHETSTTPEERERAFTDMIEIALSLV
4DAB Chain:A ((31-251))
-------------QIADTVLLPGDPLRAKFIAETYLENVECYNEVRGMYGFTGTYKGKKISVQGTGMGVPSISIYVNELIQSYDVQNLIRVGSCGAIRKDVKVRDVILAMTSSTDSQMNRVAFGSVDFAPCADFELLKNAYDAAKDKGVPVTVGSVFTADQFYNDDSQI-EKLAKYGVLGVEMETTALYTLAAKHGRKALSILTVSDHVLTGEETTAEERQTTFHDMIDVALHSV
General information:
TITO was launched using:
RESULT:
Template:
4DAB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -178360 for 1919 contacts (-92.9/contact) +
2D Compatibility (PS) -24006 + (NN) -6013 + (LL) 544
1D Compatibility (HY) -22800 + (ID) 6000
Total energy: -236635.0 ( -123.31 by residue)
QMean score : 0.462
(partial model without unconserved sides chains):
PDB file :
Tito_4DAB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4DAB-query.scw
PDB file :
Tito_Scwrl_4DAB.pdb
: