Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKSTPHIKPMNDVEIAETVLLPGDPLRAKFIAETYLDDVEQFNTVRNMFGFTGTYKGKKVSVMGSGMGMPSIGIYSYELIHTFGCKKLIRVGSCGAMQENIDLYDVIIAQGASTDSNYVQQYQLPGHFAPIASYQLLEKAVETARDKGVRHHVGNVLSSDIFYNADTTASERWMRMGILGVEMESAALYMNAIYAGVEALGVFTVSDHLIHETSTTPEERERAFTDMIEIALSLV
4DAN Chain:A ((31-250))
-------------QIADTVLLPGDPLRAKFIAETYLENVECYNEVRGMYGFTGTYKGKKISVQGTGMGVPSISIYVNELIQSYDVQNLIRVGSCGAIRKDVKVRDVILAMTSSTDSQMNRVAFGSVDFAPCADFELLKNAYDAAKDKGVPVTVGSVFTADQFYNDDSQI-EKLAKYGVLGVEMETTALYTLAAKHGRKALSILTVSDHVLTGEETTAEERQTTFHDMIDVALHS-
General information:
TITO was launched using:
RESULT:
Template:
4DAN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -171182 for 1891 contacts (-90.5/contact) +
2D Compatibility (PS) -23918 + (NN) -5851 + (LL) 736
1D Compatibility (HY) -22400 + (ID) 5950
Total energy: -228565.0 ( -120.87 by residue)
QMean score : 0.457
(partial model without unconserved sides chains):
PDB file :
Tito_4DAN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4DAN-query.scw
PDB file :
Tito_Scwrl_4DAN.pdb
: