Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSNKYKEQAQDILTAVGGVENIVDATYDTKCITIHMQHTIPSTANEVKQIVDVTSVAENDAQLVIKLNGNVDEVYQQLQRLIKNANVEESENTDNINSQDTSYTPQVKVTTPILVKAPIAGRRILLKEVRDSIFREKMVGEGLAIKAHEESKVIAPFNGLISMIVPTKHAVGIQSEDGVDIVIHIGVNTVDLEGKGFKCFVKQNDHVEAGQTLLQFDQQYIQQQGYNADVIVVISNSADLGKVELTMNEIITTE-DVIFKIFKN
3OUR Chain:B ((20-169))
---------------------------------------------------------------------------------------------------------------AIEIIAPLSGEIVNIEDVPDVVFAEKIVGDGIAIKPTGNK-MVAPVNGTIGKIFETNHAFSIESDDGVELFVHFGIDTVELKGEGFTRIAEEGQTVKAGDTVIEFDLALLEEKAKSTLTPVVISNMDEIKELNK-LSGSVVVGETPVLRVTK-
General information:
TITO was launched using:
RESULT:
Template:
3OUR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -132407 for 1258 contacts (-105.3/contact) +
2D Compatibility (PS) -15503 + (NN) 855 + (LL) 7936
1D Compatibility (HY) -13200 + (ID) 2450
Total energy: -154769.0 ( -123.03 by residue)
QMean score : 0.559
(partial model without unconserved sides chains):
PDB file :
Tito_3OUR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3OUR-query.scw
PDB file :
Tito_Scwrl_3OUR.pdb
: