Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKRQKASPVGELFITIEDGCIMNI-----SYDKPR-NWELLDGNIIEKELFQELMIQLASYFEGERENFDLPMLLKGTDFQKKVWQALSEIPYGAVVSYKDIAISAGSPKAVQAVGQANRANPIPIIIPCHRCVKSNGELGGYNGTDVDKKQYLLALEKGLSLS
4BHB Chain:A ((5-154))
---RTIDSPIGPLTLAGHGSVLTNLRMLEQTYEPSRTHWTPDPGA------FSGAVDQLNAYFAGELTEFDVELDLRGTDFQQRVWKALLTIPYGETRSYGEIADQIGAPGAARAVGLANGHNPIAIIVPCHRVIGASGKLTGYGG-GINRKRALLELEK-----
General information:
TITO was launched using:
RESULT:
Template:
4BHB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -84322 for 1031 contacts (-81.8/contact) +
2D Compatibility (PS) -15718 + (NN) -10302 + (LL) 1480
1D Compatibility (HY) -10400 + (ID) 3250
Total energy: -122512.0 ( -118.83 by residue)
QMean score : 0.619
(partial model without unconserved sides chains):
PDB file :
Tito_4BHB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BHB-query.scw
PDB file :
Tito_Scwrl_4BHB.pdb
: