Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTLYHYYFKTPKSFPLEYLHLCANESHLLRLDFDATNFSHHTPMNTPLKLSVQALERYFLGQLFEFDAPLDLIGTFFQKQVWSALMTIPYGKTKSYDEIAKLINNPKSCRAIGNANRNNPISLIVPCHRVVRKNGALGGYNGGIEVKKWLLEFESKILNERAKNFLIS
4BHB Chain:A ((38-153))
--------------------------------------THWTPDPGAFSGAVDQLNAYFAGELTEFDVELDLRGTDFQQRVWKALLTIPYGETRSYGEIADQIGAPGAARAVGLANGHNPIAIIVPCHRVIGASGKLTGYGGGINRKRALLELEKSRAPADLTLFD--
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) -50463 for 756 contacts (-66.8/contact) +
2D Compatibility (PS) -12458 + (NN) -3548 + (LL) 2792
1D Compatibility (HY) -9200 + (ID) 3150
Total energy: -76027.0 ( -100.56 by residue)
QMean score : 0.620
(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
: