Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
METNKPTLYWSLLMFKDWNFYIASTLKGLVFVGSQNKPIEELFEWARKRFPGSLLVEDDDKLEPYAVEITQYLEGKRKNFTVPVEYAGTQFQLAVWNALCEIPYGQTKSYSDIANDINKPAAVRAVGAAIGANPVLITVPCHRVIGKNGSLTGYRGGFEMKTLLLDLEK-RASSEMDVPH
4BHB Chain:A ((15-161))
------------------------TLAGHGSVLTNLRMLEQTYEPSRTHW-----TPDPGAFSGAVDQLNAYFAGELTEFDVELDLRGTDFQQRVWKALLTIPYGETRSYGEIADQIGAPGAARAVGLANGHNPIAIIVPCHRVIGASGKLTGYGGGINRKRALLELEKSRAPADL----
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) -47444 for 993 contacts (-47.8/contact) +
2D Compatibility (PS) -15278 + (NN) -5673 + (LL) 1988
1D Compatibility (HY) -9200 + (ID) 3200
Total energy: -78807.0 ( -79.36 by residue)
QMean score : 0.505
(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
: