Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
METNKPTLYWSLLMFKDWNFYIASTLKGLVFVGSQNKPIEELFEWARKRFPGSLLVEDDDKLEPYAVEITQYLEGKRKNFTVPVEYAGTQFQLAVWNALCEIPYGQTKSYSDIANDINKPAAVRAVGAAIGANPVLITVPCHRVIGKNGSLTGYRGGFEMKTLLLDLEK-RASSEMDVPH
4BHC Chain:A ((53-161))
-------------------------------------------------------------------QLNAYFAGELTEFDVELDLRGTDFQQRVWKALLTIPYGETRSYGEIADQIGAPGAARAVGLANGHNPIAIIVPCHRVIGASGKLTGYGGGINRKRALLELEKSRAPADL----
General information:
TITO was launched using:
RESULT:
Template:
4BHC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -57591 for 694 contacts (-83.0/contact) +
2D Compatibility (PS) -11480 + (NN) -6442 + (LL) 4784
1D Compatibility (HY) -10000 + (ID) 2800
Total energy: -83529.0 ( -120.36 by residue)
QMean score : 0.572
(partial model without unconserved sides chains):
PDB file :
Tito_4BHC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BHC-query.scw
PDB file :
Tito_Scwrl_4BHC.pdb
: