Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
METNKPTLYWSLLMFKDWNFYIASTLKGLVFVGSQNKPIEELFEWARKRFPGSLLVEDDDKLEPYAVEITQYLEGKRKNFTVPVEYAGTQFQLAVWNALCEIPYGQTKSYSDIANDINKPAAVRAVGAAIGANPVLITVPCHRVIGKNGSLTGYRGGFEMKTLLLDLEK-RASSEMDVPH
4WXD Chain:A ((53-161))
-------------------------------------------------------------------QLNAYFAGELTEFDVELDLRGTDFQQRVWKALLTIPYGETRSYGEIADQIGAPGAARAVGLANGHNPIAIIVPCHRVIGASGKLTGYGGGINRKRALLELEKSRAPADL----
General information:
TITO was launched using:
RESULT:
Template:
4WXD.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -55275 for 710 contacts (-77.9/contact) +
2D Compatibility (PS) -11508 + (NN) -5936 + (LL) 4784
1D Compatibility (HY) -10000 + (ID) 2800
Total energy: -80735.0 ( -113.71 by residue)
QMean score : 0.586
(partial model without unconserved sides chains):
PDB file :
Tito_4WXD.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WXD-query.scw
PDB file :
Tito_Scwrl_4WXD.pdb
: