Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTLLVGLGNPTLRYDHTRHNAGFDILDSLVSELDLSFIFSPKHNAYLCVY----KDFILLKPQTYMNLSGESVLSAKNFYKTK--ELLIVHDDLDLPLGVVKFKKGGGNGGHNGLKSIDALC--SNSYYRLRVGISKGIN---ITEHVLSKFHNNEEPLKNAAFEHAKNALKFFIESHDFNATQNRFTLKKPLQIES
4QD3 Chain:A ((4-187))
VQLIVGLGNPGPEYDQTRHNAGALFVERLAHAQGVSLVADRKYFGLVGKFSHQGKDVRLLIPTTYMNRSGQSVAALAGFFRIAPDAILVAHDELDMPPGVAKLKTGGGHGGHNGLRDIIAQLGNQNSFHRLRLGIGHPGHSSLVSGYVLGRAPRSEQELLDTSIDFALGVLPEMLAGDWTRAMQKLHSQKA------
General information:
TITO was launched using:
RESULT:
Template:
4QD3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -95614 for 1448 contacts (-66.0/contact) +
2D Compatibility (PS) -18475 + (NN) -2905 + (LL) 444
1D Compatibility (HY) -10400 + (ID) 3400
Total energy: -130350.0 ( -90.02 by residue)
QMean score : 0.457
(partial model without unconserved sides chains):
PDB file :
Tito_4QD3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4QD3-query.scw
PDB file :
Tito_Scwrl_4QD3.pdb
: