Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTAVQLIVGLGNPGPEYDQTRHNAGALFVERLAHAQGVSLVADRKYFGLVGKFSHQGKDVRLLIPTTYMNRSGQSVAALAGFFRIAPDAILVAHDELDMPPGVAKLKTGGGHGGHNGLRDIIAQLGNQNSFHRLRLGIGHPGHSSLVSGYVLGRAPRSEQELLDTSIDFALGVLPEMLAGDWTRAMQKLHSQKA
3VJR Chain:A ((6-196))
---IKLIVGLANPGAEYAATRHNAGAWFVDLLAERLRAPLREEAKFFGYTSRVTLGGEDVRLLVPTTFMNLSGKAVAAMASFFRINPDEILVAHDELDLPPGVAKFKLGGGHGGHNGLKDIISKLGNNPNFHRLRIGIGHPGDKNKVVGFVLGKPPVSEQKLIDEAIDEAARCTEMWFTDGLTKATNRLHAFKA
General information:
TITO was launched using:
RESULT:
Template:
3VJR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -120593 for 1614 contacts (-74.7/contact) +
2D Compatibility (PS) -20747 + (NN) -12336 + (LL) 404
1D Compatibility (HY) -18000 + (ID) 5550
Total energy: -176822.0 ( -109.56 by residue)
QMean score : 0.518
(partial model without unconserved sides chains):
PDB file :
Tito_3VJR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3VJR-query.scw
PDB file :
Tito_Scwrl_3VJR.pdb
: