Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTAVQLIVGLGNPGPEYDQTRHNAGALFVERLAHAQGVSLVADRKYFGLVGKFSHQGKDVRLLIPTTYMNRSGQSVAALAGFFRIAPDAILVAHDELDMPPGVAKLKTGGGHGGHNGLRDIIAQLGNQNSFHRLRLGIGHPGHSSLVSGYVLGRAPRSEQELLDTSIDFALGVLPEMLAGDWTRAMQKLHSQKA
2PTH Chain:A ((1-191))
--TIKLIVGLANPGAEYAATRHNAGAWFVDLLAERLRAPLREEAKFFGYTSRVTLGGEDVRLLVPTTFMNLSGKAVAAMASFFRINPDEILVAHDELDLPPGVAKFKLGGGHGGHNGLKDIISKLGNNPNFHRLRIGIGHPGDKNKVVGFVLGKPPVSEQKLIDEAIDEAARCTEMWFTDGLTKATNRLHAFK-
General information:
TITO was launched using:
RESULT:
Template:
2PTH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -108504 for 1588 contacts (-68.3/contact) +
2D Compatibility (PS) -20747 + (NN) -12241 + (LL) 404
1D Compatibility (HY) -18000 + (ID) 5500
Total energy: -164588.0 ( -103.64 by residue)
QMean score : 0.537
(partial model without unconserved sides chains):
PDB file :
Tito_2PTH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PTH-query.scw
PDB file :
Tito_Scwrl_2PTH.pdb
: