Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKALMFTLLGVSLAFATPYTIDKANSSVWYEVKHFTFNETRGAFDNFDGKIDLEPNTKVLSVFEGNIDLKSVNTRDRKRDNHLKTADFFDVVKYPKGSFKMTKYEDGKIHGDLTLRGVTKPVVLEAKIQAPLQNPMNKKEFMVLQAEGKINRKDFGIGKTFSNAVVGDEVKIEIKLEAYAQ
3HPE Chain:B ((2-164))
------------------PYTIDKANSSVWFEVKHFKFNETRGVFDSFDGKIDADPNTKALNVFEGKIDIKSINTRNKKRDDHLKTAEFFDVVKYPKGSFKMTKYEDGKIHGDLTLHGVTKPVVLEAKIQAPLQNPMNKKEFMVLQAEGKINRKDFGIGKTFSDAVVGDEVKIELKLEAYA-
General information:
TITO was launched using:
RESULT:
Template:
3HPE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -58101 for 1166 contacts (-49.8/contact) +
2D Compatibility (PS) -17005 + (NN) 3236 + (LL) 2160
1D Compatibility (HY) -19600 + (ID) 7250
Total energy: -96560.0 ( -82.81 by residue)
QMean score : 0.462
(partial model without unconserved sides chains):
PDB file :
Tito_3HPE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HPE-query.scw
PDB file :
Tito_Scwrl_3HPE.pdb
: