Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKALMFTLLGVSLAFATPYTIDKANSSVWYEVKHFTFNETRGAFDNFDGKIDLEPNTKVLSVFEGNIDLKSVNTRDRKRDNHLKTADFFDVVKYPKGSFKMTKYEDGKIHGDLTLRGVTKPVVLEAKIQAPLQNPMNKKEFMVLQAEGKINRKDFGIGKTFSNAVVGDEVKIEIKLEAYAQ
3HPE Chain:A ((1-163))
-----------------KPYTIDKANSSVWFEVKHFKFNETRGVFDSFDGKIDADPNTKALNVFEGKIDIKSINTRNKKRDDHLKTAEFFDVVKYPKGSFKMTKYEDGKIHGDLTLHGVTKPVVLEAKIQAPLQNPMNKKEFMVLQAEGKINRKDFGIGKTFSDAVVGDEVKIELKLEAYA-
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) -52522 for 1182 contacts (-44.4/contact) +
2D Compatibility (PS) -17122 + (NN) 3553 + (LL) 2132
1D Compatibility (HY) -19600 + (ID) 7200
Total energy: -90759.0 ( -76.78 by residue)
QMean score : 0.435
(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
: