Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKKTLAALALGSALFTAGQAMAADYKIDKEGQHAFIEFRIKHLGYSWLYGRFNDFDGSFTFDEKNPSADKVKVTINTNSVDTNHAERDKHLRSGDFLNVSKNPTATFESTEVKANGDSADITGNLTLNGVTKPVTIKAKLIGQGDDPWGG-YRAGFEGSATLKLKDFGIKMDLG--PASQEVELLLSVEGIRQ
3HPE Chain:A ((1-164))
-----------------------KPYTIDKA--NSSVWFEVKHFKFNETRGVFDSFDGKIDADPNTKALNVFEGKIDIKSINTRNKKRDDHLKTAEFFDVVKYPKGSFKMTKYEDG----KIHGDLTLHGVTKPVVLEAKIQAPLQNPMNKKEFMVLQAEGKINRKDFGIGKTFSDAVVGDEVKIELKLEAYA-
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) -59832 for 1168 contacts (-51.2/contact) +
2D Compatibility (PS) -17614 + (NN) -7676 + (LL) 2352
1D Compatibility (HY) -10400 + (ID) 2450
Total energy: -95620.0 ( -81.87 by residue)
QMean score : 0.531
(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
: