Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGERLMPLSLDLLRVFESAARQLSFTAAAEELGTTQPAVSQQIKRLEKELATPLFQRVHRGIVLTDAGQLLLRHVAAGLETIDAGIAALGARQRHEVLQVATDYAFAAYWLMPRLPRFHQAHPHLDVSLVTSERGLAGQRGDIDVAILFGDGRSKHGEAHRLFREEVFPVCSPRLVEGLQLPLAKAHLARLPMLHLKPAQHARWFDWPALFEALAIDRQPIPAVLSFDNYTLLIQAAIA-GQGVAIGWRHL-VDGLLEQGLLCRPIGESCLSRYGYYAVLPERKRRQRLVDGFVDWLQAELQAGGA
2QSX Chain:A ((19-215))
-----------------------------------------------------------------------------------------------ELLVVDVTPSFASLWLVPNINDFHQRHPNIRVKILTGDGAV-----ESDLHVRCLPLSTHYEYSQLLCEETLLLIGNTNL-----------PISHYPFIPQTTRPQ----LWEQFKQENITYHSV-----GFEHFYLACEAV-RMEKGLALLPD-FMAQFSILRGDIQHIGNLKLHSGYGYYVVIPNFRLTSRKVALFHDWLKDKLT----
General information:
TITO was launched using:
RESULT:
Template:
2QSX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -149910 for 1341 contacts (-111.8/contact) +
2D Compatibility (PS) -19027 + (NN) -6233 + (LL) 10800
1D Compatibility (HY) -12800 + (ID) 2050
Total energy: -179220.0 ( -133.65 by residue)
QMean score : 0.476
(partial model without unconserved sides chains):
PDB file :
Tito_2QSX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2QSX-query.scw
PDB file :
Tito_Scwrl_2QSX.pdb
: