Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLDQLEVSHDADSLCVVIEISKHSNIKYELDKESGALMVDRVLYGAQNYPANYGFVPNTLGSDGDPVDALVLSDVAFQAGSVVKARLVGVLNMEDESGMDEKLLALPIDKIDPTHSYVKDIDDLSKHTLDKIKHFFETYKDLEPNKWVKVKGFENKESAIKVLEKAIKAYQG
2BQX Chain:A ((7-172))
------EVSHDADSLCVVIEISKHSNIKYELDKESGALMVDRVLYGAQNYPANYGFVPNTLGSDGDPVDALVLSDVAFQAGSVVKARLVGVLNMEDESGMDEKLIALPIDKIDPTHSYVKDIDDLSKHTLDKIKHFFETYKDLEPNKWVKVKGFENKESAIKVLEKAIKAYQ-
General information:
TITO was launched using:
RESULT:
Template:
2BQX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -70817 for 1281 contacts (-55.3/contact) +
2D Compatibility (PS) -17762 + (NN) -5943 + (LL) 352
1D Compatibility (HY) -23600 + (ID) 8250
Total energy: -126020.0 ( -98.38 by residue)
QMean score : 0.524
(partial model without unconserved sides chains):
PDB file :
Tito_2BQX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BQX-query.scw
PDB file :
Tito_Scwrl_2BQX.pdb
: