Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLDQLEVSHDADSLCVVIEISKHSNIKYELDKESGALMVDRVLYGAQNYPANYGFVPNTLGSDGDPVDALVLSDVAFQAGSVVKARLVGVLNMEDESGMDEKLLALPIDKIDPTHSYVKDIDDLSKHTLDKIKHFFETYKDLEPNKWVKVKGFENKESAIKVLEKAIKAYQG
2BQY Chain:A ((4-173))
---EKLEVSHDADSLCVVIEISKHSNIKYELDKESGALMVDRVLYGAQNYPANYGFVPNTLGSDGDPVDALVLSDVAFQAGSVVKARLVGVLNMEDESGMDEKLIALPIDKIDPTHSYVKDIDDLSKHTLDKIKHFFETYKDLEPNKWVKVKGFENKESAIKVLEKAIKAYQG
General information:
TITO was launched using:
RESULT:
Template:
2BQY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -64361 for 1311 contacts (-49.1/contact) +
2D Compatibility (PS) -18371 + (NN) -6837 + (LL) 304
1D Compatibility (HY) -24000 + (ID) 8350
Total energy: -121615.0 ( -92.77 by residue)
QMean score : 0.513
(partial model without unconserved sides chains):
PDB file :
Tito_2BQY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BQY-query.scw
PDB file :
Tito_Scwrl_2BQY.pdb
: