Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | SVYPKALRDEYIMSKTLGSGACGEVKLAFERKTCKKVAIKIISKRKFAIGSAREADPALNVETEIEILKKLNHPCIIKIKNFFDAED-YYIVLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKILGETSLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDEDMKRKFQDLLSEENESTALPQVLAQPSTSRKRPREGEAEGAE |
3MWU Chain:A ((18-281)) | ----GTFAERYNIVCMLGKGSFGEVLKCKDRITQQEYAVKVINKASAK------NKDTSTILREVELLKKLDHPNIMKLFEILEDSSSFYIVGELYTGGELFDEIIKRKRFSEHDAARIIKQVFSGITYMHKHNIVHRDLKPENILLESKEKDCDIKIIDFGLSTCFQQN----DRIGTAYYIAPEVLR----GTYDEKCDVWSAGVILYILLSGTPPFYGK-NEYDILKRVETGKYAFDLPQWRTISDDAKDLIRKMLTFHPSLRITATQCLEHPWIQ-------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3MWU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -177566 for 2030 contacts (-87.5/contact) +
2D Compatibility (PS) -27669 + (NN) -14662 + (LL) 3584
1D Compatibility (HY) -24800 + (ID) 5200
Total energy: -246313.0 ( -121.34 by residue)
QMean score : 0.394
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