Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | SVYPKALRDEYIMSKTLGSGACGEVKLAFERKTCKKVAIKIISKRKFAIGSAREADPALNVETEIEILKKLNHPCIIKIKNFFDAED-YYIVLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKILGETSLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDEDMKRKFQDLLSEENESTALPQVLAQPSTSRKRPREGEAEGAE |
3NYV Chain:A ((23-287)) | -----IFSDRYKGQRVLGKGSFGEVILCKDKITGQECAVKVISKRQVKQ-----KTDKESLLREVQLLKQLDHPNIMKLYEFFEDKGYFYLVGEVYTGGELFDEIISRKRFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENLLLESKSKDANIRIIDFGLSTHFEASKKMKDKIGTAYYIAPEVLH----GTYDEKCDVWSTGVILYILLSGCPPFNGA-NEYDILKKVEKGKYTFELPQWKKVSESAKDLIRKMLTYVPSMRISARDALDHEWIQT------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NYV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -175317 for 2052 contacts (-85.4/contact) +
2D Compatibility (PS) -28195 + (NN) -15481 + (LL) 3064
1D Compatibility (HY) -24400 + (ID) 5300
Total energy: -245629.0 ( -119.70 by residue)
QMean score : 0.400
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