Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MARENGESSSSWKKQAEDIKKIFEFKETLGTGAFSEVVLAEEKATGKLFAVKCIPKKALKGKESSIENEIAVLRKIKHENIVALEDIYESPNHLYLVMQLVSGGELFDRIVEKGFYTEKDASTLIRQVLDAVYYLHRMGIVHRDLKPENLLYYSQDEESKIMISDFGLSKMEGKGDVMSTACGTPGYVAPEVL---AQKPYSKAVDCWSIGVIAYILLCGYPPFYDENDS-KLFEQILKAEYEFDSPYWDDISDSAKDFIRNLMEKDPNKRYTCEQAARHPWIAGDTALNKNIHESVSAQIRKNFAKSKWRQAFNATAVVRHMRKLHLGSSLDSSNASVSSSLSLASQKDCLAPSTLCSFISSSSGVSGVGAERRPRPTTVTAVHSGSK |
2YCR Chain:A ((16-278)) | --------------------------KTLGS---GEVKLAFERKTCKKVAIKIISK--------NVETEIEILKKLNHPCIIKIKNFFDAEDY-YIVLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKILGETSLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDEDMKRKFQDLLSEENESTAKPQ---------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2YCR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -153337 for 1743 contacts (-88.0/contact) +
2D Compatibility (PS) -25878 + (NN) -14233 + (LL) 7528
1D Compatibility (HY) -26400 + (ID) 5500
Total energy: -217820.0 ( -124.97 by residue)
QMean score : 0.537
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