Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEGGPAVCCQDPRAELVERVAAIDVTHLEEADGGPEPTRNGVDPPPRARAASVIPGSTSRLLPARPSLSARKLSLQERPAGSYLEAQAGPYATGPASHISPRAWRRPTIESHHVAISDAEDCVQLNQYKLQSEIGKGAYGVVRLAYNESEDRHYAMKVLSKKKLLKQYGFPRRPPPRGSQAAQGGPAKQLLPLERVYQEIAILKKLDHVNVVKLIEVLDDPAEDNLYLVFDLLRKGPVME-VPCDKPFSEEQARLYLRDVILGLEYLHCQKIVHRDIKPSNLLLG---DDGHVKIADFGVSNQFEGNDAQLSSTAGTPAFMAPEAISDSGQSFSGKALDVWATGVTLYCFVYGKCPFIDDFILALHRKIKNEPVVFPEE--PEISEELKDLILKMLDKNPETRIGVPDIKLHPWVTKNGEEPLPSEEEHCSVVEVTEEEVKNSVRLIPSWTTVILVKSMLRKRSFGNPFEPQARREERSMSAPGNLLVKEGFGEGGKSPELPGVQEDEAAS |
2CN8 Chain:A ((16-284)) | -----------------------------------------------------------------------------------------------------------------------------DEYIMSKTLGS----EVKLAFERKTCKKVAIKIISK---------------------------------NVETEIEILKKLNHPCIIKIKNFFD--AED-YYIVLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHS-KIL--TSLMRTLC--PTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEH--VSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDEDMKRKFQDLLSEEN------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2CN8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -114800 for 1680 contacts (-68.3/contact) +
2D Compatibility (PS) -24914 + (NN) -12835 + (LL) 11592
1D Compatibility (HY) -24000 + (ID) 4100
Total energy: -169057.0 ( -100.63 by residue)
QMean score : 0.452
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