Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MEGGPAVCCQDPRAELVERVAAIDVTHLEEADGGPEPTRNGVDPPPRARAASVIPGSTSRLLPARPSLSARKLSLQERPAGSYLEAQAGPYATGPASHISPRAWRRPTIESHHVAISDAEDCVQLNQYKLQSEIGKGAYGVVRLAYNESEDRHYAMKVLSKKKLLKQYGFPRRPPPRGSQAAQGGPAKQLLPLERVYQEIAILKKLDHVNVVKLIEVLDDPAEDNLYLVFDLLRKGPVME-VPCDKPFSEEQARLYLRDVILGLEYLHCQKIVHRDIKPSNLLLG---DDGHVKIADFGVSNQFEGNDAQLSSTAGTPAFMAPEAISDSGQSFSGKALDVWATGVTLYCFVYGKCPFIDDFI-LALHRKIKNEPVVFPEE--PEISEELKDLILKMLDKNPETRIGVPDIKLHPWVTKNGEEPLPSEEEHCSVVEVTEEEVKNSVRLIPSWTTVILVKSMLRKRSFGNPFEPQARREERSMSAPGNLLVKEGFGEGGKSPELPGVQEDEAAS |
| 4BDE Chain:A ((16-284)) | -----------------------------------------------------------------------------------------------------------------------------DEYIMSKTL------EVKLAFERKTCKKVAIKIISK-------------------------------ALNVETEIEILKKLNHPCIIKIKNFFD--AED-YYIVLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHS-KIL--TSLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDEDMKRKFQDLLSEENESTALPQVLA--------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BDE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -136832 for 1741 contacts (-78.6/contact) +
2D Compatibility (PS) -25784 + (NN) -14552 + (LL) 10464
1D Compatibility (HY) -22800 + (ID) 4150
Total energy: -193654.0 ( -111.23 by residue)
QMean score : 0.437
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