Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MAHELSAGSVFAGYRIERMLGAGGMGTVYLARNPDLPRSEALKVLAAELSRD-LDFRARFVREADVAAGLDHPNIVAVHQRGQFEGRLWIAMQFVDGGNAEDALRA-ATMTTARAVYVIGEVAKALDYAHQQGVIHRDIKPANFLLSRAAGGDERVLLSDFGIARALGDTGLTSTGSVLATLAYAAPEVLAGQGFDGRADLYSLGCALFRLLTGEAPFAAGAGAAVAVVAGHLHQPPPTVSDRVPGLSAAMDAVIATAMAKDPMRRFTSAGEFAHAAAAALYGGATDGWVPPSPAPHVISQGAVPGSPWWQHPVGSVTALATPPGHGWPPGLPPLPRRPRRYRRGVAAVAAVMVVAAAAVTAVTMTSHQPRTATPPSAAALSPTSSSTTPPQPPIVTRSRLPGLLPPLDDVKNFVGIQNLVAHEPMLQPQTPNGSINPAECWPAVGGGVPSAYDLGTVIGFYGLTIDEPPTGTAPNQVGQLIVAFRDAATAQRHLADLASIWRRCGGRTVTLFRSEWRRPVELSTSVPEVVDGITTMVLTAQGPVLRVREDHAIAAKNNVLVDVDIMTPDTSRGQQAVIGITNYILAKIPG |
| 3I6U Chain:A ((216-488)) | ---------LRDEYIMSKTLGSGACGEVKLAFERKTCKKVAIRIISKRKFAIG----LNVETEIEILKKLNHPCIIKIKNFFDA-EDYYIVLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQE-EDCLIKITDFGHSKILG-------------PTYLAPEVLV-AGYNRAVDCWSLGVILFICLSGYPPFSEHRT-QVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQD----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3I6U.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -135878 for 1917 contacts (-70.9/contact) +
2D Compatibility (PS) -25992 + (NN) -9679 + (LL) 16508
1D Compatibility (HY) -19200 + (ID) 3200
Total energy: -177441.0 ( -92.56 by residue)
QMean score : 0.390
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