Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAHELSAGSVFAGYRIERMLGAGGMGTVYLARNPDLPRSEALKVLAAELSRD---LDFRARFVREADVAAGLDHPNIVAVHQRGQFEGRLWIAMQFVDGGNAEDALRA-ATMTTARAVYVIGEVAKALDYAHQQGVIHRDIKPANFLLSRAAGGDERVLLSDFGIARALGDTGLTSTGSVLATLAYAAPEVLAGQGFDGRADLYSLGCALFRLLTGEAPFAAGAGAAVAVVAGHLHQPPPTVSDRVPGLSAAMDAVIATAMAKDPMRRFTSAGEFAHAAAAALYGGATDGWVPPSPAPHVISQGAVPGSPWWQHPVGSVTALATPPGHGWPPGLPPLPRRPRRYRRGVAAVAAVMVVAAAAVTAVTMTSHQPRTATPPSAAALSPTSSSTTPPQPPIVTRSRLPGLLPPLDDVKNFVGIQNLVAHEPMLQPQTPNGSINPAECWPAVGGGVPSAYDLGTVIGFYGLTIDEPPTGTAPNQVGQLIVAFRDAATAQRHLADLASIWRRCGGRTVTLFRSEWRRPVELSTSVPEVVDGITTMVLTAQGPVLRVREDHAIAAKNNVLVDVDIMTPDTSRGQQAVIGITNYILAKIPG |
2YAB Chain:A ((8-278)) | -------QKVEDFYDIGEELGSGQFAIVKKCREKSTGLEYAAKFIKKRQSRASRRGVCREEIEREVSILRQVLHPNIITLHDVYENRTDVVLILELVSGGELFDFLAQKESLSEEEATSFIKQILDGVNYLHTKKIAHFDLKPENIMLLDKNIPIPHIKLIDFGLAHEIEDGV--EFKNIFGTPEFVAPEIVNYEPLGLEADMWSIGVITYILLSGASPFLGDTK--QETLANITAVSYDFDEEFFSQTSELAKDFIRKLLVKETRKRLTIQEALRHPWITP----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2YAB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -135617 for 2119 contacts (-64.0/contact) +
2D Compatibility (PS) -28571 + (NN) -15051 + (LL) 16568
1D Compatibility (HY) -14400 + (ID) 3050
Total energy: -180121.0 ( -85.00 by residue)
QMean score : 0.372
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