Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAHELSAGSVFAGYRIERMLGAGGMGTVYLARNPDLPRSEALKVLAAELSRDLDFRARFVREADVAAGLDHPNIVAVHQRGQFEGRLWIAMQFVDGGNAEDALRA--ATMTTARAVYVIGEVAKALDYAHQQGVIHRDIKPANFLLSRAAGGDERVLLSDFGIARALGDTGLTSTGSVLATLAYAAPEVLAGQGFDGRADLYSLGCALFRLLTGEAPFAAGAGAAVAVVAGHLHQPPPTVSDRVPGLSAAMDAVIATAMAKDPMRRFTSAGEFAHAAAAALYGGATDGWVPPSPAPHVISQGAVPGSPWWQHPVGSVTALATPPGHGWPPGLPPLPRRPRRYRRGVAAVAAVMVVAAAAVTAVTMTSHQPRTATPPSAAALSPTSSSTTPPQPPIVTRSRLPGLLPPLDDVKNFVGIQNLVAHEPMLQPQTPNGSINPAECWPAVGGGVPSAYDLGTVIGFYGLTIDEPPTGTAPNQVGQLIVAFRDAATAQRHLADLASIWRRCGGRTVTLFRSEWRRPVELSTSVPEVVDGITTMVLTAQGPVLRVREDHAIAAKNNVLVDVDIMTPDTSRGQQAVIGITNYILAKIPG |
3UTO Chain:A ((154-417)) | --------HVLDHYDIHEELGTGAFGVVHRVTERATGNNFAAKFVMTPHE---SDKETVRKEIQTMSVLRHPTLVNLHDAFEDDNEMVMIYEFMSGGELFEKVADEHNKMSEDEAVEYMRQVCKGLCHMHENNYVHLDLKPENIMFTTK--RSNELKLIDFGLTAHLDPKQ--SVKVTTGTAEFAAPEVAEGKPVGYYTDMWSVGVLSYILLSGLSPFGGEND--DETLRNVKSCDWNMDDSAFSGISEDGKDFIRKLLLADPNTRMTIHQALEHPWLTPG---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3UTO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -145131 for 2014 contacts (-72.1/contact) +
2D Compatibility (PS) -27537 + (NN) -10599 + (LL) 16392
1D Compatibility (HY) -12800 + (ID) 3000
Total energy: -182675.0 ( -90.70 by residue)
QMean score : 0.392
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