Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MADKKRYEELINILDQYSYDYYVIDNPTVEDAEYDQKMQELLKIEEAHPEWVTPESPSKRVGGEVLEGFKKVAHDTPMLSLANAFNHEDLADFDRRIRDKVGDDIAYMCELKIDGLAVSLQYENGKYKQGATRGDGTIGEDITANLRTIRSIPMKLQKDYSIEVRGEAFMPKRSFQKLNEIREEEGQMLFANPRNAAAGSLRQLDTKIAASRNLDIFLYAVADFGEMGVETHSAGLDMLETLGLKVNKERRLCSSLEEVYAYIDEWTEKRADLAYDIDGIVLKLNNLEQQRQMGTTVKSPRWSIAYKFPAEEVPTKLLDIELNVGRTGVITPTAVLEPVRVAGTTVSRASLHNEDLITEKDIRIGDTVLIKKAGDIIPEVIKSITEERSGSEEPFHMPKKCPTCDSELVRLEEEVALRCINPKCPAQIKEGLIHFVSRNAMNIDGLGEKVIIQLFSQHLIKDVADLFFLSKEKLLELERMGEKSVTNLLASIEASKQNSLEKLLFGLGIRHVGAKAAKSLAVHFETMDNLKVADKETLTSINDIGEKMADSIVTYFANEEVHDLLEELKRAGVNMTYTGPKLEDMSEEELVFAGKTVVLTGKLEKLTRNDAKALIESLGGNVSGSVSKKTDVVVAGSDAGSKLAKAEELAIPIWSEEDLIEYLPDEGGLNE |
4GLW Chain:B ((3-304)) | ----KRMNELVALLN----------------------YRELVELETAYPEQVLADSPTHRVGGKVLDGFEKYSHQYPLYSLQDAFSREELDAFDARVRKEVAHP-TYICELKIDGLSISLTYEKGILVAGVTRGDGSIGENITENLKRVKDIPLTLPEELDITVRGECYMPRASFDQVNQARQENGEPEFANPRNAAAGTLRQLDTAVVAKRNLATFLYQEASPSTR--DSQEKGLKYLEQLGFVVNPKRILAENIDEIWNFIQEVGQERENLPYDIDGVVIKVNDLASQEELGFTVKAPKWAVAYKFP-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4GLW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -72065 for 2180 contacts (-33.1/contact) +
2D Compatibility (PS) -29846 + (NN) -8493 + (LL) 27640
1D Compatibility (HY) -29200 + (ID) 6950
Total energy: -118914.0 ( -54.55 by residue)
QMean score : 0.490
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