Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLVSLSLSSLLTLFFIMLMASGISGLLFLHPRVPLSFVRIHIGILALPLLVSLLILANSGVSGNVGPWHLDSLACLMTFFVLAIGFIIQRFSVRYLMGD-RSYRKYFTLFTFTTGAASMTWLSGDLRLMVLFWGATLVGLTLLIRLNSAWQVASEAAKISGRLFLLSWFSLFFAMMWLFHATGQWQLSLVVTNESLAGLGEWERTGIQLLIVLAVIIPAAQWPFQRWLVESI-VAPTPVSAIMHAGLVNAGGII-LTRFSPLFHG--G-IASIILLLLASISVLIGTGISLVQVDYKRQLVGSTIGQMGFMLIQCALG-----AYIAAIIHLILHGLFKATLFLQAGSAVGRHEVSTRTNERTSYLWVMAGRILSLVIGVAFWLTAPGDGYHLISALILGWSLSVSWDQLVAFGEGRIGRIAGLTVLGGAALVYFIIHHLFYKWLHTTIFQSVQPPMSAVMIVVCLLLFGSALGTWVARHRSSVFFAVLYLWLVRLGEAKPKSVESHPDYLKQYIS |
3RKO Chain:N ((62-355)) | --------------------------------------------------------------DVTPLMRVDGFAMLYTGLVLLASLATCTFAYPWLEGYNDNKDEFYLLVLIAALGGILLANANHLASLFLGIELISLPLFGLVGYAFRQKRSLEASIKYTILSAAASSFLLFGMALVYAQSGDLSFVALGK-------NEPLLLAGFGLMIVGLGFKLSLVPFHLWTPDVYQGAPAPVSTFLAT-ASKIAIFGVVMRLFLYAPVGDSEAIRVVLAIIAFASIIFGNLMALSQTNIKRLLGYSSISHLGYLLVALIALQTGEMSMEAVGVYLAGYLFSSLGAFGVVSLMSSP-------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3RKO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -282622 for 2333 contacts (-121.1/contact) +
2D Compatibility (PS) -28446 + (NN) -13605 + (LL) 19800
1D Compatibility (HY) -12800 + (ID) 2400
Total energy: -320073.0 ( -137.19 by residue)
QMean score : 0.265
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