Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLVSLSLSSLLTLFFIMLMASGISGLLFLHPRVPLSFVRIHIGILALPLLVSLLILANSGVSGNVGPWHLDSLACLMTFFVLAIGFIIQRFSVRYLMGDRSYRKYFTLFTFTTGAASMTWLSGDLRLMVLFWGAT------LVGLTLLIRLNSAWQVASEAAKISGRLFLLSWFSLFFAMMWLFHATGQWQL-SLVVTNESLAGLGEWERTGIQLLIVLAVIIPAAQWPFQRWLVESIVAPTPVSAIMHAG-LVNAGGIILTRFSPLFHGGIASIILL-LLASISVLIGTGISLVQVDYKRQLVGSTIGQMGFMLIQCALGAYIAAIIHLILHGLFKATLFLQAGSAV--GRHEVSTRTNERTSYLWVMAGRILSLVIGVAFWLTAPGDGYHLISALILGWSLSVSWDQLVAFGEGRIGRIAGLTVLGGAALVYFIIHHLFYKWLHTTIFQSVQPPMSAVMIVVCLLLFGSALGTWVARHRSSVFFAVLYLWLVRLGEAKPKSVESHPDYLKQYIS |
3RKO Chain:L ((81-359)) | ---------------------------------------------------------------------LDGLSLTMLSVVTGVGFLIHMYASWYMRGEEGYSRFFAYTNLFIASMVVLVLADNLLLMYLGWEGVGLCSYLLIGFYYTDPKNGAAAMKAFVVTRVGDVFLA------FALFILYNELGTLNFREMVELAPAHFADGNNMLMWATLMLLGGAVGKSAQLPLQTWLADAMAGPTPVSALIHAATMVTAGVYLIARTHGLFLMTPEVLHLVGIVGAVTLLLAGFAALVQTDIKRVLAYSTMSQIGYMFLALGVQAWDAAIFHLMTHAFFKALLFLASGSVILACHHE------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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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) -271306 for 2309 contacts (-117.5/contact) +
2D Compatibility (PS) -27635 + (NN) -8466 + (LL) 19872
1D Compatibility (HY) -26400 + (ID) 4150
Total energy: -318085.0 ( -137.76 by residue)
QMean score : 0.238
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