Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNGIPPLSSRDAHASPPQRVLERLH-SSAAGLDADEAARRLAAHGYNRLPAPKRQGPLLRLLRQFHNVLLYMMLFASLVTALLGFW----------VDSAVILLAVVVNALIGFVQEGKAANALDAIRDMLSLHALVLRDGQR--QALDAERLVPGDVVLLASGDRVPADLRLFETKN--FHVDESALTGESVPVEKGCVAVAID-ALLGDRRCMAYSGTLVTSGQARGVVVATAGDTELGRIGTLLREVRTLATPLLRQIASFSRWLALAILLLAGATFVLGTLWQGQPM---------VDMFMLVVALTASAIPEGLPAIMTVILALGVQRMARRNAIVSRLPAVETLGSVTVICSDKTGTLTRNEMTVQRIVTADQV---------IEVSGAGYAPLGGFSHNGEGLDPAGRDDLQEIGRAALLCNEARL--HQEGEAWQLEGDPTEGALLSLGLKLGLDPQAL----AAER------------PRSDAIPFESEHRFM------ATLHHDHAGQAMVYLKGAPERILDMCEAERVGDSVRPLDPDYWRRLAT-----DTAARGLRLLAIARRAMPA--EQRTLD----FADVEHGFTLLALVGIIDPPREEAVAAVAECQAAGIAVKMITGDHVDTARAIGAMLGIG------IDRPALTGAEIELLDDQRLREVLPGVDVFARASPEHKLRLVQALQASGEVVAMTGDGVNDAPALKRADVGVAMGNKGTEAAKEAAEVVLADDNFATIANAVREGRAVYDNLKKFILFMLPTNGGEALIVIAAILFQLTLPMTPAQILWINMVTSSTLGLALAFDPAERGLMQRPPRPPAEPLLSLFFVWRVLLV-------------SLLMMA--------GALGLFLWELE---HGTGLESA-------RTMAVNSVVVCEMFYLLNSRHIYDSVLSREGLFGNRQVLLAIAACVMLQLLYTYAPPLQALFGSVGLAPGEWARVLLAGLGLFCVAELEKWLCRRVRARQA |
3N5K Chain:B ((4-990)) | -----------AHSKSTEECLAYFGVSETTGLTPDQVKRHLEKYGHNELPAEEGKSLWELVIEQFEDLLVRILLLAACISFVLAWFEEGEETITAFVEPFVILLILIANAIVGVWQERNAENAIEALKEYEPEMGKVYRADRKSVQRIKARDIVPGDIVEVAVGDKVPADIRILSIKSTTLRVDQSILTGESVSVIKHTEPVPDPRAVNQDKKNMLFSGTNIAAGKALGIVATTGVSTEIGKIRDQMAATEQDKTPLQQKLDEFGEQLSKVISLICVAVWLINIGHFNDPVHGGSWIRGAIYYFKIAVALAVAAIPEGLPAVITTCLALGTRRMAKKNAIVRSLPSVETLGCTSVICSDKTGTLTTNQMSVCKMFIIDKVDGDFCSLNEFSITGSTYAPEGEVLKNDKPIRSGQFDGLVELATICALCNDSSLDFNETKGVYEKVGEATETALTTLVEKMNVFNTEVRNLSKVERANACNSVIRQLMKKEFTLEFSRDRKSMSVYCSPAKSSRAAVGNKM-FVKGAPEGVIDRCNYVRVGTTRVPMTGPVKEKILSVIKEWGTGRDTLRCLALATRDTPPKREEMVLDDSSRFMEYETDLTFVGVVGMLDPPRKEVMGSIQLCRDAGIRVIMITGDNKGTAIAICRRIGIFGENEEVADR-AYTGREFDDLPLAEQREACRRACCFARVEPSHKSKIVEYLQSYDEITAMTGDGVNDAPALKKAEIGIAMGS-GTAVAKTASEMVLADDNFSTIVAAVEEGRAIYNNMKQFIRYLISSNVGEVVCIFLTAALGLPEALIPVQLLWVNLVTDGLPATALGFNPPDLDIMDRPPRSPKEPLISGWLFFRYMAIGGYVGAATVGAAAWWFMYAEDGPGVTYHQLTHFMQCTEDHPHFEGLDCEIFEAPEPMTMALSVLVTIEMCNALNSLSENQSLM-RMPPWVNIWLLGSICLSMSLHFLILYVDPLPMIFKLKALDLTQWLMVLKISLPVIGLDEILKFIARNYLEG-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3N5K.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -483280 for 7388 contacts (-65.4/contact) +
2D Compatibility (PS) -94342 + (NN) -52377 + (LL) 404
1D Compatibility (HY) -72400 + (ID) 16800
Total energy: -718795.0 ( -97.29 by residue)
QMean score : 0.412
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