Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKTSPNILFIMADQMAAPLLPLHDPRSVLRMPHLSRLAERAVVFDSAYCNSPLCAPSRFTLVSGRLPTRIGAWDNAADFAADTPTYAHYLRNLGYRTALSGKMHFCGPDQ-----LHGYEERLTSDIYPADYGWAVNWDEPEVRPSWYHNMSSVLQAGPCVRTNQLDFDEEVVFKARQYLYDHVRQHAGQPFCLTVSMTHPHDPYSIPASYWNLYRDEDIPLPRQRFAQEEQDPHSQRLLKVIDLWDKPLPEERIRAARRAYFGACSYVDAQIGALLATLEKCGLADDTIVVFSGDHGDMLGERGLWYKMHWFEMAARVPLLVHAPARFAPRRIGASVSTVDLLPTLVELAGGQVDPRLPLEGRSLLPHLRDGSGHDEVIGEYTAEGTLSPLMMIRRGDYKFIYSEQDPCLLYDLRNDPQERENLAASPAHRGTFEAFLDEARRRWDIPAITRAVLDSQRRRRLVAAALARGRLASWDHQPWVDASQQYMRNHIDLDDLERRARFPQP |
3LXQ Chain:A ((83-413)) | -GKRKNLVILLQESLGAQFVGSLG-G-LPLTPNLDELMQEGWQFTQMYATGTRSVRGIEAVTTGFPPSPSRAVVKLSKSQTGFFTIADLLKEQGYHTQFIYGGEANFDNMKTFFFGNGFDQIVEEKNYTNP----------------------------GFVGSWGVSDEDLYNKADEEFERLSK--GDKPFFSLVFTSSNHSPYEYPEGKIEQYD----------------------------------------SEHMTRNNAVKYSDYALGTFFDKAKKSSYWDDTIFIVIADHDARVFGA-----NLVPVKHFHIPALIIGKDIQ-PRKDDRIANNIDMPPTLLSLIGVDAKT--PMIGRDLTKPLARED-ERAMM-------QYDKNFGYLTRDNLVVLSPGEKVSTMEYDFESQTMKPLEVDESVIDRAKANALFASKAYQNNWYSSKR----------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3LXQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -205077 for 2870 contacts (-71.5/contact) +
2D Compatibility (PS) -34667 + (NN) -17117 + (LL) 9460
1D Compatibility (HY) -7600 + (ID) 2950
Total energy: -257951.0 ( -89.88 by residue)
QMean score : 0.462
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