Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | -MRIQTTNLDKGGGGKSSHTYNEGDWLSRVMGKRVLLIDGARECNLTHSFDVTSDK--------TIYDIFITG---EYEICRINDKLSLIRGDERLTDEQLDLASRNNKYLQLFMWFSEHYEELAEQFDIILIDTHNDESLVTANCIAVSDIVLGVTDASTNGFRAWLALKKFVDDIKNE-AIEVITKKSYVKAEAYLIGNKIEYYGNNVTETCKQFLDVVQEDEAYLGSIQKKELMAKSLVINQSVFEQREHMTEKQKQDHQKFYDNIEYVYQNILTVLEGETK |
3K9G Chain:A ((26-267)) | KPKIITIASIKGGVGKSTSAIILATLLSK--NNKVLLIDMDTQASITSYFYEKIEKLGINFTKFNIYEILKENVDIDSTIINVDNNLDLIPSYLTLHNFSEDKIEHKDFLLKTSLG------TLYYKYDYIVIDTNPSLDVTLKNALLCSDYVIIPMTAEKWAVESLDLFNFFVRKLNLFLPIFLIITRFKKNR------------------THKTLFEILKTKDRFLGTISENKDYIKEYENILEIFLKKI--------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3K9G.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -54280 for 1698 contacts (-32.0/contact) +
2D Compatibility (PS) -22412 + (NN) -3660 + (LL) 4560
1D Compatibility (HY) -14000 + (ID) 2500
Total energy: -92292.0 ( -54.35 by residue)
QMean score : 0.327
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