Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSLSDARSISYMSDIISIASDHAGYELKSEIKSYLETLGCKVLDRGCTAEQKCVDYPDYAVKIAEDIINKKADYGILICGTGLGMSIVANRFKGIHAVLCNSVEITKLAREHGNANVLCLGARFTASGLAKDIVKQFLETEFSKESRHKRRLDKLSNIASFSKRKKVQTYNEDEVSKFAKMVGEWWDENGKFKPLHMMNPVRVSYIIEKIKEL--KKCDLKKLSLLDVGCGGGILSESIARVGINVLGIDVCEENIKVAQSHAKKVGLNIEYTHTSIEELSNNQ--KYDVVLLMEVVEHVDNLELFIKKAIELLKPEGLIFISTINRTFKSFFLAIIGAEYILNWLPKGTHNWNKFLKPSEIANHLREGNVTLQDMAGMEYNIIKSEWNLTKGVDVNYILCGVMNS |
4KDR Chain:A ((19-218)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------DHEEIAKFEAVASRWWDLEGEFKPLHRINPLRLGYIAERAGGLFGKK-------VLDVGCGGGILAESMAREGATVTGLDMGFEPLQVAKLHALESGIQVDYVQETVEEHAAKHAGQYDVVTCMEMLEHVPDPQSVVRACAQLVKPGGDVFFSTLNRN-----------------------GVKKFIKPAELLGWVDQTSLKERHITGLHYNPITNTFKLGPGVDVNYMLHTQNK- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4KDR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -148081 for 1609 contacts (-92.0/contact) +
2D Compatibility (PS) -20593 + (NN) 223 + (LL) 14328
1D Compatibility (HY) -18000 + (ID) 4150
Total energy: -176273.0 ( -109.55 by residue)
QMean score : 0.610
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