Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSLTRVSVTAVRNLHPVTLSPSPRINILYGDNGSGKTSVLEAIHLLGLARSFRSARLQPVIQYEEAACTVFGQVMLANGIASNLGISRERQGEFTIRIDGQNARSAAQLAETLPLQLINPDSFRLLEGAPKIRRQFLDWGVFHVEPRFLPVWQRLQKALRQRNSWLRHGKLDPASQAAWDRELSLASDEIDAYRRSYIQALKPVFEETLAELVSLDDLTLSYYRGWDKDRDLLEVLASSLLRDQQMGHTQAGPQRADLRIRLAGHNAAEILSRGQQKLVVCALRIAQGHLINRAKRGQCVYLVDDLPSELDEQHRMALCRLLEDLGCQVFITCVDPQLLKDGWRTDTPVSMFHVEHGKVSQTTTIGSEA |
3QKT Chain:A ((1-47)) | MKLERVTVKNFRSHSDTVVEFKEGINLIIGQNGSGKSSLLDAI-LVGLYWPLRIKDIKKDEFTKVGARDTYIDLIFEKDGTKYRITRRFLKGYSSGEIHAMKRLVGNEWKHVTEPSSKAISAFMEKLIPYNIFLNAIYIRQGQIDAILESDEAREKVVREVLNLDKFETAYKKLSELKGGSGGTEELIEKVKKYKALAREAALSKIGELASEIFAEFTEGKYSEVVVRAEENKVRLFVVWEGKERPLTFLSGGERIALGLAFRLAMSLYLAGEISLLILDEPTPYLDEERRRKLITIMERYLKKIPQVILVSHDEELKDAADHVIRISLENGSSKVEVVS----------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3QKT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -18035 for 236 contacts (-76.4/contact) +
2D Compatibility (PS) -5097 + (NN) -910 + (LL) 3068
1D Compatibility (HY) -5600 + (ID) 1050
Total energy: -27624.0 ( -117.05 by residue)
QMean score : 0.518
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