Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSFFKRLKDKFATNKENEEVKSLREEQGQDKLEDTHSEGSTQDVNDLAENAEVKKKPRKLSEADFDDDGLISIEDFEEIEAQKMGAKFKAGLEKSRQNFQEQLNNLIARYRKVDEDFFEALEEM---LITADVGFNTVMTLTEELRMEAQRRNIQDTEDLREVIVEKIVEIYHQEDDNSEAMN-IEDGR----LNVILMVGVNGVGKTTTIGKLAYRYKMEGKKVMLAAGDTFRAGAIDQLKVWGERVGVDVISQSEGSDPAAVMYDAINAAKNKGVDILICDTAGRLQNKTNLMQELEKVKRVINRAVPDAPHEALLCLDATTGQNALSQARNFKEVTNVTGIVLTKLDGTAKGGIVLAIRNELHIPVKYVGLGEQLDDLQPFNPESYVYGLFADMIEQNDEITTVENDQIVTEEKDDNHGAK |
3DMD Chain:B ((49-324)) | -----------------------------------------------------------------------------------------------------------------EKDVDKALDELEIDLLEADVALEVVDALREKIKQKLVGKKVRIGTDKGKIIEEAVKEAVSEILETSRRIDLIEEIRKAEKPYVIMFVGFNGSGKTTTIAKLANWLKNHGFSVVIAASDTFRAGAIEQLEEHAKRIGVKVIKHSYGADPAAVAYDAIQHAKARGIDVVLIDTAGRSETNRNLMDEMKKIARVTK------PNLVIFVGDALAGNAIVEQARQFNEAVKIDGIILTKLDADARGGAALSISYVIDAPILFVGVGQGYDDLRPFEKEWFLERIFG----------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3DMD.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -137339 for 2147 contacts (-64.0/contact) +
2D Compatibility (PS) -29409 + (NN) -15560 + (LL) 9508
1D Compatibility (HY) -20400 + (ID) 5650
Total energy: -198850.0 ( -92.62 by residue)
QMean score : 0.571
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