Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSFFKRLKDKFATNKENEEVKSLREEQGQDKLEDTHSEGSTQDVNDLAENAEVKKKPRKLSEADFDDDGLISIEDFEEIEAQKMGAKFKAGLEKSRQNFQEQLNNLIARYRKVDEDFFEALEEM---LITADVGFNTVMTLTEELRMEAQRRNIQDTEDLREVIVEKIVEIYHQEDDNSEAMNIEDGRLNVILMVGVNGVGKTTTIGKLAYRYKMEGKKVMLAAGDTFRAGAIDQLKVWGERVGVDVISQSEGSDPAAVMYDAINAAKNKGVDILICDTAGRLQNKTNLMQELEKVKRVINRAVPDAPHEALLCLDATTGQNALSQARNFKEVTNVTGIVLTKLDGTAKGGIVLAIRNELHIPVKYVGLGEQLDDLQPFNPESYVYGLFADMIEQNDEITTVENDQIVTEEKDDNHGAK |
| 1NG1 Chain:A ((8-285)) | -------------------------------------------------------------------------------------------------RLQEAIGRLRGRGRITEEDLKATLREIRRALMDADVNLEVARDFVERVREEALGKQVLESLTPAEVILATVYEALKEALGGEARLPVLKDR-NLWFLVGLQGSGKTTTAAKLALYYKGKGRRPLLVAADTQRPAAREQLRLLGEKVGVPVLEVMDGESPESIRRRVEEKARLEARDLILVDTAGRLQIDEPLMGELARLKEVLG------PDEVLLVLDAMTGQEALSVARAFDEKVGVTGLVLTKLDGDARGGAALSARHVTGKPIYFAGVSEKPEGLEPFYPE------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1NG1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -122526 for 2288 contacts (-53.6/contact) +
2D Compatibility (PS) -30246 + (NN) -15366 + (LL) 8828
1D Compatibility (HY) -16400 + (ID) 5400
Total energy: -181110.0 ( -79.16 by residue)
QMean score : 0.584
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