Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSAAIAEPTSHDPDSGGHFGGPSGWGGRYVPEALMAVIEEVTAAYQKERVSQDFLDDLDRLQANYAGRPSPLYEATRLSQHAGSARIFLKREDLNHTGSHKINNVLGQALLARRMGKTRVIAETGAGQHGVATATACALLGLDCVIYMGGIDTARQALNVARMRLLGAEVVAVQTGSKTLKDAINEA-FRDWVANADNTYYCFGTAAGPHPFPTM---VRDFQRIIGMEARVQIQGQAGRLPDAVVACVGGGSNAIGIFHAFLDDPGVRLVGFEAAGDGVETGRHAATFTAGSPGAFHGSFSYLLQDEDGQTIESHSISAGLDYPGVGPEHAWLKEAGRVDYRPITDSEAMDAFGLLCRMEGIIPAIESAHAVAGALKLGVELGRGAVIVVNLSGRGDKDVETAAKWFGLLGND |
2O2E Chain:A ((29-404)) | ----------------------------YVPEALMAVIEEVTAAYQKERVSQDFLDDLDRLQANYAGRPSPLYEATRLSQHAGSARIFLKREDLNHTGSHKINNVLGQALLARRMGKTRVIAETGAGQHGVATATACALLGLDCVIYMGGIDTARQALNVARMRLLGAEVVAVQTGSKTLKDAINEAFRDWVANA-DNTYYCFGTA---AGPHPFPTMVRDFQRIIGMEARVQIQGQAGRLPDAVVACVGGGSNAIGIFHAFLDDPGVRLVGFEAAG-------------------------------------------------------------RVDYRPITDSEAMDAFGLLCRMEGIIPAIESAHAVAGALKLGVELGRGAVIVVNLSGRGDKDVETAAKWF------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2O2E.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -191843 for 2709 contacts (-70.8/contact) +
2D Compatibility (PS) -34642 + (NN) -23207 + (LL) 1352
1D Compatibility (HY) -39600 + (ID) 14900
Total energy: -302840.0 ( -111.79 by residue)
QMean score : 0.557
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