Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPHWAEERHRRESNYVALEAGLDEGESIRRSEHSRSGCGADAGCWRCRGGPGRGSRRSRRSRGPGGTAGPVDPPAVDLLAPPPDPLALPPALDPLAPPPPDPLAPPPPDPLAVPVAAGPVAGQDPTSFVGPPPFRPPTFNPVDGAMVGVAKPIVINFAVPIADRAMAESAIHISSIPPVPGKFYWMSPTQVRWRPFEFWPANTAVNIDAA--------------GTKSSFRTGDSLVATADDATHQMTITRNGVVQKTFPMSMGMVSGGHQTPNGTYYVLEKFATVVMDSSTYGVPVNSAQGYKLTVSDAVRIDNSGNFVHSAPWSVADQGKRNVTHGCINLSPANAKWFYDNFGSGDPVVVKNSVG-TYNKNDGAQDWQI |
3VYP Chain:A ((13-257)) | --------------------------------------------------------------------------------------------------------------------------------------TMPYVMPGDGEVVGVGEPVAIRFDENIADRGAAEKAIKITTNPPVEGAFYWLNNREVRWRPEHFWKPGTAVDVAVNTYGVDLGEGMFGEDNVQTHFTIGDEVIATADDNTKILTVRVNGEVVKSMPTSMGKDS--TPTANGIYIVGSRYKHIIMDSSTYGVPVNSPNGYRTDVDWATQISYSGVFVHSAPWSVGAQGHTNTSHGCLNVSPSNAQWFYDHVKRGDIVEVVNTVGGTLPGIDGLGDWNI |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VYP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -68057 for 1804 contacts (-37.7/contact) +
2D Compatibility (PS) -24583 + (NN) -9384 + (LL) 968
1D Compatibility (HY) -17600 + (ID) 5800
Total energy: -124456.0 ( -68.99 by residue)
QMean score : 0.466
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