Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRKTIFAFLTGLMMFGTITAASASPDSKNQTAKKPKVQTGIDTLLPDYKKQLKGKRIGLITNPAGVNTSLKSSVDILYENPDIKLTALFGPEHGVRGDAQAGDEVGSYIDEKTGVPVYSLYGKTKKPTPEMLKNVDILMFDIQDVGTRFYTYIYTMAYAMEAAKENGIPFMVLDRPNPQGGNHIEGPILEPEYASFVGLYPIPLKHGMTIGELASLFNKE--FSIDADLTVVKMKHWKRKMDFDDTRLPFVLPSPNMPTVESTFVYPATGLI-EGTNISEGRGTTKPFELIGAPFIKSTELEETLNSLHLPGVTFRAASFTPTFSKHQGTLCHGVQLYVTDRDKFEAVKTGLSVIKTIHDLYPEDFEFLSTGS-----FDKLAGNGWIRTKIENGTSVENIINSYEKTLQQFSKTRKKYLIY |
4K05 Chain:A ((12-398)) | -----------------------------------RIKTGIEVLKEQNFKCLEGKRVGLITNPTGVDNHLISTIDILHEAPNVNLVALYGPEHGVRGDVHA-------NDSSTGLPVYSLYGKTRKPTPEMLKDIDVLVYDIQDIGCRSFTYISTMGVAMEAAAENNKEFIVLDRPNPIGGLKIEGNVVEDGYISFVSQFKIPYLYGLTCGELALMLNGEQMLSKPCNLHVVKMKGWKRKMDYVQTGLQWIPSSPHIPHPHSAFFYPVSGILGELGYMSIGVGYTIPFQMFAARWVEAEKLADNLNRLHLPGVIFRPMHLKPFYSVGKEEHLQGVQVHIVDFNKASLSEIQFYVMQEVTALYPDRAVFDHADKERFHMFDLVSGSKEIRERFSQRNRWEDVRDYWYKDVDDFRRLSQKYYLY |
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General information:
TITO was launched using:
| RESULT:
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Template: 4K05.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -155134 for 3284 contacts (-47.2/contact) +
2D Compatibility (PS) -39524 + (NN) -18561 + (LL) 2312
1D Compatibility (HY) -36400 + (ID) 8500
Total energy: -255807.0 ( -77.89 by residue)
QMean score : 0.551
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