Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAIVSAEKFVQAARDNGYAVGGFNTNNLEWTQAILRAAEAKKAPVLIQTSMGAAKYMGGYKLCKQLIETLVESMGITVPVAIHLDHGH-YDDALECIEVGYTSIMFDGSHLPVEENLEKAREVVAKAHAKGISVEAEVGTIGGEEDGIVGKGELA----PIEDAKAMVETGIDFLAAGIGNIHGPYPANWE-GLDLDHLKKLTEAVPGFPIVLHGGSGIPDDQ---------------------IQEAIKLGVAKVNVNTECQLAFCQATRDYAVEFNANEAEYMKKKLFDPRKFLKPGFDAITEAVEERIDVFGSANKA |
3C52 Chain:A ((2-306)) | --LVKGNEILLKAHKEGYGVGAFNFVNFEMLNAIFEAGNEENSPLFIQASEGAIKYMG-IDMAVGMVKIMCERYP-HIPVALHLDHGTTFESCEKAVKAGFTSVMIDASHHAFEENLELTSKVVKMAHNAGVSVEAELGRLMGI-----------VLVNPKEAEQFVKESQVDYLAPAIGTSHGAFKFKGEPKLDFERLQEVKR-LTNIPLVLHGASAIPDNVRKSYLDAGGDLKGSKGVPFEFLQESVKGGINKVNTDTDLRIAFIAEVRKVANE---------DKSQFDLRKFFSPAQLALKNVVKERMKLLGSANKI |
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General information:
TITO was launched using:
| RESULT:
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Template: 3C52.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -111434 for 2329 contacts (-47.8/contact) +
2D Compatibility (PS) -30410 + (NN) -21683 + (LL) 1692
1D Compatibility (HY) -23600 + (ID) 5400
Total energy: -190835.0 ( -81.94 by residue)
QMean score : 0.629
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