Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MAKAKFQRTKPHVNIGTIGHVDHGKTTLTAAITKVLHDKFPDLNETKAFDQIDNAPEERQRGITINIAHVEYQTDKRHYAHVDAPGHADYIKNMITGAAQMDGAILVVAATDGPMPQTREHVLLARQVGVPYILVALNKADAVDDEELLELVEMEVRELLAAQEF-DEDAPVVRVSALKALEG---DAKWVASVEELMNAVDESIPDPVRETDKPFLMPVEDVFTITGRGTVVTGRVERGVINVNEEVEIVGIRPSTTKTTVTGVEMFRKLLDQGQAGDNVGLLLRGVKREDVERGQVVTKPGTTTPHTEFEGQVYILSKDEGGRHTPFFNNYRPQFYFRTTDVTGVVTLPEGTEMVMPGDNTNISVKLIQPVAMDEGLRFAIREGGRTVGAGRVTKIIK |
| 4IW3 Chain:B ((46-433)) | ---------LPHVNVGTIGHVDHGKTTLTAALTRVCSEVFG--S------KIDSAPEEKARGITINTAHVEYNSTIRHYAHVDCPGHADYVKNMITGAAQMDGAILVCSAADGPMPQTREHILLSRQVGVPYIVVFLNKADLV--AELLELVEMEVRDLLSTYDFPGDDTPIIIGSARMALEGKDDNEMGTTAVKKLVETLDSYIPEPVRAIDQPFLMPIEDVFSISGRGTVVTGRIERGIVRVQDPLEIVGLR-DTTTTTCTGVEMFRKLLDEGRAGENCGVLLRGTKRDDVERGQVLVKPGSVKPHTKFTAEVYVLSKEEGGRHTPFFKGYRPQFYFRTTDVTGNCELPEGVEMVMPGDNIQMTVTLIKTIAMEDGLRFAIREGGRTVGAGVVAKIIE |
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General information:
TITO was launched using:
| RESULT:
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Template: 4IW3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -169033 for 3070 contacts (-55.1/contact) +
2D Compatibility (PS) -41229 + (NN) -19877 + (LL) 1256
1D Compatibility (HY) -43200 + (ID) 13050
Total energy: -285133.0 ( -92.88 by residue)
QMean score : 0.561
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