Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTERRIIHIDMDYFFAQVEMRDNPKLKGKPVIV---GGKASSRGVVSTASYEARKYGVHSAMPMSQAHKLCPNGYFVTSNFGAYRETSAQIMSIFRSYTDKVEPMSLDEAYLDITELVRPDLPASKIAQYIRKDILEQTHLTASAGVSYNKFLAKLASGMNKPDGLTVIDYQNVHDILMTLDIGDFPGVGKASKKVMHDNGIFNGRDLYEKTEFELIRLFGKRGRG----LYNKARGIDHSEVKSSRVRKSVGTERTFATDVNDDEEILRKVWELSGKTAERLNKLQKSAKTVTVKIKTYQFETLSKQMSLRDSVSSEEDIYNIAYLLYNDLKDPDVPIRLIGVTVGNLEQSTYKNMTIYDFI |
3KHR Chain:B ((3-335)) | -----VLFVDFDYFYAQVEEVLNPSLKGKPVVVCVFSGRFEDSGAVATANYEARKFGVKAGIPIVEAKKILPNAVYLPMRKEVYQQVSSRIMNLLREYSEKIEIASIDEAYLDISDKVRDYREAYNLGLEIKNKILEKEKITVTVGISKNKVFAKIAADMAKPNGIKVIDDEEVKRLIRELDIADVPGIGNITAEKLKKLGI---NKLVDTLSIEFDKLKGMIGEAKAKYLISLARD-EYNEPIRTRVRKSIGRIVTMKRNSRNLEEIKPYLFRAIEESYYKLDK--RIPKAIHVVAVTEDLDIVSRGRTFPHGISKETAYSESVKLLQKILEEDERKIRRIGV------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3KHR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -131979 for 2445 contacts (-54.0/contact) +
2D Compatibility (PS) -35200 + (NN) -13609 + (LL) 2252
1D Compatibility (HY) -23200 + (ID) 5850
Total energy: -207586.0 ( -84.90 by residue)
QMean score : 0.410
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