Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRVLLTGAAGFIGSRVDAALRAAGHDVVGVDALLPAAHGPNPVLPPGCQRVDVRDASALAPLLA--GVDLVCHQAAMVGAGVNAADAPAYGGHNDFATTVLLAQMFAAGVRRLVLASSMVVYGQGRYDCPQHGPVDPLPRRRADLDNGVFEHRCPGCGEPVIWQLVDEDAPLRPRSLYAASKTAQEHYALAWSEASGGSVVALRYHNVYGPGMPR------DTPYSGVAAIFRSAVEKGKPPKVFE------DGGQMRDFVHVDDVAAANLAAVHLGEADRDGFTAVNVCSGRPISILQVATAICDARGGSMSPAITGHYRSGDVRHIVADPARAARVLGFRAAVDPGEGLREFAFAPLR |
4WOK Chain:A ((12-325)) | NNVLVVGGAGFIGSHTAKLLAGQGYAPVVYDNLSTGH-QS-AVRWGDFVEGDILDQARLVETMEKYAPVAVIHFAASAYVGESVEDPAKYYRNNVGGTQSLLDACRLTRTQNVIFSSSCATYGVPS------------------------------------RLPIGEGEAQNPINPYGRTKLIAEHMLADYAVAYGLRYVALRYFNASGADIDGELGEKHDPETHLIPRAMMAAAGRLDVLEVYGDDYETPDGTCIRDYIHVTDLARAHVLAVEHLK-EAGGNLAVNLGTGRGTSIREIVQSIGRLTGRSVPVAM-RARRAGDPPALYADPALAAEKLGFHTVYSDLDTIIRT------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4WOK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -177409 for 2626 contacts (-67.6/contact) +
2D Compatibility (PS) -32727 + (NN) -14744 + (LL) 1288
1D Compatibility (HY) -8000 + (ID) 4300
Total energy: -235892.0 ( -89.83 by residue)
QMean score : 0.436
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