Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLEVAAEPTRRRLLQLLAPGERTVTQLASQFTVTRSAISQHLGMLAEAGLVTARKQGRERYYRLDERGVLRLRALMESFWSDELDRLVADAAHYPPSQGDCAMPFEKAVVVPLDPTSTFALITQPDRLRRWMAVA------ARIELRTGGAYRWTVTP--G--HSAAGTVIDVDPGKRVVFTWGWEDHGDP---PPGGSTVTITLTPVDGGTEVRLVHDGLTA-Q-----QAARHAKGWNHFLDRLVV-AGQRGDAGPDEWAAAPDPLDELSCAEATLAVLQHVLRGIGASDLTRQTPCTEYDVSQLADHLLRSLAIIGAAAGAQLAPRDVDAPLETQVADAAQAVMEAWRRRGLAGTVELNSNQVPATVPVGILCLEFLVHAWDFAIATGSQVIASEPVSEYVLAVAGKVITPATRNSAGFAAPAAVGSFAPVLDRLIAFTGRQPTAGHVSAT |
2LDK Chain:A ((8-167)) | --------------------------------------------------------------------------------------------------DVEALSFSIVAEFDADVKRVWAIWEDPRQLERWWGPPTWPATFETHEFTVGGKAAYYMTGPDGTKARGWWQFTTIEAPDHLEFDDGFADEHGAPVDELGVTHATVKLEPLENRTRMTIIST-FESEEQMQKMAEMGMEEGMREAIEQIDAVL-SEPANALEH-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2LDK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -62645 for 929 contacts (-67.4/contact) +
2D Compatibility (PS) -15325 + (NN) -9825 + (LL) 22792
1D Compatibility (HY) -5200 + (ID) 1100
Total energy: -71303.0 ( -76.75 by residue)
QMean score : 0.327
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