Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSDAILGEQLAESSDFIAAIDQGTTSTRCMIFDHHGAEVARHQLEHEQILPRAGWVEHNPVEIWERTASVLISVLNATNLSPKDIAALGITNQRETTLVWNRHTGRPYYNAIVWQDTRTDRIASALDRDGRGNLIRRKAGLPPATYFSGGKLQWILENVDGVRAAAENGDALFGTPDTWVLWNLTGGPRGGVHVTDVTNASRTMLMDLETLDWDDELLSLFSIPRAMLPEIASSAPSEPYGVTLATGPVGGEVPITGVLGDQHAAMVGQVCLAPGEAKNTYGTGNFLLLNTGETIVRSNNGLLTTV-CYQFGNAKPVYALEGSIAVTGSAVQWLRDQLGIISGAAQSEALARQVPDNGGMYFVPAFSGLFAPYWRSDARGAIVGLSRFNTNAHLARATLEAICYQSRDVVDAMEADSGVRLQVLKVDGGITGNDLCMQIQADVLGVDVVRPVVAETTALGVAYAAGLAVGFWAAPSDLRANWREDKRWTPTWDDDERAAGYAGWRKAVQRTLDWVDVS |
1BOT Chain:Z ((2-496)) | ------------EKKYIVALDQGTTSSRAVVMDHDANIISVSQREFEQIYPKPGWVEHDPMEIWATQSSTLVEVLAKADISSDQIAAIGITNQRETTIVWEKETGKPIYNAIVWQCRRTAEICEHLKRDGLEDYIRSNTGLVIDPYFSGTKVKWILDHVEGSRERARRGELLFGTVDTWLIWKMT---QGRVHVTDYTNASRTMLFNIHTLDWDDKMLEVLDIPREMLPEVRRS--SEVYGQTNIGGKGGTRIPISGIAGDQQAALFGQLCVKEGMAKNTYGTGCFMLMNTGEKAVKSENGLLTTIACGPTGEVN--YALEGAVFMAGASIQWLRDEMKLINDAYDSEYFATKVQNTNGVYVVPAFTGLGAPYWDPYARGAIFGLTRGVNANHIIRATLESIAYQTRDVLEAMQADSGIRLHALRVDGGAVANNFLMQFQSDILGTRVERPEVREVTALGAAYLAGLAVGFWQNLDELQEKAVIEREFRPGIETTERNYRYAGWKKAVKRAMAW---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1BOT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -248630 for 4765 contacts (-52.2/contact) +
2D Compatibility (PS) -53413 + (NN) -25738 + (LL) 956
1D Compatibility (HY) -48000 + (ID) 13050
Total energy: -387875.0 ( -81.40 by residue)
QMean score : 0.450
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