Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MFVLNDDERVIVETAAAFAGKRLAPHALEWDAAKHFPVDVLREAAELGMAAIYCRDDVGGSGLRRLDGVRIFEQLAIADPVTAAFLSIHNMCAWMIDSFGTDEQRKDWIPRLATMGVIASYCLTEPGAGSDAGALSTRAVRHGSGKGGDYVLDGVKQFISGAAASDVYVVMART----GAEGPRGVSAFIVEKGTPGLSFGAPEAKMGWHAQPTAQVVLDGVRVPAEAMLGGADGEGAGFGIAMSGLNGGRLNIAACSLGGAQAAFDKAGAYVRDRQAFGGSLLDEPTVRFTLADMATGLQTSRMLLWRAASALDDDDADKVELCAMAKRYVTDTCFEVADQALQLHGGYGYLREYGLEKIVRDLRVHRILEGTNEIMRLVIGRAEAARFRATV |
3MDE Chain:B ((4-385)) | -FELTEQQKEFQATARKFAREEIIPVAAEYDRTGEYPVPLLKRAWELGLMNTHIPESFGGLGLGIIDSCLITEELAYGCTGVQTAIEANTLGQVPLIIGGNYQQQKKYLGRMTEEPLMCAYCVTEPGAGSDVAGIKTKAEK----KGDEYIINGQKMWITNGGKANWYFLLARSDPDPKAPASKAFTGFIVEADTPGVQIGRKEINMGQRCSDTRGIVFEDVRVPKENVL---TGEGAGFKIAMGTFDKTRPPVAAGAVGLAQRALDEATKYALERKTFGKLLAEHQGISFLLADMAMKVELARLSYQRAAWEIDSGRRNTY-YASIAKAYAADIANQLATDAVQVFGGNGFNTEYPVEKLMRDAKIYQIYEGTAQIQRIIIAREHIGRYK--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3MDE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -217364 for 3405 contacts (-63.8/contact) +
2D Compatibility (PS) -41427 + (NN) -20434 + (LL) 172
1D Compatibility (HY) -25600 + (ID) 6500
Total energy: -311153.0 ( -91.38 by residue)
QMean score : 0.521
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