Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTTTTTTISGGILPKEYQDLRDTVADFARTVVAPVSAKHDAEHSFPYEIVAKMGEMGLFGLPFPEEYGGMGGDYFALSLVLEELGKVDQSVAITLEAAVGLGAMPIYRFGTEEQKQKWLPDLTSGRALAGFGLTEPGAGSDAGSTRTTARLEGDEWIINGSKQFITNSGTDITSLVTVTAVTGTTGTAADAKKEISTIIVPSGTPGFTVEPVYNKVGWNASDTHPLTFADARVPRENLLGARGSGYANFLSILDEGRIAIAALATGAAQGCVDESVKYANQRQSFGQPIGAYQAIGFKIARMEARAHVARTAYYDAAAKMLAGKPFKKEAAIAKMISSEAAMDNSRDATQIHGGYGFMNEYPVARHYRDSKVLEIGEGTTEVQLMLIARSLGLQ |
3MDE Chain:A ((6-378)) | ------------LTEQQKEFQATARKFAREEIIPVAAEYDRTGEYPVPLLKRAWELGLMNTHIPESFGGLGLGIIDSCLITEELAYGCTGVQTAIEANT-LGQVPLIIGGNYQQQKKYLGRMTEEPLMCAYCVTEPGAGSDVAGIKTKAEKKGDEYIINGQKMWITNGGKANWYFLLARS---DPDPKAPASKAFTGFIVEADTPGVQIGRKEINMGQRCSDTRGIVFEDVRVPKENVLTGEGAGFKIAMGTFDKTRPPVAAGAVGLAQRALDEATKYALERKTFGKLLAEHQGISFLLADMAMKVELARLSYQRAAWEIDSGRRNTYYASIAKAYAADIANQLATDAVQVFGGNGFNTEYPVEKLMRDAKIYQIYEGTAQIQRIIIAR----- |
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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) -120140 for 3373 contacts (-35.6/contact) +
2D Compatibility (PS) -41626 + (NN) -24715 + (LL) 728
1D Compatibility (HY) -19200 + (ID) 6550
Total energy: -211503.0 ( -62.70 by residue)
QMean score : 0.465
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