Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSSPFSPRSPRTLRGLGALALCGGFVAPAPAAFLEDGSARLEARTVYFNRDFRDGSSANPQGASKREEAAQGFILDLRSGYTEGALGFGVDTLAMLGIKLDSSPADSNSGLLPSSGHDPRRSVDQYAKAGVAGKMRFSQTQFRYGAMLPDMPLLKYNDGRLLPTLFHGAQLTSEEIAGLRFSATRLERYTARDSSDAQDIRLHCKNKRYACDTTGNRFDAYQLDYQVN-DGLLLQYAQGGLRNVYRQRYLGAVGKRQVGAGKLSADLRWFDSEDAGAARAGKIDNRALSLLLAYAQGGHTLSAGWQRMNGASSMPYLDG-SNPYLANYLQVNDFANPEERSWQLRYDFDLRSVGVPGLSFMTRYVNGDHIRLAN-GDEGKEWERDIELKYIVQSGRFKDLSLRLRNATYRTDFERSARDVDEVRLIASYNLSLF |
3SZD Chain:B ((7-397)) | ------------------------------QGFLEDAKASLTARNFHLHRNFVG-------G--KAEEWTQSFILDARSGFTQGSVGFGLDVLGLYSLKLDGG-------------------ADDFGRLAVAGKLRVSNSELKIGEWMPVLPILRSDDGRSLPQTFRGGQLSANEIAGLTLYAGQFRGNSPRNDASMQDMSLFGRPA-----ATSDRFDFAGGEYRFNGERSLLGLWNAELKDIYRQQYLQLQHSQPLGDWLLGANLGGFRGRDAGSARAGKLDNRTVSALFSARYGLHTLYLGLQKVSGDDGWMRVNGTSGGTLANDSYNASYDNPGERSWQLRYDFDFVGLGLPGLTFMTRYLHGDHVRLAGVTDDGSEWGRESELGYTLQSGAFKRLNVRWRNSSQRRDWGSNTR-FDENRLIVSYPLSLL |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SZD.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -9204 for 2922 contacts (-3.1/contact) +
2D Compatibility (PS) -36852 + (NN) 2360 + (LL) 628
1D Compatibility (HY) -28000 + (ID) 8200
Total energy: -79268.0 ( -27.13 by residue)
QMean score : 0.195
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