Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKRIRKSLIFVLGVVTLICLCACTKQSQQKNG-LSVVTSFYPVYSITKAVSGDLNDIKM-IRSQSGIHGFEPSSSDVAAIYDADLFLYHSHTLEAWARRLEPSLHHSKVSVIEASKGMTLDKVHGLEDVEAEKGVDESTL-YDPHTWNDPVKVSEEAQLIATQLAKKDPKNAKVYQKNADQFSDKAMAIAEKYKPKFKAAKSKYFVTSHTAFSYLAKRYGLTQLGIAGVSTEQEPSAKKLAEIQEFVKTYKVKTIFVEEGVSPKLAQAVASATRVKIASLSPLEAVPKNNKD----YLENLETNLKVLVKSLNQ |
2O1E Chain:A ((21-300)) | --------------------------------KLHVVTTFYPMYEFTKQIVKDKGDVDLLIPSSVEPHDWEPTPKDIANIQDADLFVYNSEYMETWVPSAEKSMGQGHAVFVNASKGIDLMEG----------------HAMDPHVWLSPVLAQKEVKNITAQIVKQDPDNKEYYEKNSKEYIAKLQDLDKLYRTTAKKAEKKEFITQHTAFGYLAKEYGLKQVPIAGLSPDQEPSAASLAKLKTYAKEHNVKVIYFEEIASSKVADTLASEIGAKTEVLNTLEGLSKEEQDKGLGYIDIMKQNLDALKDSLLV |
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General information:
TITO was launched using:
| RESULT:
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Template: 2O1E.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -105101 for 2083 contacts (-50.5/contact) +
2D Compatibility (PS) -27918 + (NN) -11129 + (LL) 3740
1D Compatibility (HY) -18000 + (ID) 5250
Total energy: -163658.0 ( -78.57 by residue)
QMean score : 0.572
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