Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKLIIAALGLTLVLSGCAPKLDSNDKVVQKDDSKAETGIMTKNQISSNYYKTVLPYKASKSRGLVVSNIYSRYDINELESGLMRVSQNKYSPDNYLFQEGQYLDKETLEKWLDRKS-----------------DKNPNGLNPASNGNGEN-----RKPIYLAHILEQDYLKQTDKDTVALGGISIALAMNSVDYYQKEKYGDTYEQPISDSELLAQGKEMSATVLNRIRQTKGLENVPVTIAIYKQGARDAVAPGNYIAYATAN-GDSL-SNWKDIDEKNYVLPSTESAKDHKTDNDNFLNFKKAIEDYYPNFTGVVGRGRYEDGQLAELNIDIPLQFYGEAEIIGFTQYVTDLVGQHIPKTADLQVNISTSDGPAALITRKANEDAATAHIYD |
2QX2 Chain:A ((13-343)) | ----------------------------------------------------------------LLQDNMANSYNGGDFEDGLLNLSKEVFPTDKYLYQDGQFLDKKTINAYLNPKYTKREIDKMSEKDKKDKKANENLGLNPSHEGETNPEKIAEKSPAYLSNILEQDFYG------KNIKGMTIGLAMNSVYYYKKEKDGPTFSKKLDDSEVKKQGKQMASEILSRLRENDDLKDIPIHFAIYKQSSEDSITPGEFITQATAEKSQTKL-EWHNINEKSALLPSSTAADYDENLNNNFKQFNDNLQ-------QAVGKVKFVDKKPQRLVVDLPIDYYGQAETIGITQYVTEQANKYFDKIDNYEIRIKDGNQPRALISKTKDDKEPQVHIYS |
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General information:
TITO was launched using:
| RESULT:
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Template: 2QX2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -87991 for 2237 contacts (-39.3/contact) +
2D Compatibility (PS) -31398 + (NN) -8401 + (LL) 4048
1D Compatibility (HY) -23600 + (ID) 5450
Total energy: -152792.0 ( -68.30 by residue)
QMean score : 0.475
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