Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MKKWSFLVVTVLAFVLVLAGCGASNDKVSGDKDKLKVVTTFYPMYDFTKNVAGDNASIEMLIDAGTEPHDYEPSAKDIAKIEAADVFVYNSEDMETWVPSVLKSLDSKKLTVIDASKGIELVEGTEEEDHDHEHEEGHHHEHDPHVWLSPVLAEQEVTNIQNGLTKADKTNADTYKKNAETYKEKLKTLDNKFKTAFEGAKQRDFVTQHAAFQYLAKEYDLHQVAIAGLSPDQEPSPARLAELQKYVKENNISTIYFEEVASPKVAETLANETGAKLEVLSPIEGITDKEQKKGMDYIAYMEQNLQALQKTIK |
| 2O1E Chain:A ((21-301)) | ---------------------------------KLHVVTTFYPMYEFTKQIVKDKGDVDLLIPSSVEPHDWEPTPKDIANIQDADLFVYNSEYMETWVPSAEKSMGQGHAVFVNASKGIDLMEG---------------HAMDPHVWLSPVLAQKEVKNITAQIVKQDPDNKEYYEKNSKEYIAKLQDLDKLYRTTAKKAEKKEFITQHTAFGYLAKEYGLKQVPIAGLSPDQEPSAASLAKLKTYAKEHNVKVIYFEEIASSKVADTLASEIGAKTEVLNTLEGLSKEEQDKGLGYIDIMKQNLDALKDSLL |
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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) -82979 for 2177 contacts (-38.1/contact) +
2D Compatibility (PS) -28886 + (NN) -11166 + (LL) 2944
1D Compatibility (HY) -27200 + (ID) 7500
Total energy: -154787.0 ( -71.10 by residue)
QMean score : 0.611
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