Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGQEVSSVNNTKNEHHKTNKKSLKGGNERHEMKESSVGISKKIVENSFNNSKLRPGMFIQNSNVVFNEQYKGIKILGKGSFGEVILSRDKHTGHEYAIKVISKKHVKRKTDKESLLREVELLKMLDHINIMKLYEFFEDNNYYYLVSDVYTGGELFDEIISRKRFYEIDAARIIKQILSGITYMHKNNVVHRDLKPENILLETKNKEDMIIKIIDFGLSTHFEYSKKMKDKIGTAYYIAPDVLHGTYDEKCDIWSCGVILYILLSGCPPFNGSNEYDILKKVEAGKYTFDLPQFKKISDKAKDLIKKMLMYTSAVRISARDALEHEWIKMMTSKDNLNIDIPSLELSIANIRQFQSTQKLAQAALLYMGSKLTTIDETKELTKIFKKMDKNGDGQLDRNELIIGYKELLKLKGEDTSDLDNAAIEYEVDQILNSIDLDQNGYIEYSEFLTVSIDRKLLLSTERLEKAFKLFDKDGSGKISANELAQLFGLSDVSSECWKTVLKEVDQNNDGEIDFKEFRDMLVKLCNY |
3NYV Chain:A ((19-483)) | ------------------------------------------------------------HSTAIFSDRYKGQRVLGKGSFGEVILCKDKITGQECAVKVISKRQVKQKTDKESLLREVQLLKQLDHPNIMKLYEFFEDKGYFYLVGEVYTGGELFDEIISRKRFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENLLLESKS-KDANIRIIDFGLSTHFEASKKMKDKIGTAYYIAPEVLHGTYDEKCDVWSTGVILYILLSGCPPFNGANEYDILKKVEKGKYTFELPQWKKVSESAKDLIRKMLTYVPSMRISARDALDHEWIQTYTK------DVPSLDNAILNIRQFQGTQKLAQAALLYMGSKLTSQDETKELTAIFHKMDKNGDGQLDRAELIEGYKELMR----DASMLDASAVEHEVDQVLDAVDFDKNGYIEYSEFVTVAMDRKTLLSRERLERAFRMFDSDNSGKISSTELATIFGVSDVDSETWKSVLSEVDKNNDGEVDFDEFQQMLLKLCG- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NYV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -224496 for 3614 contacts (-62.1/contact) +
2D Compatibility (PS) -50140 + (NN) -30745 + (LL) 3168
1D Compatibility (HY) -56000 + (ID) 17100
Total energy: -375313.0 ( -103.85 by residue)
QMean score : 0.493
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