Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGQEVSSVNNTKNEHHKTNKKSLKGGNERHEMKESSVGISKKIVENSFNNSKLRPGMFIQNSNVVFNEQYKGIKILGKGSFGEVILSRDKHTGHEYAIKVISKKHVKRKTDKESLLREVELLKMLDHINIMKLYEFFEDNNYYYLVSDVYTGGELFDEIISRKRFYEIDAARIIKQILSGITYMHKNNVVHRDLKPENILLETKNKEDMIIKIIDFGLSTHFEYSKKMKDKIGTAYYIAPDVLHGTYDEKCDIWSCGVILYILLSGCPPFNGSNEYDILKKVEAGKYTFDLPQFKKISDKAKDLIKKMLMYTSAVRISARDALEHEWIKMMTSKDNLNIDIPSLELSIANIRQFQSTQKLAQAALLYMGSKLTTIDETKELTKIFKKMDKNGDGQLDRNELIIGYKELLKLKGEDTSDLDNAAIEYEVDQILNSIDLDQNGYIEYSEFLTVSIDRKLLLSTERLEKAFKLFDKDGSGKISANELAQLFGLSDVSSECWKTVLKEVDQNNDGEIDFKEFRDMLVKLCNY |
3LIJ Chain:A ((19-490)) | -------------------------------------------------DLQATPGMFITSKKGHLSEMYQRVKKLGS---GEVLLCRDKVTHVERAIKIIRK------SSNSKLLEEVAVLKLLDHPNIMKLYDFFEDKRNYYLVMECYKGGELFDEIIHRMKFNEVDAAVIIKQVLSGVTYLHKHNIVHRDLKPENLLLESKE-KDALIKIVDFGLSAVFENQKKMKERLGTAYYIAPEVLRKKYDEKCDVWSIGVILFILLAGYPPFGGQTDQEILRKVEKGKYTFDSPEWKNVSEGAKDLIKQMLQFDSQRRISAQQALEHPWIKEMCSKKES---LPSLANAIENMRKFQNSQKLAQAALLYMASKLTSQEETKELTDIFRHIDKNGDGQLDRQELIDGYSKLSG---EEVAVF--PQIESEVDAILGAADFDRNGYIDYSEFVTVAMDRKSLLSKDKLESAFQKFDQDGNGKISVDELASVF-LDHLESKTWKEMISGIDSNNDGDVDFEEFCKMIQKLC-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3LIJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -233221 for 3735 contacts (-62.4/contact) +
2D Compatibility (PS) -49644 + (NN) -25240 + (LL) 2372
1D Compatibility (HY) -50000 + (ID) 13800
Total energy: -369533.0 ( -98.94 by residue)
QMean score : 0.448
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