Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGCSQSSNVKDFKTRRSKFTNGNNYGKSGNNKNSEDLAINPGMYVRKKEGKIGESYFKVRKLGSGAYGEVLLCREKHGHGEKAIKVIKKSQFDKMKYSITNKIECDDKIHEEIYNEISLLKSLDHPNIIKLFDVFEDKKYFYLVTEFYEGGELFEQIINRHKFDECDAANIMKQILSGICYLHKHNIVHRDIKPENILLENKHSLLNIKIVDFGLSSFFSKDNKLRDRLGTAYYIAPEVLRKKYNEKCDVWSCGVILYILLCGYPPFGGQNDQDIIKKVEKGKYYFDFNDWKNISEEAKELIKLMLTYDYNKRITAKEALNSKWIKKYANNINKSDQKTLCGALSNMRKFEGSQKLAQAAILFIGSKLTTLEERKELTDIFKKLDKNGDGQLDKKELIEGYNILRSFKNELGELKNVEEEVDNILKEVDFDKNGYIEYSEFISVCMDKQILFSEERLRDAFNLFDTDKSGKITKEELANLFGLTSISEQMWNEVLGEADKNKDNMIDFDEFVNMMHKICDNKSS |
3LIJ Chain:A ((19-492)) | -----------------------------------DLQATPGMFITSKKGHLSEMYQRVKKLGS---GEVLLCRDKVTHVERAIKIIRK-----SSNS-------------KLLEEVAVLKLLDHPNIMKLYDFFEDKRNYYLVMECYKGGELFDEIIHRMKFNEVDAAVIIKQVLSGVTYLHKHNIVHRDLKPENLLLESKEKDALIKIVDFGLSAVFENQKKMKERLGTAYYIAPEVLRKKYDEKCDVWSIGVILFILLAGYPPFGGQTDQEILRKVEKGKYTFDSPEWKNVSEGAKDLIKQMLQFDSQRRISAQQALEHPWIKEMCSKKES--LPSLANAIENMRKFQNSQKLAQAALLYMASKLTSQEETKELTDIFRHIDKNGDGQLDRQELIDGYSKLSGEEVAVF--PQIESEVDAILGAADFDRNGYIDYSEFVTVAMDRKSLLSKDKLESAFQKFDQDGNGKISVDELASVF-LDHLESKTWKEMISGIDSNNDGDVDFEEFCKMIQKLCSN--- |
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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) -244478 for 3748 contacts (-65.2/contact) +
2D Compatibility (PS) -49742 + (NN) -26233 + (LL) 1324
1D Compatibility (HY) -50800 + (ID) 13300
Total energy: -383229.0 ( -102.25 by residue)
QMean score : 0.462
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