Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLLLKKHTEDISSVYEIRERLGSGAFSEVVLAQERGSAHLVALKCIPKKALRGKEALVENEIAVLRRISHPNIVALEDVHESPSHLYLAMELVTGGELFDRIMERGSYTEKDASHLVGQVLGAVSYLHSLGIVHRDLKPENLLYATPFEDSKIMVSDFGLSKIQ-AGNMLGTACGTPGYVAPELLEQKPYGKAVDVWALGVISYILLCGYPPFYDESDPELFSQILRASYEFDSPFWDDISESAKDFIRHLLERDPQKRFTCQQALRHLWISGDTAF---DRDILGSVSEQIRKNFARTHWKRAFNATSFLRHIRKLGQIPEGEGASEQGMARHSHSGLRAGQPPKW |
3LIJ Chain:A ((31-332)) | ------KKGHLSEMYQRVKKLGS---GEVLLCRDKVTHVERAIKIIRK----SSNSKLLEEVAVLKLLDHPNIMKLYDFFEDKRNYYLVMECYKGGELFDEIIHRMKFNEVDAAVIIKQVLSGVTYLHKHNIVHRDLKPENLLLESKEKDALIKIVDFGLSAVFENQKKMKERLGTAYYIAPEVLRK-KYDEKCDVWSIGVILFILLAGYPPFGGQTDQEILRKVEKGKYTFDSPEWKNVSEGAKDLIKQMLQFDSQRRISAQQALEHPWIKEMCSKKES-LPSLANAIENMRKFQNSQKLAQAALLYMASKLTSQEETKELTDIFRHIDKNGDGQLDRQELIDGYS |
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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) -172770 for 2149 contacts (-80.4/contact) +
2D Compatibility (PS) -30790 + (NN) -16870 + (LL) 1440
1D Compatibility (HY) -26400 + (ID) 5800
Total energy: -251190.0 ( -116.89 by residue)
QMean score : 0.503
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