Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLSIGGLVDDASLTKFENPTIVEFRHIKKFITEYNALDHRPFTEKNDIEVAHEAQKNAAIVKGNDLYRFFSKLKQWAGADEKQNFRDLEEDFSLESFTHCTDFNPIEIYAYCISRSINNMENGVFLKYFLSYPIKYEKHQAEKIRESFERGLKKSLPRHVFDDEKTAKTFKVELRASEPCAYAISALKSYGFFKSEKLDKPVYYGVFDFGGGTTD-----FDFGKWEKRASPKFAYKMTHFSSGGDKYLGGENLLELLAWETYAKNFQTLKEKDIVIAKPNYDRIDTQLFGSFMQNSSGVRLNLQTIASQLRPFLENLDANIIEAIEENENFEIKGFEKDFKAMLFDRNGVETECDLKVDCKELLNLLKGKIEDGVANFFAGFSKVMAENIDDQCRAFHIFLGRNVSRSALVKQAFENAKEKQLKDYHQKTSKNDFKFIIYEPLGTEKSDKQILELTGEDVSNTPAYLKPTCKTGVAFGLLESRDKAQGIEMPSISSNPVFKYDLGIEIEGKFHAKIHRDSLKPNEY |
4J8F Chain:A ((181-290)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NEPTAAAIA----YGLDRTGKGERNVL--IFDLGGGTFDVSILTIDDGIFEVKA------------TAGDTHLGGEDFDNRLV-NHFVEEFKRKHKKDISQNKRAVRRLRTACERAKRTLSSSTQASLEIDSLFEGIDFYTSITRARFEELCSDLFRSTLEPVEKALRDAKLDKAQIHDLVLVGGSTRIPKVQKLLQDFFNGRDLNKSINPDEAVAYGAAVQAAILMGLESDLEIDNEGVIEADTDAPQEMGDENAEITEAMMDEANEKKGAAIDALNDGELQKAIDLFTDAIKLNPRLAILYAKRASVFVKLQKPNAAIRDCDRAIEINPDSAQPYKWRGKAHRLLGHWE |
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General information:
TITO was launched using:
| RESULT:
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Template: 4J8F.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -16330 for 555 contacts (-29.4/contact) +
2D Compatibility (PS) -10751 + (NN) 1675 + (LL) 13720
1D Compatibility (HY) -1600 + (ID) 1850
Total energy: -15136.0 ( -27.27 by residue)
QMean score : 0.420
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