Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLSIGGLVDDASLTKFENPTIVEFRHIKKFITEYNALDHRPFTEKNDIEVAHEAQKNAAIVKGNDLYRFFSKLKQWAGADEKQNFRDLEEDFSLESFTHCTDFNPIEIYAYCISRSINNMENGVFLKYFLSYPIKYEKHQAEKIRESFERGLKKSLPRHVFDDEKTAKTFKVELRASEPCAYAISALKSYGFFKSEKLDKPVYYGVFDFGGGTTD-----FDFGKWEKRASPKFAYKMTHFSSGGDKYLGGENLLELLAWETYAKNFQTLKEKDIVIAKPNYDRIDTQLFGSFMQNSSGVRLNLQTIASQLRPFLENLDANIIEAIEENENFEIKGFEKDFKAMLFDRNGVETECDLKVDCKELLNLLKGKIEDGVANFFAGFSKVMAENIDDQCRAFHIFLGRNVSRSALVKQAFENAKEKQLKDYHQKTSKNDFKFIIYEPLGTEKSDKQILELTGEDVSNTPAYLKPTCKTGVAFGLLESRDKAQGIEMPSISSNPVFKYDLGIEIEGKFHAKIHRDSLKPNEY |
3GDQ Chain:A ((198-307)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NEPTAAAIA----YGLDKG---ERHVL--IFDLGGGTFDVSILTIDDGIFEVKA------------TAGDTHLGGEDFDNRLVSH-FVEEFKRKHKKDISQNKRAVRRLRTACERAKRTLSSSTQANLEIDSLYEGIDFYTSITRARFEELCADLFRGTLEPVEKALRDAKMDKAKIHDIVLVGGSTRIPKVQRLLQDYFNGRDLNKSINPDEAVAYGAAVQAAILMG--------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3GDQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -16403 for 560 contacts (-29.3/contact) +
2D Compatibility (PS) -10408 + (NN) 732 + (LL) 23196
1D Compatibility (HY) -1600 + (ID) 1900
Total energy: -6383.0 ( -11.40 by residue)
QMean score : 0.464
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