Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLSIGGLVDDASLTKFENPTIVEFRHIKKFITEYNALDHRPFTEKNDIEVAHEAQKNAAIVKGNDLYRFFSKLKQWAGADEKQNFRDLEEDFSLESFTHCTDFNPIEIYAYCISRSINNMENGVFLKYFLSYPIKYEKHQAEKIRESFERGLKKSLPRHVFDDEKTAKTFKVELRASEPCAYAISALKSYGFFKSEKLDKPVYYGVFDFGGGTTD-----FDFGKWEKRASPKFAYKMTHFSSGGDKYLGGENLLELLAWETYAKNFQTLKEKDIVIAKPNYDRIDTQLFGSFMQNSSGVRLNLQTIASQLRPFLENLDANIIEAIEENENFEIKGFEKDFKAMLFDRNGVETECDLKVDCKELLNLLKGKIEDGVANFFAGFSKVMAENIDDQCRAFHIFLGRNVSRSALVKQAFENAKEKQLKDYHQKTSKNDFKFIIYEPLGTEKSDKQILELTGEDVSNTPAYLKPTCKTGVAFGLLESRDKAQGIEMPSISSNPVFKYDLGIEIEGKFHAKIHRDSLKPNEY |
1S3X Chain:A ((174-265)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NEPTAAAIA----YGLDRTGKGERNVL--IFDLGGGTFDVSILTIDDGIFEVKA------------TAGDTHLGGEDFDNRLV-NHFVEEFKRKHKKDISQNKRAVRRLRTACERAKRTLSSSTQASLEIDSLFEGIDFYTSITRARFEELCSDLFRSTLEPVEKALRDAKLDKAQIHDLVLVGGSTRIPKVQKLLQDFFNGRDLNKSINPDEAVAYGAAVQAAILMG--------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1S3X.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -9225 for 460 contacts (-20.1/contact) +
2D Compatibility (PS) -8929 + (NN) -95 + (LL) 22372
1D Compatibility (HY) -2800 + (ID) 1700
Total energy: -377.0 ( -0.82 by residue)
QMean score : 0.395
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