Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MLKVKRLEEFNTCYNSNQLEKMAFFQCREEVEKVKCFLEKNSGDQDSRSGHNEAKEVWSNADLTERMPVKSKRTSALAVDIPAPPAPFDHRIVTAKQGAVNSFYTVSKTEILGGGRFGQVHKCEETATGLKLAAKIIKTRGMKDKEEVKNEISVMNQLDHANLIQLYDAFESKNDIVLVMEYVDGGELFDRIIDESYNLTELDTILFMKQICEGIRHMHQMYILHLDLKPENIL--CVNRDAKQIKIIDFGLARRYKPREKLKVNFGTPEFLAPEVVNYDFVSFPTDMWSVGVIAYMLLSGLSPFLGDNDAETLNNILACRWDLEDEEFQDISEEAKEFISKLLIKEKSWRISASEALKHPWLSDHKLHSRLNAQKKKNRGSDAQDFVTK |
| 3HX4 Chain:A ((57-312)) | --------------------------------------------------------------------------------------------------------------VLGKGSFGEVILCKDKITGQECAVKVISK----DKESLLREVQLLKQLDHPNIMKLYEFFEDKGYFYLVGEVYTGGELFDEIISRK-RFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENLLLESKSKDA-NIRIIDFGLSTHFEASKKMKDKIGTAYYIAPEVLHGTYDE-KCDVWSTGVILYILLSGCPPFNGANEYDILKKVEKGKYTFELPQWKKVSESAKDLIRKMLTYVPSMRISARDALDHEWIQTYTKEQISVDVPSLDNAILNIRQFQG |
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General information:
TITO was launched using:
| RESULT:
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Template: 3HX4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -168087 for 1898 contacts (-88.6/contact) +
2D Compatibility (PS) -26275 + (NN) -8616 + (LL) 7820
1D Compatibility (HY) -24800 + (ID) 5150
Total energy: -225108.0 ( -118.60 by residue)
QMean score : 0.526
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