Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKSLCLSFFLTFSNPLQALVIELLEEIKTSPHKGTFKAKVLDSKEPRQVLGVYNISPHKKLTLTITHISTAIVYQPLDEKLSLETTLSPNRPTIPRNTQIVFSSKELKEPHSNPIPSLNAPMQKPQNKPSSSQQSPQNFSYPESKLGSKNSKNSLLQPLVTPSKVSPTNEVKTPTNDANPPLKHSSQDQENNLFVAPPTEKTLPNNTSSADASENNESNENRDNVEKQAIRDPNIKEFACGKWVYDDENLQAYRPSILKRVDKDKEITTDITPCDYSTAENKSGKIITPYTKISVHKTEPLEDPQTFEAKNNFAILQARSSTEKCKRARARKDGTTRQCYLIEEPLKQAWESEYEITTQLVKAIYERPKQDDQVEPTFYETSELAYSSTRKSEITRNELNLNEKFMEFVEVYEGHYLNDIIKESSEYKEWVKNHVRFKEGVCMALEIEEQPRAKSTPLSIENSRVVCVKKGNYLFNEV |
1WQB Chain:A ((9-16)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EACGPWEWPCCSGLKCDGSECHPQ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1WQB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -2282 for 19 contacts (-120.1/contact) +
2D Compatibility (PS) -754 + (NN) 427 + (LL) 25864
1D Compatibility (HY) -400 + (ID) 200
Total energy: 22655.0 ( 1192.37 by residue)
QMean score : -0.067
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