Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTKTLPEDFIFGGATAAYQAEGATNTDGKGRVAWDTYL----EENYWYTAEPASDFYNRYPVDLELSEKFGVNGIRISIAWSRIFPNGYGEVNPKGVEYYHKLFAECHKRHVEPFVTLHHFDTPEVLHKDGDFLNRKTIDYFVDYAEYCFKEF-PEVKYWTTFNEIGPIGDGQYLVGKFPPGIKYDFEKVFQSHHNMMVAHARAVKLFKDGGYQG-EIGVVHALPTKYPFDPSNPEDVRAAELEDIIHNKFILDATYLGKYSRETMEGVQHILSVNGGKLNITDEDYAILDAAKDLNDFLGINYYMSDWMRGYDGESEITHNATGDKGGSKYQLKGVGQREFDVDVPRTDWDWMIYPQGLYDQIMRVVKDYPNYHKIYITENGLGYKDEFIESEKTVHDDARIDYVRQHLNVIADAIKDGANVKGYFIWSLMDVFSWSNGYEKRYGLFYVDFETQERYPKKSAYWYKELAETKEIK |
3CMJ Chain:A ((24-457)) | --KKFPEGFLWGAATSSYQIEGAWNEDGKGESIWDRFTRIPGKIKNGDSGDVACDHYHRYEQDLDLMRQLGLKTYRFSIAWARIQPDSSRQINQRGLDFYRRLVEGLHKRDILPMATLYHWDLPQWVEDEGGWLSRESASRFAEYTHALVAALGDQIPLWVTHNEPMVTVWAGYHMGLFAPGLK-DPTLGGRVAHHLLLSHGQALQAFRALSPAGSQMGITLNFNTIYPVS-AEPADVEAARRMHSFQNELFLEPLIRGQYNQATLMAYPNLPEF------IAPEDMQTISAPI---DFLGVNYYNP--MR------------------VKSSPQPPGIEVVQVESPVTAMGWEIAPEGLYDLLMGITRTYGKL-PIYITENGAAFDDQPDQSGQ-VNDPQRVGYFQGHIGAARRALADGVDLRGYYAWSLLDNFEWAEGYSKRFGIIYVDFETQQRTLKQSAQWYRDV------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CMJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -191199 for 3803 contacts (-50.3/contact) +
2D Compatibility (PS) -45005 + (NN) -11980 + (LL) 620
1D Compatibility (HY) -27600 + (ID) 7700
Total energy: -282864.0 ( -74.38 by residue)
QMean score : 0.650
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