Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MFELVDNIAQTAVIKVIGVGGGGGNAVNHMAKNNVEGVEFICANTDAQALKNIAARTVLQLGPGVTKGLGAGANPEVGRQAALEDRERISEVLEGADMVFITTGMGGGTGTGAAPIIAEVAKEMGILTVAVVTRPFPFEGRKRMQIADEGIRALAESVDSLITIPNEKLLTILGKDASLLAAFAKADDVLAGAVRGISDIIKRPGMINVDFADVKTVMSEMGMAMMGTGCASGPNRAREATEAAIRNPLLEDVNLQGARGILVNITAGPDLSLGEYSDVGNIIEQFASEHATVKVGTVIDADMRDELHVTVVATGLGARLEKPVKVVDNTVQGSAAQAAAPAQREQQSVNYRDLDRPTVMRNQSHGSAATAAKLNPQDDLDYLDIPAFLRRQAD |
3WGL Chain:B ((13-315)) | ----------LATLKVIGVGGGGNNAVNRMIDHGMNNVEFIAINTDGQALNLSKAESKIQIGEKLTRGLGAGANPEIGKKAAEESREQIEDAIQGADMVFVTSGMGGGTGTGAAPVVAKIAKEMGALTVGVVTRPFSFEGRKRQTQAAAGVEAMKAAVDTLIVIPNDRLLDIVDKSTPMMEAFKEADNVLRQGVQGISDLIAVGA--NLDFADVKTIMSNQGSALMGIGVSSGENRAVEAAKKAISSPLLE-TSIVGAQGVLMNITGGESLSLFEAQEAADIVQDAADEDVNMIFGTVINPELQDEIVVTVIATGF------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WGL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -232866 for 2850 contacts (-81.7/contact) +
2D Compatibility (PS) -33967 + (NN) -16551 + (LL) 6272
1D Compatibility (HY) -26800 + (ID) 8300
Total energy: -312212.0 ( -109.55 by residue)
QMean score : 0.760
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