Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIRHFLRDDDLSPAEQAEVLELAAELKKDPVSRRPLQGPRGVAVIFDKNSTRTRFSFELGIAQLGGHAVVVDSGSTQLGRDETLQDTAKVLSRYVDAIVWRTFGQERLDAMASVATVPVINALSDEFHPCQVLADLQTIAERKGALRGLRLSYFGDGANNMAHSLLLGGVTAGIHVTVAAPEGFLPDPSVRAAAERRAQDTGASVTVTADAHAAAAGADVLVTDTWTSMGQENDGLDRVKPFRPFQLNSRLLALADSDAIVLHCLPAHRGDEITDAVMDGPASAVWDEAENRLHAQKALLVWLLERS |
4NF2 Chain:B ((36-335)) | --KDLLTLEELTQEEIISLIEFAIYLKKN--KQEPLLQGKILGLIFDKHSTRTRVSFEAGMVQLGGHGMFLNGKEMQMQRGETVSDTAKVLSHYIDGIMIRTFSHADVEELAKESSIPVINGLTDDHHPCQALADLMTIYEETNTFKGIKLAYVGDG-NNVCHSLLLASAKVGMHMTVATPVGYRPNEEIVKKALAIAKETGAEIEILHNPELAVNEADFIYTDVWMSMGQEGEE-EKYTLFQPYQINKELVKHAKQTYHFLHCLPAHREEEVTGEIIDGPQSIVFEQAGNRLHAQKALLVSLFKN- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4NF2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -161583 for 2632 contacts (-61.4/contact) +
2D Compatibility (PS) -33914 + (NN) -26952 + (LL) 756
1D Compatibility (HY) -28800 + (ID) 6700
Total energy: -257193.0 ( -97.72 by residue)
QMean score : 0.601
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