Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDDAFSEEGSAQPRHDAQRPALAPRSDGFDIHTYHPDFVADPYPLLRLIRSRAPVCRDQASIWWISRYADVSACLRDRRFSADPARLGAAGVRQGGASWFGHQQLQPLARFYDNFMLFNDAPRHTRLRRLFAPAFGPDAVRRWEARIEVLVEELLDSLLERREPDLLRDFAEPLTIRVAAELFGFPREDTGQLLPWGRDLAAGLDLAASHGDAGQINRSAVAFSDYLQRQARGWSDGSSRPPSGAAPSILDGAAMLEAG----LGLEDLVAAYAMVFMAAFETTISMVGNATLALLTHPDQLDLLRRCPELAANAVEELLRFDGAVRGGVRCTLEEVEIGGQRIPPGEKVWLSFLAANRDPEMFAAPDRLQLQRANAKQHVAFAHGPHYCLGAYLARLELQCALRGLVRR---RFALASEPTDLRWRRSSVFRTLERLPIVPEGDAQKTCE |
3BUJ Chain:A ((10-391)) | ------------------------------------DVRRDPYPSYHWLLRHDPVHRGAHRVWYVSRFADVRAVLGDERFAR-------TGIRRFWTDLVGPGLL---AEIVGDIILFQDEPDHGRLRGVVGPAFSPSALRRLEPVIAGTVDDLLRPALARGAMDVVDELAYPLALRAVLGLLGLPAADWGAVGRWSRDVGRTLDRGASAEDMRRGHAAIAEFADYVERA-------LARRRREGGEDLL--ALMLDAHDRGLMSRNEIVSTVVTFIFTGHETVASQVGNAVLSLLAHPDQLDLLRRRPDLLAQAVEECLRYDPSVQSNTRQLDVDVELRGRRLRRDDVVVVLAGAANRDPRRYDRPDDFDIER-DPVPSMSFGAGMRYCLGSYLARTQLRAAVAALARLPGLRLGCASDA--LAYQPRTMFRGLASLPI----------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3BUJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -278702 for 3178 contacts (-87.7/contact) +
2D Compatibility (PS) -40396 + (NN) -19901 + (LL) 1832
1D Compatibility (HY) -30800 + (ID) 7250
Total energy: -375217.0 ( -118.07 by residue)
QMean score : 0.532
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