Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEHKEIVIGVDIGSRKICAIVAEFKDGILRIIGTAHQDSKEINSKAIKRGRINSLAHASNAIKEVINSAKKMAGLNADEDRNNPISSFRESYHPKTKAIVSFSGAYTESIRDVTGVASTKDNVVTIDEINRAINNACAKAGLDNDKHILHALPYRFTLDKQEVNDPLGMSGTRLEVFIHIVYTEK----NNIENLEKIMIQSGVEIENIVINSYAASIATLSND----ERELGVACVDMGGETCNLTIYS--GNSIRY---NKYLPVGSHHLTTDLSHMLNTP-------------------FPYAEEVKIKYGDLSFESGAETPSQSVQIPTTGSDGHESHIVPLSEIQTIMRERALETFKIIHRSIQDSGFEEHLGGGVVLTGGMALMKGIKELARTHFTNYPVRLATPVEKYNIMGMFEDLKDPRFSVVVGLILYKAGGHTNYERDSKGIIRYHESDDYIRKAHQSNPTPHIHSSPTERNLSDLKTPSAPLNTAKNDDFLPIKPTEQKGFFQNLLDKISKIF |
3I33 Chain:A ((160-400)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SAVITVPAYFNDSQRQATKDAGTITGLNVLRIINEPTAAAIAYGLDKKGCAGGEKNVLIFDLGGGTFDVSILTIEDGIFEVKSTAGDTHLGGEDFDNRMVSHLAEEFKRKHKKDIGPNKRAVRRLRTACERAKRTLSSSTQ--------ASIEIDSLYEGVDFYTSITRARFEELNADLFRGTLEPVEKALRDAKLDKGQIQEIVLVGGSTRIPKIQKLLQDFFNGKELNK---------------SINPDEAVAYGAAVQAAILI---------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3I33.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -97373 for 1601 contacts (-60.8/contact) +
2D Compatibility (PS) -22614 + (NN) -9193 + (LL) 15212
1D Compatibility (HY) -2400 + (ID) 1600
Total energy: -117968.0 ( -73.68 by residue)
QMean score : 0.429
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