Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEHKEIVIGVDIGSRKICAIVAEFKDGILRIIGTAHQDSKEINSKAIKRGRINSLAHASNAIKEVINSAKKMAGLNADEDRNNPISSFRESYHPKTKAIVSFSGAYTESIRDVTGVASTKDNVVTIDEINRAINNACAKAGLDNDKHILHALPYRFTLDKQEVNDPLGMSGTRLEVFIHIVYTEKNNIENLEKIMIQSGVEIENIVINSYAASIATLSND-ERELGVACVDMGGETCNLTIYSGNSIRY-----NKYLPVGSHHLTTDLSHMLNTPF-------------------PYAEEVKIKYGDLSFESGAETPSQSVQIPTTGSDGHESHIVPLSEIQTIMRERALETFKIIHRSIQDSGFEEHLGGGVVLTGGMALMKGIKELARTHFTNYPVRLATPVEKYNIMGMFEDLKDPRFSVVVGLILYKAGGHTNYERDSKGIIRYHESDDYIRKAHQSNPTPHIHSSPTERNLSDLKTPSAPLNTAKNDDFLPIKPTEQKGFFQNLLDKISKIF |
3QFU Chain:A ((167-392)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AQRQATKDAGTIAGLNVLRIVNEPTAAAIAYGLDKSDKEHQIIVYDLGGGTFDVSLLSIENGVFEVQATSGDTHLGGEDFDYKIVRQLIKAFKKKHGIDVSDNNKALAKLKREAEKAKRALSSQMS--------TRIEIDSFVDGIDLSETLTRAKFEELNLDLFKKTLKPVEKVLQDSGLEKKDVDDIVLVGGSTRIPKVQQLLESYFDGKKASK---------------GINPDEAVAYGAAVQAGVLS---------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3QFU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -93252 for 1484 contacts (-62.8/contact) +
2D Compatibility (PS) -21405 + (NN) -7841 + (LL) 16168
1D Compatibility (HY) -1600 + (ID) 1850
Total energy: -109780.0 ( -73.98 by residue)
QMean score : 0.425
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