Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKIRVGINGLGRIGRSVLRAIHEVGKYNEQIEVVAVNGSLSTEQHAHLIRYDSVHGKFNGDIGFNESENWISTNGKKFSLYRERNPENIPWD---VDVVLECTGAFNKRAEAAKHNT-G--KVIVSAPVSDADITIVYGVNNDMLKK-EHKVISAGSCTTNCLAPVVKVLHFNLDMKSGFMTTVHAYTNDQNVLDGNHRDLRRARACGLSIVPTTTGAAKTIGSVIPELKGKLDGTAIRVPVANVSMVDLKFTTDKKVTAKEINEIFKNSVN----DVLSICKEPLVSIDFVHNPYSAIVDLAGTYVTG-DICRVAAWYDNEWAFSLRMLDIALLCYNRI |
3CMC Chain:O ((1-333)) | -AVKVGINGFGRIGRNVFRAALKN----PDIEVVAVNDLTDANTLAHLLKYDSVHGRLDAEVSV-N-GNNLVVNGKEIIVKAERDPENLAWGEIGVDIVVESTGRFTKREDAAKHLEAGAKKVIISAPAKNEDITIVMGVNQDKYDPKAHHVISNASCTTNCLAPFAKVLHEQFGIVRGMMTTVHSYTNDQRILDLPHKDLRRARAAAESIIPTTTGAAKAVALVLPELKGKLNGMAMRVPTPNVSVVDLVAELEKEVTVEEVNAALKAAAEGELKGILAYSEEPLVSRDYNGSTVSSTIDALSTMVIDGKMVKVVSWYDNETGYSHRVVDLAAYIASKG |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CMC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -258615 for 2829 contacts (-91.4/contact) +
2D Compatibility (PS) -34338 + (NN) -9408 + (LL) 4
1D Compatibility (HY) -26000 + (ID) 8100
Total energy: -336457.0 ( -118.93 by residue)
QMean score : 0.510
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