Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKIRVGINGLGRIGRSVLRAIHEVGKYNEQIEVVAVNGSLSTEQHAHLIRYDSVHGKFNGDIGFNESENWISTNGKKFSLYRERNPENIPWD---VDVVLECTGAFNKRAEAAKH---NTGKVIVSAPVSDADITIVYGVNNDML-KKEHKVISAGSCTTNCLAPVVKVLHFNLDMKSGFMTTVHAYTNDQNVLDGNHRDLRRARACGLSIVPTTTGAAKTIGSVIPELKGKLDGTAIRVPVANVSMVDLKFTTDKKVTAKEINEIFKNS----VNDVLSICKEPLVSIDFVHNPYSAIVDLAGTYVT-GDICRVAAWYDNEWAFSLRMLDIALLCYNRI |
2DBV Chain:O ((2-326)) | --VKVGINGFGRIGRNVFRAALK----NPDIEVVAVNGLTDANTLAHLLKYDSVHGRLDAEVSVNG--NNLVVNGKEIIVKAERDPENLAWGEIGVDIVVESTGRFTKREDAAKHLEAGAKKVIISAPAKNEDITIVMGVNQDKYDPKAHHVISNASCTTNCLAPFAKVLHEQFGIVRGMMTTVHSYTNDQRILDASHKDLRRARAAAESIIPTTTGAAKAVALVLPELKGKLNGMAMRVPTPNVSVVDLVAELEKEVTVEEVNAALKAAAEGELKGILAYSEEPLVSRDYNGSTVSSTIDALSTMVIDGKMVKVVSWYDNETGYSHRVVDLAAYIASKG |
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General information:
TITO was launched using:
| RESULT:
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Template: 2DBV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -245231 for 2722 contacts (-90.1/contact) +
2D Compatibility (PS) -33020 + (NN) -5044 + (LL) 524
1D Compatibility (HY) -27600 + (ID) 8300
Total energy: -318671.0 ( -117.07 by residue)
QMean score : 0.510
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