Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKIRVGINGLGRIGRSVLRAIHEVGKYNEQIEVVAVNGSLSTEQHAHLIRYDSVHGKFNGDIGFNESENWISTNGKKFSLYRERNPENIPW---DVDVVLECTGAFNKRAEAAKH---NTGKVIVSAPVSDADI-TIVYGVNNDMLKKE-HKVISAGSCTTNCLAPVVKVLHFNLDMKSGFMTTVHAYTNDQNVLDGNHRDLRRARACGLSIVPTTTGAAKTIGSVIPELKGKLDGTAIRVPVANVSMVDLKFTTDKKVTAKEINEIF----KNSVNDVLSICKEPLVSIDFVHNPYSAIVDLAGTYVT-GDICRVAAWYDNEWAFSLRMLDIALLCYNRI |
2DUU Chain:B ((1-336)) | MTIRVAINGFGRIGRNFLRCWF--GRQNTDLEVVAINNTSDARTAAHLLEYDSVLGRFNADISYDE--NSITVNGKTMKIVCDRNPLNLPWKEWDIDLVIESTGVFVTAEGASKHIQAGAKKVLITAPGKAEGVGTYVIGVNDSEYRHEDFAVISNASCTTNCLAPVAKVLHDNFGIIKGTMTTTHSY----------------ARAAAVNIVPTTTGAAKAVALVIPELKGKLNGIALRVPTPNVSVVDLVVQVEKPTITEQVNEVLQKASQTTMKGIIKYSDLPLVSSDFRGTDESSIVDSSLTLVMDGDLVKVIAWYDNEWGYSQRVVDLAELAARKS |
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General information:
TITO was launched using:
| RESULT:
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Template: 2DUU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -237380 for 2619 contacts (-90.6/contact) +
2D Compatibility (PS) -33414 + (NN) -11488 + (LL) 792
1D Compatibility (HY) -28000 + (ID) 7600
Total energy: -317090.0 ( -121.07 by residue)
QMean score : 0.499
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