Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKIRVGINGLGRIGRSVLRAIHEVGKYNEQIEVVAVNGSLSTEQHAHLIRYDSVHGKFNGDIGFNESENWISTNGKKFSLYRERNPENIPWD---VDVVLECTGAFNKRAEAAKHNT-G--KVIVSAPVSDADITIVYGVNNDMLKKEHKVISAGSCTTNCLAPVVKVLHFNLDMKSGFMTTVHAYTNDQNVLDGNHRDLRRARACGLSIVPTTTGAAKTIGSVIPELKGKLDGTAIRVPVANVSMVDLKFTTDKKVTAKEINEIFKNSV----NDVLSICKEPLVSIDFVHNPYSAIVDLAGTYVTG-DICRVAAWYDNEWAFSLRMLDIALLCYNRI |
3DOC Chain:A ((1-335)) | MAVRVAINGFGRIGRNILRAIVES--GRTDIQVVAINDLGPVETNAHLLRYDSVHGRFPKEVEV-A-GDTIDVGYGPIKVHAVRNPAELPWKEENVDIALECTGIFTSRDKAALHLEAGAKRVIVSAPADGADLTVVYGVNNDKLTKDHLVISNASCTTNCLAPVAQVLNDTIGIEKGFMTTIHSYTGDQPTLDTMHKDLYRARAAALSMIPTSTGAAKAVGLVLPELKGKLDGVAIRVPTPNVSVVDLTFIAKRETTVEEVNNAIREAANGRLKGILGYTDEKLVSHDFNHDSHSSVFHTDQTKVMDGTMVRILSWYDNEWGFSSRMSDTAVALGKLI |
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General information:
TITO was launched using:
| RESULT:
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Template: 3DOC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -252246 for 2776 contacts (-90.9/contact) +
2D Compatibility (PS) -34456 + (NN) -8027 + (LL) -216
1D Compatibility (HY) -26000 + (ID) 8250
Total energy: -329195.0 ( -118.59 by residue)
QMean score : 0.544
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