Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKIRVGINGLGRIGRSVLRAIHEVGKYNEQIEVVAVNGSLSTEQHAHLIRYDSVHGKFNGDIGFNESENWISTNGKKFSLYRERNPENIPW---DVDVVLECTGAFNKRAEAAKH---NTGKVIVSAPVSDADITIVYGVNNDMLKKEHKVISAGSCTTNCLAPVVKVLHFNLDMKSGFMTTVHAYTNDQNVLDGNHRDLRRARACGLSIVPTTTGAAKTIGSVIPELKGKLDGTAIRVPVANVSMVDLKFTTDKKVTAKEINEIFKN----SVNDVLSICKEPLVSIDFVHNPYSAIVDLAGTYVT-GDICRVAAWYDNEWAFSLRMLDIALLCYNRI |
3L0D Chain:B ((22-350)) | MSVRVAINGFGRIGRNILRAIIESGR--QDIEVVALNDLGSVETNAHLLRYDSVHGCFPGTV--QVVGDAIDI---LIKVFAERDPAQLPWKALDIDIALECTGIFTARDKASAHLDAGAKRVLVSAPSEGADLTVVYGVNHQFLSKEHHVISNASCTTNCLAPVAQVLHNTVGIEKGFMTTIHSYTGDQPVLDTMHRDLYRARAAALSMIPTSTGAAKAVGLVLPELKGLLDGVSIRVPTPNVSVVDLTFTAKRSTTIEEINTAIRTAAQGSLKGILDYTDEKLVSCDFNHNPHSAIFHNDQTKVIDGQLCRVLVWYDNEWGFSNRMCDTAVAFAKTI |
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General information:
TITO was launched using:
| RESULT:
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Template: 3L0D.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -240950 for 2709 contacts (-88.9/contact) +
2D Compatibility (PS) -32892 + (NN) -3463 + (LL) -216
1D Compatibility (HY) -30800 + (ID) 8750
Total energy: -317071.0 ( -117.04 by residue)
QMean score : 0.517
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