Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKIRVGINGLGRIGRSVLRAIHEVGKYNEQIEVVAVNGSLSTEQHAHLIRYDSVHGKFNGDIGFNESENWISTNGKKFSLYRERNPENIPWD---VDVVLECTGAFNKRAEAAKH---NTGKVIVSAPVSDADITIVYGVNNDMLKKEHKVISAGSCTTNCLAPVVKVLHFNLDMKSGFMTTVHAYTNDQNVLDGNHRDLRRARACGLSIVPTTTGAAKTIGSVIPELKGKLDGTAIRVPVANVSMVDLKFTTDKKVTAKEINEIFKNS----VNDVLSICKEPLVSIDFVHNPYSAIVDLAGTYVT-GDICRVAAWYDNEWAFSLRMLDIALLCYNRI |
1HDG Chain:O ((2-324)) | ---RVAINGFGRIGRLVYRIIYE--RKNPDIEVVAINDLTDTKTLAHLLKYDSVHKKFPGKVEY--TENSLIVDGKEIKVFAEPDPSKLPWKDLGVDFVIESTGVFRNREKAELHLQAGAKKVIITAPAKGEDITVVIGCNEDQLKPEHTIISCASCTTNSIAPIVKVLHEKFGIVSGMLTTVHSYTNDQRVLDLPHKDLRRARAAAVNIIPTTTGAAKAVALVVPEVKGKLDGMAIRVPTPDGSITDLTVLVEKETTVEEVNAVMKEATEGRLKGIIGYNDEPIVSSDIIGTTFSGIFDATITNVIGGKLVKVASWYDNEYGYSNRVVDTLELLLKM- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1HDG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -199221 for 2675 contacts (-74.5/contact) +
2D Compatibility (PS) -33405 + (NN) -9845 + (LL) 724
1D Compatibility (HY) -29600 + (ID) 7750
Total energy: -279097.0 ( -104.34 by residue)
QMean score : 0.498
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