Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKIRVGINGLGRIGRSVLRAIHEVGKYNEQIEVVAVNGSLSTEQHAHLIRYDSVHGKFNGDIGFNESENWISTNGKKFSLYRERNPENIPWD---VDVVLECTGAFNKRAEAAKH---NTGKVIVSAPVSDADITIVYGVNNDMLKKEHKVISAGSCTTNCLAPVVKVLHFNLDMKSGFMTTVHAYTNDQNVLDGNHRDLRRARACGLSIVPTTTGAAKTIGSVIPELKGKLDGTAIRVPVANVSMVDLKFTTDKKVTAKEINEIFKNSVND----VLSICKEPLVSIDFVHNPYSAIVDLAGTYVTG-DICRVAAWYDNEWAFSLRMLDIALLCYNRI |
1RM3 Chain:A ((1-334)) | -KLKVAINGFGRIGRNFLRCWH--GRKDSPLDVVVINDAGGVKQASHLLKYDSILGTFDADVK-TAGDSAISVDGKVIKVVSDRNPVNLPWGDMGIDLVIEGTGVFVDRDGAGKHLQAGAKKVLITAPGKGDIPTYVVGVNEEGYTHADTIISNASCTTNCLAPFVKVLDQKFGIIKGTMTTTHSYTGDQRLLDASHRDLRRARAACLNIVPTSTGAAKAVALVLPNLKGKLNGIALRVPTPNVSVVDLVVQVSKKTFAEEVNAAFRESADNELKGILSVCDEPLVSIDFRCTDVSSTIDSSLTMVMGDDMVKVIAWYDNEWGYSQRVVDLADIVANKW |
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General information:
TITO was launched using:
| RESULT:
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Template: 1RM3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -236009 for 2825 contacts (-83.5/contact) +
2D Compatibility (PS) -34610 + (NN) -9074 + (LL) 636
1D Compatibility (HY) -29200 + (ID) 7750
Total energy: -316007.0 ( -111.86 by residue)
QMean score : 0.526
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