Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MERKFMSLQPSISVSEMEPNGTFSNNNSRNCTIENFKREFFPIVYLIIFFWGVLGNGLSIYVFLQPYKKSTSVNVFMLNLAISDLLFISTLPFRADYYLRGSNWIFGDLACRIMSYSLYVNMYSSIYFLTVLSVVRFLAMVHPFRLLHVTSIRSAWILCGIIWIL-IMASSIMLLDSGSEQNG---SVTSCLELNLYKIAK-LQTMNYIALVVGCLLPFFTLSICYLLIIRVLLKVEV-----------PESG------------------------------------LRVSHRKALTTIIITLIIFFLCFLPYHTLRTVHLTTWKVGL----CKDRLHKALVITLALAAANACFNPLLYYFAGENFKDRLKSALRKGHPQKAKTKCVFPVSVWLRKETRV |
4MBS Chain:A ((21-366)) | --------------------------PCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINYKRLKSMTDIYLLNLAISDLFFLLTVPFWAHY--AAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPNIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIV--ILGLVLPLLVMVICYSGILKTLLRMKKYTCTVCGYIYNPEDGDPDNGVNPGTDFKDIPDDWVCPLCGVGKDQFEEVEEEKKRHRD-VRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEEFRNYLLVFFQ------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4MBS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -264149 for 2136 contacts (-123.7/contact) +
2D Compatibility (PS) -30142 + (NN) -8107 + (LL) 3852
1D Compatibility (HY) -36000 + (ID) 4150
Total energy: -338696.0 ( -158.57 by residue)
QMean score : 0.322
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