Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEPSPRTAAAVKSGACLLTSTLIARLLEGWVAPDDARLPEEYAAQVTQPRRCIEMSNFNSHDRVSLCSQPAARLMLSPITRPHRMPLRTRLLWLFLPLLAASLGGIWLLSESILLSRFDREDQQRLQEGATVLHNRLDFELKRHLDIVRTYAWWDASYDFIQRPNETFEQENLDHEMLDDLGFDFVLFLDDRGHLQLKQWSPPAPDQRVLFGAPSASDQALLEALQQRAIRLGALDFRGRTDHSLSELLLVDNLPTLLVSVPISNNQGSAPAKGAILAGYFLDRERLANLREQMQADLQPMPNIATDSTWKPLRSRSGSTHNQALLSPRRFIGEHVQQVSVQYLSSSGEPQLRFDITKKRLLYIQGEKAINFFLGASLLVALGAFLVGYLALELWVLRRVQRLNREVAEVGRNAHSIRLSDFGNDELGQLAGEMNQMLERLEHSEARDRAILQSMRDGYFEMDVDGVILTVNPALCQLLGQTRETLIGHPYYELLGEDDLARARQPFQRAMQSGAGKTFAIPLQRADGSLGYFEATVSLIHDLQGELRGYRGIVRDVSDQIAYQQQLLEMAYRDPLTGLGNRKAFDEQLGQALLRAGSGGSELALLYLDLDRFKEVNDRFGHDIGDALLRTVAERVRSTLRQPDKAYRLGGDEFAVLLEDSQE-NNPQRLAERLLAALVQPIALNGERIDFVTPSIGIALYPRHAGDAEGLVRAADSAMYEAKRQ-RNHYCLYQAPA |
3ICL Chain:A ((1-162)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MDTVTGLPNRQLFCDRLLQALAAHERDGNPVVLLFLDVDNFKSINDSLGHLVGDRLLRATAERIRTAVRDGDTVARIGGDKFTILLNGAKDTLNGALVAQKILDGLAQPFVFGAQQI-VISVSIGIAVSPADGETMEQLLRNADTAMYHAKSRGKNNYQFFSP-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3ICL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -105384 for 1301 contacts (-81.0/contact) +
2D Compatibility (PS) -18120 + (NN) -12480 + (LL) 41436
1D Compatibility (HY) -14800 + (ID) 3300
Total energy: -112648.0 ( -86.59 by residue)
QMean score : 0.636
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