Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MIDRKLLLQDFDKVALSLKKRNHAMDDELERLREAIAHYKKQLIELEGLQAFQNKVSKEFGIKMAQKMDTSDLKKELENNKIKLNELSKSVGEAEQEMDLKLSIIPNLVDEKTPLGASEEDNIEIKKILTPRNFTFKPKEHFELAQQNGWIDFESGVKLAKSRFSVIRGFGAKIYRALIHLMLDFNEKNGFEIIYTPALVNEKMLFGTGQLPKFKEDVFKIENENLYLIPTAEVTLTNLYNDTIISVENLPIKMTAHTPCFRSEAGSAGKDTRGMIRQHQFDKVELVAITHPKESDAMQEHMLESASEILKALELPHRFVQLCSGDLGFSASNTIDIEVWLPGQNCYREISSVSNTRDFQARRAKIRFKEN--QKNQLVHTLNGSSLAVGRTMVALMENHQQADGSIHIPKALEKYL |
| 2DQ3 Chain:A ((1-417)) | MIDINLIREKPDYVKERLATRDKELVSLVDKVLELDKRRREIIKRLEALRSERNKLSKEIGKLKREGKDTTEIQNRVKELKEEIDRLEEELRKVEEELKNTLLWIPNLPHPSVPVGEDEKDNVEVRRWGEPRKFDFEPKPHWEIGERLGILDFKRGAKLSGSRFTVIAGWGARLERALINFMLDLHTKKGYKEICPPHLVKPEILIGTGQLPKFEEDLYKCERDNLYLIPTAEVPLTNLYREEILKEENLPIYLTAYTPCYRREAGAYGKDIRGIIRQHQFDKVELVKIVHPDTSYDELEKLVKDAEEVLQLLGLPYRVVELCTGDLGFSAAKTYDIEVWFPSQNKYREISSCSNCEDFQARRMNTRFKDSKTGKNRFVHTLNGSGLAVGRTLAAILENYQQEDGSVVVPEVLRDYV |
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General information:
TITO was launched using:
| RESULT:
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Template: 2DQ3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -115576 for 3373 contacts (-34.3/contact) +
2D Compatibility (PS) -44589 + (NN) -23176 + (LL) 0
1D Compatibility (HY) -38000 + (ID) 10200
Total energy: -231541.0 ( -68.65 by residue)
QMean score : 0.442
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