Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MISLERKGHAPTLLYERGIAERFREAIIRRYFSRGYLLDPFCLAVEEGLPEGFYTLGEIAPDDFFQSAYYQTYYLGAGAVEDVYYILDLGPTEKLSICLYNGLSASRYSDAQVAALAGLAPPVLELAR---QFCAGRADLSPNPQADLAPRL------QEVLRGFGRGVLTDREREACHLLLSGHSAKSSARLMDISPETVRMHRKNLYTKL--EVGSQSELFALFIECLSQGQRVGP |
3C3W Chain:A ((109-204)) | ---------------------------------------------------------------------------------------------------------------------------MELARAVKDVGAGRSLLDNRAAAALMAKLRGAAEKQDPLSG-----LTDQERTLLGLLSEGLTNKQIADRMFLAEKTVKNYVSRLLAKLGMERRTQAAVFA-------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3C3W.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -13619 for 462 contacts (-29.5/contact) +
2D Compatibility (PS) -9080 + (NN) -1384 + (LL) 9360
1D Compatibility (HY) -5200 + (ID) 1700
Total energy: -21623.0 ( -46.80 by residue)
QMean score : 0.584
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