Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGPNAVELTTDQAWCLADVLGAGSYPWVLAITPPYSDHSQRSAFLAAQSAELTRMGVVNSAGAVDPRVAQWITTVCRATQWLDLRFVSGPGDLLRGMVARRSEETVVA--LRNAQLVT----FTAMDIGHQH-ALVPVLTAGLSGRKPARFDDFALPAAAGARADEQIRNGAPLAEVLEFLGVPPSARPLVESVF----DGRRTYVEIVAGEHRDGHRVTTEVGVSIIDTPHGRILVHPTKAFDGEWISTFTPGSADAIAMAVERLTASLPSGSWFPDQPLTRDFDEDAATHREPVLQRRTQKA |
4K5R Chain:A ((69-222)) | ---------------------------------------------------------------------------------------------LRGLLDRFLEGTQVAKGLPFAGIFTQGLDFGLVDTRHPYTALVP------QSRTEALLAEHAREAGAEIRRGHEVTGLRQDAEAVEVTVAGPSGPYRVRARYAVGCDGGRSTVRRLAGIGFPGTEATVRALIGYVTTPEREVPRRWERTPDGILVLAFPP--------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4K5R.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -5454 for 629 contacts (-8.7/contact) +
2D Compatibility (PS) -14196 + (NN) 5193 + (LL) 9784
1D Compatibility (HY) -3600 + (ID) 2200
Total energy: -10473.0 ( -16.65 by residue)
QMean score : -0.039
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