Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSIKKSVIGFCLGAAALSMFACVDSSQSVMAAEKDKVEITWWAFPTFTQEKAKDGVGTYEKKVIKAFEKKNPNIKVKLETIDFTSGPEKITTAIEAG-TAPDVLFDAPGRIIQYGKNGKLADLNDLFTDQFIKDVNNKNIIQASKSGDKAYMYPISSAPFYMAFNKKMLKDAGVLKLVKEGWTTSDFEKVLKALKNKGYTPGSFFANGQGGDQGPRAFFANLYSAPITDKEVTKYTTDTKNSVKSMKKIVEWIKKGYLMNGSQYDGSADIQNFANGQTAFTILWAPAQPKTQAKLLESSKVDYLEVPFPSEDGKPDLEYLVNGFAVFNNKDENKVKASKKFITFIADDKKWGPKDVIRTGAFPVRTSFGDL--YKGDKRMMKISKWTQYYSPYYNTIDGFSEMRTLWFPMVQSVSNGDEKPADALKDFTQKANDTIKKAAK |
3K01 Chain:A ((24-411)) | --------------------------------VELSGTVTFWDTSNE-A------EKATYQALAEGFEKEHPKVDVKYVNVPFGEANAKFKNAAGGNSGAPDVMRTEVAWVADFASIGYLAPLDGTPALDDGSDHLPQAAAST-RYEGKTYAVPQVIDTLALFYNKELLTKAGVE--VPG--SVAELKTAAAEITEKTGATGLYLRG---DDPYWFLPYLYGEGGDLVDEKNKTVTVDDEAGVRAYRVIKDLVDSKAAITDASDGWNNMQNAFKSGKVAMMVNGPWAIEDVKAGARFKDAGNLGVAPVPAGSAGQGSPQGGWNLSVYA--GSKNLDASYAFVKYMSSAKVQ-QQTTEKLSLLPTRTSVYEVPSVADNEMVKFFKPAVDK-AVERPWIAEGNALFEPIRLQMANVLSGETSPDEAAANTGDAYRKLLKDYK- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3K01.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -41492 for 3479 contacts (-11.9/contact) +
2D Compatibility (PS) -40913 + (NN) -14286 + (LL) 3060
1D Compatibility (HY) -2400 + (ID) 3000
Total energy: -99031.0 ( -28.47 by residue)
QMean score : 0.414
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