Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MEMEKEFEQIDKAGNWAAIYQDIRHEASDFPCRIAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRIMEKGSLKCAQYWPQKEEKEMVFDDTNLKLTLISEDVKSYYTVRQLELENLATQEAREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPIVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLEMRRFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHEDLEPPPEHVPPPPRPPKRTLEPHNGKCKELFSNHQWVSEESCEDEDILAREESRAPSIAVHSMSSMSQDTEVRKRMVGGGLQSAQASVPTEEELSPTEEEQKAHRPVHWKPFLVNVCMATALATGAYLCYRVCFH |
| 3I80 Chain:A ((2-299)) | -EMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHEDL------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3I80.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -157720 for 2534 contacts (-62.2/contact) +
2D Compatibility (PS) -32174 + (NN) -18665 + (LL) 7796
1D Compatibility (HY) -42000 + (ID) 14350
Total energy: -257113.0 ( -101.47 by residue)
QMean score : 0.549
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