Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDYDFKVKLSSERERVEDLFEYEGCKVGRGTYGHVYKAKRKDGKDDKDYALKQIEGTGISMSACREIALLRELKHPNVISLQKVFLSHADRKVWLLFDYAEHDLWHIIKFHRASKANKKPVQLPRGMVKSLLYQILDGIHYLHANWVLHRDLKPANILVMGEGPERGRVKIADMGFARLFNSPLKPLADLDPVVVTFWYRAPELLLGARHYTKAIDIWAIGCIFAELLTSEPIFHCRQEDIKTSNPYHHDQLDRIFNVMGFPADKDWEDIKKMPEHSTLMKDFRRNTYTNCSLIKYMEKHKVKPDSKAFHLLQKLLTMDPIKRITSEQAMQDPYFLEDPLPTSDVFAGCQIPYPKREFLTEEEPDDKGDKKNQQQQQGNNHTNGTGHPGNQDSSHTQGPPLKKVRVVPPTTTSGGLIMTSDYQRSNPHAAYPNPGPSTSQPQSSMGYSATSQQPPQYSHQTHRY |
3NIZ Chain:A ((15-307)) | -----------YFQGLMEKYQKLE-KVGEGTYGVVYKAKDSQ---GRIVALKRIR--GIPSTAIREISLLKELHHPNIVSLIDVIHS--ERCLTLVFEFMEKDLKKVLDENK----T----GLQDSQIKIYLYQLLRGVAHCHQHRILHRDLKPQNLLINSD----GALKLADFGLARAFGIPVR------HEVVTLWYRAPDVLMGSKKYSTSVDIWSIGCIFAEMITGKPLFPGVT---------DDDQLPKIFSILGTPNPREWPQVQELPLWKQRTF----QVFEKKPWSSII----PGFCQEGIDLLSNMLCFDPNKRISARDAMNHPYFKDL------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NIZ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -182097 for 2246 contacts (-81.1/contact) +
2D Compatibility (PS) -29993 + (NN) -11266 + (LL) 3964
1D Compatibility (HY) -27600 + (ID) 5550
Total energy: -252542.0 ( -112.44 by residue)
QMean score : 0.486
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