Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MDYDFKVKLSSERERVEDLFEYEGCKVGRGTYGHVYKAKRKDGKDDKDYALKQIEGTGISMSACREIALLRELKHPNVISLQKVFLSHADRKVWLLFDYAEHDLWHIIKFHRASKANKKPVQLPRGMVKSLLYQILDGIHYLHANWVLHRDLKPANILVMGEGPERGRVKIADMGFARLFNSPLKPLADLDPVVVTFWYRAPELLLGARHYTKAIDIWAIGCIFAELLTSEPIFHCRQEDIKTSNPYHHDQLDRIFNVMGFPADKDWEDIKKMPEHSTLMKDFRRNTYTNCSLIKYMEKHKVKPDSKAFHLLQKLLTMDPIKRITSEQAMQDPYFLEDPLPTSDVFAGCQIPYPKREFLTEEEPDDKGDKKNQQQQQGNNHTNGTGHPGNQDSSHTQGPPLKKVRVVPPTTTSGGLIMTSDYQRSNPHAAYPNPGPSTSQPQSSMGYSATSQQPPQYSHQTHRY |
| 1UA2 Chain:A ((16-311)) | ------------------------DFLGEGQFATVYKARDKN--TNQIVAIKKI-----NRTALREIKLLQELSHPNIIGLLDAFG--HKSNISLVFDFMETDLEVIIKD------N--SLVLTPSHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLDE----NGVLKLADFGLAKSFGSPNRA---YTHQVVTRWYRAPELLFGARMYGVGVDMWAVGCILAELLLRVPFLPGDS---------DLDQLTRIFETLGTPTEEQWPDMCSLPDYVTF----K--SFPGIPLHHIFS----AAGDDLLDLIQGLFLFNPCARITATQALKMKYFSNRPGPTP----GCQLPRPN------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1UA2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -166135 for 2331 contacts (-71.3/contact) +
2D Compatibility (PS) -29602 + (NN) -9685 + (LL) 5324
1D Compatibility (HY) -28400 + (ID) 5900
Total energy: -234398.0 ( -100.56 by residue)
QMean score : 0.482
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