Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDYDFKVKLSSERERVEDLFEYEGCKVGRGTYGHVYKAKRKDGKDDKDYALKQIEGTG---ISMSACREIALLRELKHPNVISLQKVFLSHA---DRKVWLLFDYAEHDLWHIIKFHRASKANKKPVQLPRGMVKSLLYQILDGIHYLHANWVLHRDLKPANILVMGEGPERGRVKIADMGFARLFNSPLKPLADLDPVVVTFWYRAPELLLGARHYTKAIDIWAIGCIFAELLTSEPIFHCRQEDIKTSNPYHHDQLDRIFNVMGFPADKDWEDIKKMPEHSTLMKDFRRN--TYTNCSLIKYMEKHKVKPDSKAFHLLQKLLTMDPIKRITSEQAMQDPYFLEDPLPTSDVFAGCQIPYPKREFLTEEEPDDKGDKKNQQQQQGNNHTNGTGHPGNQDSSHTQGPPLKKVRVVPPTTTSGGLIMTSDYQRSNPHAAYPNPGPSTSQPQSSMGYSATSQQPPQYSHQTHRY |
3QYZ Chain:A ((32-325)) | -----------------------LSYIGEGAYGMVCSAYDN--LNKVRVAIKKISPFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQ----------HLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNT----TCDLKICDFGLARVADPDHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKH---------YLDQLNHILGILGSPSQEDLNCIINLKA-----RNYLLSLPHKNKVPWNRLF----PNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSD------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3QYZ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -154689 for 2249 contacts (-68.8/contact) +
2D Compatibility (PS) -30647 + (NN) -12813 + (LL) 5108
1D Compatibility (HY) -28000 + (ID) 5000
Total energy: -226041.0 ( -100.51 by residue)
QMean score : 0.264
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