Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDYDFKVKLSSERERVEDLFEYEGCKVGRGTYGHVYKAKRKDGKDDKDYALKQI-EGTGISMSACREIALLRELKHPNVISLQKVFLSHADRKVWLLFDYAEHDLWHIIKFHRASKANKKPVQLPRGMVKSLLYQILDGIHYLHANWVLHRDLKPANILVMGEGPERGRVKIADMGFARLFNSPLKPLADLDPVVVTFWYRAPELLLGARHYTKAIDIWAIGCIFAELLTSEPIFHCRQEDIKTSNPYHHDQLDRIFNVMGFPADKDWEDIKKMPEHSTLMKDFRRNTYTNCSLIKYMEKHKVKP--DSKAFHLLQKLLTMDPIKRITSEQAMQDPYF--LEDPLPTSDVFAGCQIPYPKREFLTEEEPDDKGDKKNQQQQQGNNHTNGTGHPGNQDSSHTQGPPLKKVRVVPPTTTSGGLIMTSDYQRSNPHAAYPNPGPSTSQPQSSMGYSATSQQPPQYSHQTHRY |
3PY0 Chain:A ((17-302)) | -------------------------KIGEGTYGVVYKARNK--LTGEVVALKKIR-TEGVPSTAIREISLLKELNHPNIVKLLDVI--HTENKLYLVFEFLHQDL---KKFMDASALTGIPLPL----IKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGA----IKLADFGLARAFGVPVRTYTH---EVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEI---------DQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFS-----------KVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL----------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PY0.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -157995 for 2187 contacts (-72.2/contact) +
2D Compatibility (PS) -29267 + (NN) -10231 + (LL) 5288
1D Compatibility (HY) -32000 + (ID) 6150
Total energy: -230355.0 ( -105.33 by residue)
QMean score : 0.544
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