Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNKNKTFLAAALVALAASFPVHAATDYTRTRYPIVLSHGLFGFKSVG-PVDYWHAIVPALEKDGAKVFATSQSPVNSNE---VRGEQLLAQVEEVLALTGAEKVNLIGHSQGGMTVRYVAGVAPQLVASVTTMGTPHKGTPVADAVTGFSEFLGPIGTEVIASAVEALFSVVDIVDGGE-WVKGDALAALNSLNTPGTARFNQRFPQAI--PASACGQGAET----VAGVRYYSMSGTGS-LT---------------------NALDPSSAG-LAVTGLL---FGEANDGLVGQCSSHLGSVVKDNYRMDHLDEVNQLLGLVSLFESDPTQVYRQHANRLRNVGL |
1YS1 Chain:X ((3-320)) | -------------------------NYAATRYPIILVHGLTGTDKYAGVLEYWYGIQEDLQQRGATVYVANLSGFQSDDGPNGRGEQLLAYVKTVLAATGATKVNLVGHSQGGLTSRYVAAVAPDLVASVTTIGTPHRGSEFADFVQGVLAYD--P-TGLSSTVIAAFVNVFGILTSSSNNTNQDALAALKTLTTAQAATYNQNYPSAGLGAPGSCQTGAPTETVGGNTHLLYSWAGTAIQPTISVGGVTGATDTSTIPLVDPANALDPSTLALFGTGTVMVNRGSGQNDGVVSKCSALYGQVLSTSYKWNHLDEINQLLGVRGANAEDPVAVIRTHANRLKLAGV |
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General information:
TITO was launched using:
| RESULT:
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Template: 1YS1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -60549 for 2491 contacts (-24.3/contact) +
2D Compatibility (PS) -29764 + (NN) -10857 + (LL) 2000
1D Compatibility (HY) -20800 + (ID) 6400
Total energy: -126370.0 ( -50.73 by residue)
QMean score : 0.347
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