Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAILRGRAPLRLGLGGGGTDVEPYSSQFGGRILSVTIDKYAYAFAERGTGDEIAFRSPDRDRAGQASIDDLASLEEDFPLHVAVYRRVIAEFNGGTPFPLQLATQVDAPPGSGLGSSSALVVAMLLTTCALIGSSPGPYELARLAWEIERVDLGMAGGWQDHYAAAFGGFNFMESRPNGEVVVNPLRIRREVIAELEASLLLYFGGVSRLSSEVIADQQRNVVERDADALAATHSICAEALEMKDLLVVGDIPGFADSLLRGWQAKKRTSTRISNPAIEHAYQVAQSSGMVAGKVSGAGGGGFLMMIVDPRRRIEVARSLERECGGSVAPCLFTKGGAVTWHIPESTAPVRRGVADAVASALGNAGILLCAGCVLATSHSTWRVPV |
4USK Chain:B ((5-344)) | --IIRARAPLRLGLAGGGTDVAPYADTFGGYVLNATIDRYAYAVIKTLTIPAVRFVSTDQQVEKHQLISEPLELNGTLNLHKAVYNHMIRNYNHGKPIALELSTFCDAPAGSGLGSSSTLVVVMIKAFVELLNLPLDDYAIAQLAYRIERVDCGLAGGRQDQYSATFGGFNFMEFYAAARTIVNPLRIKNWVLCELEASLVLFYTGVSRESAKIIQDQSDNVVSHKTAAIEAMHGIKREALVMKEALLKGDFKAFVASMRLGWDNKKNSARTVSNAHIDEIYDAAIRAGAQAGKVSGAGGGGFMLFFVPTEKRMDLIRTLG-EYDGQVSNCHFTKNGTQAWRI------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4USK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -185940 for 3047 contacts (-61.0/contact) +
2D Compatibility (PS) -37650 + (NN) -18822 + (LL) 3160
1D Compatibility (HY) -32400 + (ID) 8150
Total energy: -279802.0 ( -91.83 by residue)
QMean score : 0.576
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