Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSTAKAPTLPASIFRAYDIRGVVGDTLTAETAYWIGRAIGSESLARGEPCVAVGRDGRLSGPELVKQLIQGLVDCGCQVSDVGMVPTPVLYYAANV--------LEGKSGVMLTGSHNPPDYNGFKIVVAGETLANEQIQALRERIEKNDLASGVGSVEQVDILPRYFKQIRDDIAMAKPMKVVVDCGNGVAGVIAPQLIEALGCSVIPLYCEVDGNFPNHHPDPGKPENLKDLIAKVKAENADLGLAFDGDGDRVGVVTNTGTIIYPDRLLMLFAKDVVSRNPGADIIFDVKCTRRLIALISGYGGRPVMWKTGHSLIKKKMKETGALLAGEMSGHVFFKERWFGFDDGIYSAARLLEILSQDQRDSEHVFSAFPSDISTPEINITVTEDSKFAIIEALQRDAQWGE-GNITTLDGVRVDYPKGWGLVRASNTTPVLVLRFEADTEEELERIKTVFRNQLKAVDSSLPVPF |
3UW2 Chain:A ((22-485)) | -------MISQSIFKAYDIRGVIGKTLDADVARSIGRAFGSEVRAQGGDAVVVARDGRLSGPELVGALADGLRAAGVDVVDVGMVPTPVGYFAASVPLALSGGERRVDSCIVVTGSHNPPDYNGFKMVLRGAAIYGDQIQGLYKRIVDARFETGSGSYEQYDVADQYVERIVGDIKLTRPLKLVVDAGNGVAGPLATRLFKALGCELVELFTDIDGNFPNHHPDPAHPENLQDVIAKLKATDAEIGFAFDGDGDRLGVVTKDGQIIYPDRQLMLFAEEVLSRNPGAQIIYDVKCTRNLARWVREKGGEPLMWKTGHSLVKAKLRETGAPLAGEMSGHVFFKDRWYGFDDGLYTGARLLEILARV-ADPSALLNGLPNAVSTPELQL------NVKLIDKLRADAKFDGADEVVTIDGLRVEYPDGFGLARSSNTTPVVVLRFEATSDAALARIQDDFRRALKAAKPGANLPF |
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General information:
TITO was launched using:
| RESULT:
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Template: 3UW2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -287377 for 4089 contacts (-70.3/contact) +
2D Compatibility (PS) -49275 + (NN) -28317 + (LL) 860
1D Compatibility (HY) -46800 + (ID) 12750
Total energy: -423659.0 ( -103.61 by residue)
QMean score : 0.861
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