Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSNYAIILAAGKGTRMKSDLPKVMHKVSGITMLEHVFRSVQAIEPSKIVTVIGHKAELVRDVLGDKS-EFVMQTEQLGTGHAVMMAEEELATSKGHTLVIAGDTPLITGESLKNLIGFHVNHKNVATILTADAANPFGYGRIIRNSDDEVTKIVEQKDANDFEQQVKEINTGTYVFDNQSLFEALKDINTNNAQGEYYLTDVIGIFKEAGKKVGAYKLRDFDESLGVNDRVALATAEKVMRHRIARQHMVNGVTVVNPDSAYIDI--------DVEIGEESVIEPNVTLKGQTKIGKGTLLTNGSYLVDAQVGNDVTITN-SMVEESIISDGVTVGPYAHIRPGTSLAKGVHIGNFVEVKGSQIGENTKAGHLTYIGNAEVGCDVNFGAGTITVNYDGQNKFKTEIGSNVFIGSNSTLIAPLEIGDNALTAAGSTITDNVPIDSIAIGRGRQVNKEGYANKKPHHPSQK |
2OI7 Chain:A ((9-452)) | -----VILAAGKGTRMYSDLPKVLHTLAGKAMVQHVIDAANELGAAHVHLVYGHGGDLLKQALKDDNLNWVLQAEQLGTGHAMQQAAPFFADDE-DILMLYGDVPLISVETLQRL--RDAKPQGGIGLLTVKLDDPTGYGRITR-ENGKVTGIVEHKDATDEQRQIQEINTGILIANGADMKRWLAKLTNNNAQGEYYITDIIALAYQEGREIVAVHPQRLSEVEGVNNRLQLSRLERVYQSEQAEKLLLAGVMLRDP--ARFDLRGTLTHGRDVEIDTNVIIEGNVTLGHRVKIGTGCVIKN------SVIGDDCEISPYTVVEDANLAAACTIGPFARLRPGAELLEGAHVGNFVEMKKARLGKGSKAGHLTYLGDAEIGDNVNIGAGTITCNYDGANKFKTIIGDDVFVGSDTQLVAPVTVGKGATIAAGTTVTRNVGENALAISRVPQTQKEGW--RRP------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2OI7.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -220272 for 3615 contacts (-60.9/contact) +
2D Compatibility (PS) -47718 + (NN) -21957 + (LL) 364
1D Compatibility (HY) -35200 + (ID) 9550
Total energy: -334333.0 ( -92.48 by residue)
QMean score : 0.486
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