Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLSTSRSRFIRNTNESGEEVTTFFDYDYGAPCHKFDVKQIGAQLLPPLYSLVFIFGFVGNMLVVLILINCKKLKCLTDIYLLNLAISDLLF-LITLPL-WAHSAANEWVFGNAMCKLFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWLVAVFASVPGIIF----------TKCQKEDSVYVCGPYFPRGWNNFHTIMRNILGLVLPLLIMVICYSGILKTLLRCRNE---KKRHRAVRVIFTIMIVYFLFWTPYNIVILLNTFQEFFGLSNCESTSQLDQATQVTETLGMTHCCINPIIYAFVGEKFRSLFHIALGCRIAPLQKPVCGGPGVRPGKNVKVTTQGLLDGRGKGKSIGRAPEASLQDKEGA |
4LDE Chain:A ((148-463)) | ----AKSRWYNQTPNRAKRVITTFRTGTWDAYAADEVWVVGMGIVMSLIVLAIVFG---NVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGAAHILTKTWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQEAINCYAEET---CCDFFT---NQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLQ-KFALKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQD--NLIRKEVYILLNW-------IGYVNSGFNPLIYC-RSPDFRIAFQELLCL---------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4LDE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -256054 for 2100 contacts (-121.9/contact) +
2D Compatibility (PS) -30394 + (NN) -5413 + (LL) 3596
1D Compatibility (HY) -26800 + (ID) 4050
Total energy: -319115.0 ( -151.96 by residue)
QMean score : 0.249
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