Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSYKENLNPSSYTSKFTTPSSATAAQRVLRKEPYVSTFTTPSDNLLAQRTQLSRITPSASSSVPGRVAVSTEMPSQNTALAEMPKRKFTIDDFDIGRPLGKGKFGNVYLAREKQNKFIMALKVLFKSQLEKEGVEHQLRREIEIQSHLRHPNILRMYNYFHDRKRIYLMLEFAPRGELYKELQKHGRFDEQRSATFMEELADALHYCHERKVIHRDIKPENLLMGYKGELKIADFGWSVHAPSLRRRTMCGTLDYLPPEMIEGKTHDEKVDLWCAGVLCYEFLVGMPPFDSPSHTETHRRIVNVDLKFPPFLSDGSKDLISKLLRYHPPQRLPLKGVMEHPWVKANSRRVLPPVYQSTQSK |
3W2C Chain:A ((1-260)) | ---------------------------------------------------------------------------------------WALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQ------------EVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKLSKFDEQRTATYITELANALSYC---------IKPENLLLGSAGELKIAD-----------------TLDYLPPEMIE-------VDLWSLGVLCYEFLVGKPPFEANTYQ--YKRISRVEFTFPDFVTEGARDLISRLLKHNP-----------HPWITANS-------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3W2C.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -124781 for 1458 contacts (-85.6/contact) +
2D Compatibility (PS) -21305 + (NN) -9300 + (LL) 9420
1D Compatibility (HY) -28000 + (ID) 7100
Total energy: -181066.0 ( -124.19 by residue)
QMean score : 0.286
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