Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSFSSLQDKGMKNSEFLKGEVSFEQKAKILLEALSSIPNFVGETFVIKCGGITISDETLFNTFVHNVVLLKQLGINPVIVHDGEYEIDSVLKILGINSKFVNDIRLTDKDTMRIIEMVLCGSINKKIVQHINSAGGSAIGLCGKDGNLIKAEKISTTLRENGSNNVEKILDMGFIGIPTEINPDILFFIEESDFIPVIAPIGHGKNGETYHIDADGAAGAIAVAVSASKMIIFSDVCEEMDKIDGR---KISVKNLNASINCGKIKGERFVEKLTACAKMVEECAGIAHIVNGRIPN-IMIDLFTESNSSVSIVNDL |
2BUF Chain:E ((9-296)) | ------------------------QVAKVLSEALPYIRRFVGKTLVIKYGGNAMESEELKAGFARDVVLMKAVGINPVVVHGGGPQIGDLLKRLSIESHFIDGMRVTDAATMDVVEMVLGGQVNKDIVNLINRHGGSAIGLTGKDAELIRAKKLTVT-----------IIDIGHVGEVTGVNVGLLNMLVKGDFIPVIAPIGVGSNGESYNINADLVAGKVAEALKAEKLMLLTNIAGLMDK-QGQVLTGLSTEQVNELIADGTIYGG-MLPKIRCALEAVQGGVTSAHIIDGRVPNAVLLEIFTDSGVGTLISNRK |
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General information:
TITO was launched using:
| RESULT:
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Template: 2BUF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -208951 for 2361 contacts (-88.5/contact) +
2D Compatibility (PS) -30133 + (NN) -13678 + (LL) 1944
1D Compatibility (HY) -26400 + (ID) 6250
Total energy: -283468.0 ( -120.06 by residue)
QMean score : 0.477
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