Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTPDTSMKRVVVKIGSSSLTSLHGEISIRKLEALVDQVVKLKDAGYEVILVSSGAVAAGYR--KLGFIQ------RPEKLPEKQASASIGQGLLMEAYSKLFLAHGYVASQILITRSDFSD--EYR---------Y------NNV-RNTMNVLLERGIIPIINENDTVTVNRLKFGDNDTLAAKVAGLIDADMLVILSDIDGLYDGNPRTNPEAKKIQRVSEITPDIEACAGDTGSIVGTGGMRSKLDAFKIVMASGIK-GFLGQADAGDILYH-AVHEQAEGTYFEAEGTLPLNQKEQWIAFNSGPEGEMILSDDCSRKITNGQSSLYLDGVQKIKGKFKSGSVVRLMDSKGTEIGLGIVNYSSVQLQEPEKKKELTNRALIDQEAFVCHVDFSLPVN 2BUF Chain:A ((23-298)) ---RFVGKTLVIKYGGNAMESE------ELKAGFARDVVLMKAVGINPVVVHGGGPQIGDLLKRLSIESHFIDGMRVTDAATMDVVEMVLGGQVNKDIVNLINRHGGSAI--GLTGKDAELIRAKKLTVTRQIIDIGHVGEVTGVNVGLLNMLVKGDFIPVIAPIGVGSNGESYNINADLVAGKVAEALKAEKLMLLTNIAGLMDKQGQ------VLTGLST--EQVNELI---ADGTIYGGMLPKIRCALEAVQGGVTSAHIIDGRVPNAVLLEIFTDSGVGTLISNRK-------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2BUF.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1222 -4069 -3.33 -16.95 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -3.33 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.451

(partial model without unconserved sides chains): PDB file : Tito_2BUF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BUF-query.scw PDB file : Tito_Scwrl_2BUF.pdb: