Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------MVAQAIRNIISPKSVI--AQYQKIDFSNKGTIPIRHLNIGFDGKEIDIEFYVNNQFAT----LFFATLSVFLTYGEDLVIETARHHREFIQ-----DPILKQRVTSLIGQEAIHSKLHNEFND-----------------AIKELEYPVDLYRFLGENFF-----KYVFLKFPQPLKLSLMAGIEHFTA---------------VLAEYMMKHEKNFYYTDDAKSRALWMWHMLEESEHKDIAY----------------DVYQILNGNYPLRATGFLMAFITILGLIPTATLLVPVLRKPKELLTRKFWKDARRGVNLIFSPK-DGVFGSTIGQIFDYLRPNFHPNDHDTTQYLEYYKNKLLNEGGAIAP----YFVKEFTPPVRAVS------------------------------------------- 4YZF Chain:A ((381-887)) GLVRDIRRRYPYYLSDITDAFSPQVLAAVIFIYFAALSPAITFGGLLGEKTRNQMGVSELLISTAVQGILFALLGAQPL--LVVGFSGPLLVFEEAFFSFCETNGLEYIVGRVWIGFWLILLVVLVVAFEGSFLVRFISRYTQEIFSFLISLIFIYETFSKLIKIFQDHPLQKTYLPNTALLSLVLMAGTFFFAMMLRKFKNSSYFPGKLRRVIGDFGVPISILIMVLVDFFIQDTYTQKLSVPDGFKVVIHPLGLRSEFPIWMMFASALPALLVFILIFLESQITTLIVSKPERKMVKGSGFHLDLLLVVGMGGVAALFGMPWLSATTVRSVTHANALTVMIQEVKEQRISGLLVAVLVGLSILMEPILSRIPLAVLFGIFLYMGVTSLSGIQLFDRILLLFKPPKYHPDVPYVKRVKTWRMHLFTGIQIICLAVLWVVKSTPASLALPFVLILTVPLRRVLLPLIFRNVELQCLD

General information: TITO was launched using: RESULT: Template: 4YZF.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 : 1122 -98333 -87.64 -309.22 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -87.64 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.181

(partial model without unconserved sides chains): PDB file : Tito_4YZF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YZF-query.scw PDB file : Tito_Scwrl_4YZF.pdb: