Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIDAKKLRNDFPILFQDVNDEPLVYLDNAATTQKPKQVLQALAYYYEHDNANVHRGVHTLAERATHDYEQAREKVRAFIHAKETAEVLFTRGTTTSLNWVARTFGDRYIKAGDEIVLSYMEHHSNVIPWQQLAKRTGAVLKYIELTEEGFLDMEDAAKKITDKTKIVSIAHVSNVLGVFNPVQELAELVHENGGVIVVDGAQSAPHMAIDVQALDCDFFAFSGHKMCGPTGIGVLYGKRKWLEEMEPVEFGGEMIDFVELYDSTWKELPWKFEAGTPNIAGAIALGHAIDYLQKLGMDNIHRYEEELAAYVLPKLQAIDGLTVYGPQDPNFRTGVVAFNLDGLHPHDVATALDMEGVAVRAGHHCAQPLLKYLEVSATARASFYFYNTTQDADRLVEAIMATKEFFQHGTI 4W91 Chain:B ((19-421)) -YDVEAIRRDFPILSRQVHGKTLVYLDNGASAQKPQSVIDAVTHAYANEYANVHRGLHFLSNAATDAYEKSRETVRRFLNAGSVDEIVFTKNATEAINTVAYGYGMPFIGEGDEILLSIMEHHSNIVPWHFIRERQGAKLVFTPVDDNGVFHIEEFEKRLSERTKLVAITHMSNTLGTVVPIKKIVELAHARGIPVLVDGSQGAVHLPVDVQDLGCDWYVFTGHKVYGPSGIGVLYGRAQMLEKMRPFQGGGEMIEEVTEENVTYNHPPHRFEAGTPPIVQAIGLGAALEYMEKIGRHAILAHEADLRDYAHERLGRINSLRIFGNAP--DKGAIISFALEGIHAHDVSMVIDRAGVAVRAGTHCAQPLLKRFGVTSTCRASFALYNTRAEVDALAEALEKARKFF-----

General information: TITO was launched using: RESULT: Template: 4W91.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2385 -271974 -114.04 -674.87 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.85 3D Compatibility (PKB) : -114.04 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.533

(partial model without unconserved sides chains): PDB file : Tito_4W91.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4W91-query.scw PDB file : Tito_Scwrl_4W91.pdb: