Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNKWLSFFSGKVQLELTGRGIERLLNECTRQGIPVFHVKKKKEAVSLYIQLQDVHAFRRVRSKFKCKARFINRKGFPFLLLKSKLNIGFTIGFAIFFILLFLLSNMVWKIDVTGAKPETEHQMRQHLNEIGVKKGRLQFLMMSPEKIQKSLTNGIDNITWVGVDLKGTTIHMKVVEKNEPEKEKYVSPRNIVAKKKATITRMFVQKGQPMAAIHDHVEKGQLLVSGLIGSEDHQQEVASKAEIYGETWYRSEVTVPLETLFNVYTGKVRTKHKLSFGSLAIPIWGMTFKKEELKHPKTEQEKHSLHFLGFKLPVSYVKEQTRESEEALRKYTKE--EAVQEGIK-LGKQDVEDKIGENGEVKSEKVLHQTVENGKVKLIILYQVIEDIVQTTPIVRETEE 4UN3 Chain:B ((755-860)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MGRHKPENIVIEMAR--------NSRERMKRIEEGIKELGSQILKEHPVENTQLQNEKLYLYYLQNGR-------------------------

General information: TITO was launched using: RESULT: Template: 4UN3.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 : 99 19774 199.74 346.91 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain B : 0.55 3D Compatibility (PKB) : 199.74 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.578

(partial model without unconserved sides chains): PDB file : Tito_4UN3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4UN3-query.scw PDB file : Tito_Scwrl_4UN3.pdb: