Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MISKKSKDKEELKMTAIYNSVTELIGKTPIVKL---NKIVPEDSADVFVKLEFFNPGGSVKDRIALSMIEKAEHDGLLKPGDTIIEPTSGNTGIGLSMVGVAKGYKVIIVMPETMSIERRLLMKGYGAELILTPGADGISGSIREAERLAKE-NGYFLPLQFENEANPLVHEKTTGPEIHQAFGVNGLDAFVAGIGTGGTITGAGRELKRVYPKSRINRGRTSRICYFRRERSGTSQNPRNRYRFCS 5HBG Chain:B ((3-201)) ----------------IITTMQDAIGRTPVFKFTNKDYPIPLNSA-IYAKLEHLNPGGSVKDRLGQYLIGEGFKTGKITSKTTIIEPTAGNTGIALALVAIKHHLKTIFVVPEKFSTEKQQIMRALGALVINTPTSEGISGAIKKSKELAESIPDSYLPLQFENPDNPAAYYHTLAPEIVQELGTN-LTSFVAGIGSGGTFAGTARYLKERIPAIRL------------------------------

General information: TITO was launched using: RESULT: Template: 5HBG.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 : 971 7743 7.97 39.71 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : 7.97 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.462

(partial model without unconserved sides chains): PDB file : Tito_5HBG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HBG-query.scw PDB file : Tito_Scwrl_5HBG.pdb: