Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQLSDFSFELPDELIARYPLETRSASRLLHLDA-KGQYHDHMFTDIIDLFEEGDLLVLNDTKVMKARLKG-KRTTGGAIEILVERMPNHTTAYCHIKASNSPKAGAELFVGADNIPVIVRGRHEN---LFVVEFSQPILPVLEQYGQLPIPPYFNREAEEIDTERYQTVFHNPEKIASVAAPTASLHFDEELLAKLDQKGVKKTFVTLHVGAGTFMPVRTDDITNHVMHSEWCDVPQETIDLILATKARGNKVIAVGTTATRALESAAQAHGGKIAAWTGDTQIFIYPGYEFCIVDRLITNFHLPESTLLMLVSALSNRENILAAYEHAVKDRYHFFSYGDAMLIDKLEVLKLKLG 1YY3 Chain:A ((6-341)) -----FDFELPERLIAQVPLEQRDASRLMVLDKHTGELTDSSFKHIISFFNEGDCLVLNNTRVLPARLFGTKEDTGAKVELLLLKQETGDKWETLAKPAKRVKKGTVVTFGDGRLKAICTEELEHGGRKMEFQYDGIFYEVLESLGEMPLPPYIKEQLD--DKE--------------AAAPTAGLHFTEEILQQLKDKGVQIEFITLHVGLGTFR-----------MHAEFYQMSEETAAALNKVRENGGRIISVGTTSTRTLETIAGEHDGQFKASSGWTSIFIYPGYEFKAIDGMITNFHLPKSSLIMLVSALAGRENILRAYNHAVEEEYRFFSFGDAMLI-----------

General information: TITO was launched using: RESULT: Template: 1YY3.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 : 1561 -7633 -4.89 -24.78 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -4.89 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.427

(partial model without unconserved sides chains): PDB file : Tito_1YY3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YY3-query.scw PDB file : Tito_Scwrl_1YY3.pdb: