Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRIARIAVATYMGLAVNMGLAVNAVQAATTFLNVSYDPT--REFYQEYNQAFGKFWKQRTGQDVDFKQSHGGSGKQARAVA---TGLEADVVTLALANDIDEIVKAGFIQP--NW----QKEFP---------NNSAPYTSTVVFLVRKGNPK-NIRDWNDLTKPGVE-----IIT-PNPKTGGAPRWIYLSAWGYALKQPGG---NDAKAKELVKKLYHNVNVLDLGARGSLTTFAERGIGDVLLSWENEALLATKGLDKDKYEIVYPSIS-ILAEPSVAIVDKTVDKDGNRTLAKGYLNFLYSPLGQELAAK-HYFRPRNPQVAAK--YAAQFPKIKLF------TINDVFGGWAKAQKTHFANGAIFDQIYDGKQ 3PU5 Chain:A ((4-324)) ---------------------------ADDHIYVTSSGGSFLENVRKHMAEPFEKQ----SGVKVTLVPG--TNPAHALKILSSRGTPPYDVAAFGGN-DMYRLIRAKKLAQVDEKSVPSLADVPEKFKADWEGCGSLYDYSSVGIAYRPDKIQGGVKSWKEFVERTVAGEFGKQVFFNNLSSNVRGA-EVL---SMFGKIYGSGYGDIEASIATLERMKPHIFKFFTAFN-DPVVLLTSGEGAIGPGWDGRTFIAEDSTK-GMVKWVDPTEGAVSSGPVMAVVKGG----K-EDLAKAFMNYALGEEAQKAFCEAMYYGAVNRKVQYSEKLKHRLPSIDSVQLVDTALLIKNMSALLDLWNKRIA-------------

General information: TITO was launched using: RESULT: Template: 3PU5.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 : 1502 34366 22.88 122.30 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 22.88 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.484

(partial model without unconserved sides chains): PDB file : Tito_3PU5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PU5-query.scw PDB file : Tito_Scwrl_3PU5.pdb: