Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRRDAHERLTERFEDYRIVRKLRRVPPHEVYEASVDSRRAVYKGDTGPTGNAAVEGRVTALVGRETAVPVPETLRVGDDCYVTAWHPDAPAPDSSDEADEAWAAAAGRGLATLHTETEPLVDGCGPFRAADGGVRVETADDWHAAAVDHVRHRRSVLAEYGHADVADAAVEFLRDRPDAFDGAGDPVCCHGWWTPEHVAVEDGRVACVVDFEHATAAPGEWDYWRTVTPTFAACDEDTTAARRAFRRGYESVRPFSPGFERRRPYYGLLNGVYYLQSLYVQDRHGPAATAERAARFRARIFETISELDRGRLGRTAHPSRRVAFARHTPTSVMSRFDAVLFDLDGTLCENEQDVEHLYFGAFERAEVEPFGAPSDLWAVLEGP-------------PTTPDEFEYYREGFRTVAAEHGRA-EADVSAVA-REFVDGIDYGAVSLLGGAEAALADAGV-GHRVGLMTNGPEYRQSVKLEALGLEDAFEVVVYAGDMERRKPHTDPFDRAVEALGVDASATLYVGNSLKYDVAGAREAGLPVAWYPDGDADP-G---SYDPDYVVESLAELADVLDGTVE 3K1Z Chain:A ((1-238)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MRLLTWDVKDTLLRLRHPLGEAYATKARAHGLEV--EPSALEQGFRQAYRAQSHSFPNYGLSHGLTSRQWWLDVVLQTFHLAGVQDAQAVAPIAEQLYKDFSHPCTWQVLDGAEDTLRECRTRGLRLAVISNFDR-RLEGILGGLGLREHFDFVLTSEAAGWPKPDPRIFQEALRLAHMEPVVAAHVGDNYLCDYQGPRAVGMHSFLVVGPQALDPVVRDSVPKEHILPSLAHLLPALDCL--

General information: TITO was launched using: RESULT: Template: 3K1Z.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 : 1044 -14830 -14.20 -68.03 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -14.20 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.221

(partial model without unconserved sides chains): PDB file : Tito_3K1Z.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3k1z-query.scw PDB file : Tito_Scwrl_3K1Z.pdb: