Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRRDAHERLTERFEDYRIVRKLRRVPPHEVYEASVDSRRAVYKGDTGPTGNAAVEGRVTALVGRETAVPVPETLRVGDDCYVTAWHPDAPAPDSSDEADEAWAAAAGRGLATLHTETEPLVDGCGPFRAADGGVRVETADDWHAAAVDHVRHRRSVLAEYGHADVADAAVEFLRDRPDAFDGAGDPVCCHGWWTPEHVAVEDGRVACVVDFEHATAAPGEWDYWRTVTPTFAACDEDTTAARRAFRRGYESVRPFSPGFERRRPYYGLLNGVYYLQSLYVQDRHGPAATAERAARFRARIFETISELDRGRLGRTAHPSRRVAFARHTPTSVMSRFDAVLFDLDGTLCENEQDVEHLYFGAFERAEVEP---------FGAPSDL-------WAVLEGPP-TTPDEFEYYREGFRTVAAEHGRAEADVSAVAREFVDGIDYGAVSLLGGAEAALADAGVGHRVGLMTNGPEYRQSVKLEALGLEDAFEVVVYAGDMERRKPHTDPFDRAVEALGVDASATLYVGNSLKYDVAGAREAGLPVAWYPDG---DADPGSYDPDYVVESLAELADVLDGTVE 2HSZ Chain:A ((21-241)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TQFKLIGFDLDGTLVNSLPDLALSINSALKDVNLPQASENLVMTWIGNGADVLSQRAVDWACKQAEKELTEDEFKYFK---RQFGFYYGENLCNISRL---------YPNVK-----ETLEALKAQGYILAVVTNKPTKHVQPILTAFGIDHLFSEMLGGQSLPEIKPHPAPFYYLCGKFGLYPKQILFVGDS-QNDIFAAHSAGCAVVGLTYGYNYNIPIAQSKPDWIFDDFADILKI------

General information: TITO was launched using: RESULT: Template: 2HSZ.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 : 1065 -2590 -2.43 -12.88 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -2.43 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.168

(partial model without unconserved sides chains): PDB file : Tito_2HSZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2hsz-query.scw PDB file : Tito_Scwrl_2HSZ.pdb: