Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIIVTTCLLATGFLLTACGESQSSNESQQTTIQFMHSSVEQERLSVINELVADFEKENPDIKIKQVPVEESAFNTKIVT-LARSGKLPEVMEVSQDFAKVMDKDELIDQTAVQNVIEEAGEDNYYDGAKNL--VRSE---DGKSYIAAPISGWVQGIWYDKEKLSEAGFSEPE--NWDDILKIAQHFTDKENKQYGIAMPTAEGTMSEQAF-SQFALSNGANVLDDEGEVTIDTEKMREALSFYQNLSQYTMP---GSNDVTEIKDAFMNGTAPMAIYSTY---ILPSVYEAGNSENIGFAIPTQKDQAVYGTV---SGLTISSGLDEKQKEAAEAFTAFLSQPKNMEKWVLMSPGGAQPVNKQVVELDGYKENEVIKSFGELPSEIASAFDEVQVFGLVGEKNFTKMGDITSSGVIGKAVNQVTVGNEDVDQALADAQKNTK 4RYA Chain:A ((23-307)) ------------------------------------------------MQKLTDDFTKKNPGIDVKWVTLEENVLRQKVTTDVATKGGQYDVMTIGIYEAPIWGKQGWLAP------LDKLSADKDYDAADLLPPVRSGLTVDGKLY-AAPFYAESSMVMYRKDLFEKAGLKMPEAPTWDFIKEAADKITDKSKEVYGICLRGKAGWGENIAFLSAMSNSFGARWFDEQWKPQFDQPEWKKTLQFYVDLMKKNGPPGASSNGFNENLALFQTGKCGMWIDATVAASFVTNPKESKVADQVGFALAPDNGLGKRGNWLWSWNLAIPAG--SKKVEAAEKFIAW-------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4RYA.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 : 1192 56450 47.36 211.42 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 47.36 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.520

(partial model without unconserved sides chains): PDB file : Tito_4RYA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RYA-query.scw PDB file : Tito_Scwrl_4RYA.pdb: