Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRRDAHERLTERFEDYRIVRKLRRVPPHEVYEASVDSRRAVYKGDTGPTGNAAVEGRVTALVGRETAVPVPETLRVGDDCYVTAWHPDAPAPDSSDEADEAWAAAAGRGLATLHTETEPLVDGCGPFRAADGGVRVETADDWHAAAVDHVRHRRSVLAEYGHADVADAAVEFLRDRPDAFDGAGDPVCCHGWWTPEHVAVEDGRVACVVDFEHATAAPGEWDYWRTVTPTFAACDEDTTAARRAFRRGYESVRPFSPGFERRRPYYGLLNGVYYLQSLYVQDRHGPAATAERAARFRARIFETISELDRGRLGRTAHPSRRVAFARHTPTSVMSRFDAVLFDLDGTLCENEQDVEHLYFGAFERAEVEPFGAPSDLWAVLEGPP--------TTPDEFEYY----REGFRTVAAEHGRAEADVSAVAREFVDGIDYGAVSLLGGAEAALADAGVGHRVGLMTNGPEYRQSVKLEALGLEDAFEVVVYAGDMERRKPHTDPFDRAVEALGVDASATLYVGNSLKYDVAGAREAGLPVAWYPDGDAD-------PG-SYDPDYVVESLAELADVLDGTVE 3UMC Chain:B ((21-253)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GMRAILFDVFGTLVDWRSSLIEQFQALERELGGTLP--CVELTDRWRQQYKPAMDRVRNGQAPWQHLDQLHRQSLEALAGEFGLAL--DEALLQRITGF--WHRLRPWPDTLAGMHALKADYWLAALSNGNTALMLDVARHAGLP--WDMLLCADLFGHYKPDPQVYLGACRLLDLPPQEVMLCAAHN-YDLKAARALGLKTAFIARPLEYGPGQSQDLAAEQDWDLIASDLLDLHRQLAAS--

General information: TITO was launched using: RESULT: Template: 3UMC.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1001 -21597 -21.57 -101.39 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.61 3D Compatibility (PKB) : -21.57 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.200

(partial model without unconserved sides chains): PDB file : Tito_3UMC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3umc-query.scw PDB file : Tito_Scwrl_3UMC.pdb: