Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEERYSRQIRFKQIGEEGQKRLADSHVLIVGAGALGTAGAEGLSRAGVGTITIIDRDYVEWSNLQRQQLYTESDAKLRMPKAMAAKEHLSAINSEIHIEAYVTEG---------------TAETLEPLIEKADVVIDATDNFETRMLINDLAQKTKTPWVYGACVSSQGMFMT-------VIPGETPCLSCLFEQIPVG----GATCDTAGIIPPAVHIVSAYQQAEALKLLTGQKEA-----IQRGF-VTFDVWNNS--HMKINVNHVRREECPSCGANAVYPYLQD---------WNTPKAAVLCGRDTVQVRSESLKRIPKQELIKRLKTIGKVEANAFLLHIFYEDFRIVIFNDGRALVHGTNDVKEANSVLARVIGL 3RUI Chain:A ((15-317)) -NLKLMKW-RI--LPDLNLDIIKNTKVLLLGAGTLGCYVSRALIAWGVRKITFVDNGTVSYSNPVRQALYNFEDC--GKPKAELAAASLKRIFPLMDATGVKLSIPMIGHKLVNEEAQHKDFDRLRALIKEHDIIFLLVDSRESRWLPSLLSNIENKTVINAA-LGFDSYLVMRHGNRDEQSSKQLGCYFCHDVVAPTDSLTDRTLDQMSTVTRPGVAMMASSLAVELMTSLLQTKYSGSETTVLGDIPHQIRGFLHNFSILKLET--PAYEHCPACSPKVIEAFTDLGWEFVKKALEHPLYLEEISGLSVI----------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3RUI.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 : 1294 -139557 -107.85 -536.76 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -107.85 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.432

(partial model without unconserved sides chains): PDB file : Tito_3RUI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RUI-query.scw PDB file : Tito_Scwrl_3RUI.pdb: