Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMNHQFSSLERDRMLTDMTKKTYDLFIIGGGITGAGTALDAASRGMKVALSEMQDFAAGTSSRSTKLVHGGLRYLKQFEVKMVAEVGKERAIVYENGPHVTTPEWMLLPFHKGGTFGSFTTSIGLRVYDFLAGVKKSERRSMLSAKETLQ-KEPLVKKDGLKGGGYYVEYRTDDARLTIEVMKEAVKFGAEPVNYSKVKELLYEKGKAVGVLIEDVLTKKEYKVYAKKIVNATGPWVDQLREKD-HSKNGKHLQHTKGIHLVFDQSVFPLKQAVYFDTPDGRMVFAIPREGK-TYVGTTDTVYKEALEHPRMTTEDRDYVIKSINYMFPELNITANDIESSWAGLRPLIHEEGKDPSEISRKDEIWTSD----SGLITIAGGKLTGYRKMAEHIVDLVRDRLKEEGEKDFGPCKTKNMPISGGHVGGSKNLMSFVTAKTKEGIAAGLSEKDAKQLAIRYGSNVDRVFDRVEALKDEAAKRNIPVHILAEAE--YSIEEEMTATPADFFVRRTGRLFFDINWVRTYKDAVIDFMSERFQWDEQAKNKHTENLNKLLHDAVVPLEQ 2R45 Chain:A ((27-471)) ---------------------------------------------LSVLMLEAQDLACATSSASSKLIHGGLRYLEHYEFRLVSEALAEREVLLKMAPHIAFPMRFRLP-HRPHLRPAWMIRIGLFMYDHLG------KRTSLPGSTGLRFGANSVLKPEIKRGFEYSDCWVDDARLVLANAQMVVRKGGEVLTRTRATSARRENGLWI-VEAEDIDTGKKYSWQARGLVNATGPWVKQFFDDGMHLPSPYGIRLIKGSHIVVPR-VHTQKQAYILQNEDKRIVFVIPWMDEFSIIGTTDVEYKGDPKAVKIEESEINYLLNVYNTHFKK-QLSRDDIVWTYSGVRPLCDDESDSPQAITRDYTLDIHDENGKAPLLSVFGGKLTTYRKLAEHALEKLTPYY-----QGIGPAWTKESVLPGGAIEGDRDDYA---ARLRRRYPF-LTESLARHYARTYGSNSELLLGNAGTVSDLGEDFG---HEFYEAELKYLVDHEWVRRADDALWRRT----------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2R45.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 : 2302 -115613 -50.22 -265.17 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -50.22 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.337

(partial model without unconserved sides chains): PDB file : Tito_2R45.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2R45-query.scw PDB file : Tito_Scwrl_2R45.pdb: