Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------MESRLMKNKRYFFDTILI-----ILLLISTIFCVSPVFIKLDILGTPSHAILTFVLAIPLFY---ILSQCLHTLLLLVSSI--FCKLRP-IYFYFIFVIIIGARKYY---RILFHQLMGFSPGIAVFYK-----ESQTTKNLFKFYYFLYFTTLISY--YFFFTFVYDKPLLLPLISFSII---IALVQKLYRIENQQLFLLKSKVLTILESKKNCEFNLQDYHEIWKLQSKSELPCVALSYISLIKPYLSESVRE-QIDLLEVKRFKKINHPISLYGMLDVIKLNLYLRHYNEKNKYESMLKKILEVRPDFVL--------IEQNIDDSLNSSQPLSLSLAISEIQLLLEVYMGIKHVSIRR--------------------------------------------------------------- 5LJ3 Chain:S ((37-556)) ILDLEELREYQRRKRTEYEGYLKRNRLDMGQWIRYAQFEIEQHDMRRARSIFERALLVDSSFIPLWIRYIDAELKVKCINHARNLMNRAISTLPRVDKLWYKYLIVEESLNNVEIVRSLYTKWCSLEPGVNAWNSFVDFEIRQKNWNGVREIYSKYVMAHPQMQTWLKWVRFENRHGNTEFTRSVYSLAIDTVANLQNLQIWSDMEVAKLVNSFAHWEAAQQEYERSSALYQVAIEKNQLLKAGLLD-FEKQFNSIEETISYKRKMDYETILSNYDTWWLYLDLISEFPKQIMQTFEKAIVDSKNVQWKRYIYLWMRYICYVELESLLEEELFQRLIDDIFSKIWLMYAKFLIRDVPKARKILGKAIGTFKGYIELEVKLEFDRVRKIYEKFIEFQDLQIWSQYGELEENGDWDRVRGIYTIALDEKEAKIVLLQKYITFEARKLYRRYLELNPQSWIEFAMYQT

General information: TITO was launched using: RESULT: Template: 5LJ3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain S - contact count / total energy / energy per contact / energy per residue : 1117 -62963 -56.37 -191.38 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain S : 0.66 3D Compatibility (PKB) : -56.37 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.203

(partial model without unconserved sides chains): PDB file : Tito_5LJ3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5LJ3-query.scw PDB file : Tito_Scwrl_5LJ3.pdb: