Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKITFIGAGSTIFAKNVLGDCLLTEALNGFEFALYDIDPKRLQESQ-LMLENLRDRYNPSVAINSYDDRKLALQNAGYVINAIQVGGYKPSTVIDFEIPKRYGLRQTIADTVGIGGIFRSLRTIPVLFDIAKDMEEMCPDAWFLNYTNPMATLTGAMLRY---TNIKTIGL-CHS-VQVCTKDLFKALGMEHDGIEERIAGINHMAWLLEVKKDGTDLYPEIKRRAKEKQKTKHHDMVRFELMDKFGYYVTESSEHNAEYHPYFIKRNYPELISELQIPLDEYPRRCVKQ-IENWEKMRDDIVNNKNLTHERSKEYGSRIIEAMETNEPFTFGGNVLNTGLITNLPSKAVVEVTCVADRKKITPCFAGELPEQLA-ALNRTNINTQLMTIEAAVTRKKEAVYQAAMLDPHTSAELSMKDIISMCDDLFAAHGDWLPEYK 3PQE Chain:A ((5-315)) VNKVALIGAGFVG--SSYAFALINQ-GI-TDELVVIDVNKEKAMGDVMDLNHGK-AFAPQPVKTS-YGTY-EDCKDADIVCICAGANQKPGET-RL-------EL---------------VEKNLKIFKGIVSEVMASGFDGIFLVATNPVDILTYATWKFSGLPKERVIGSGTTLDSARFRFMLSEYFGAAPQNVCAHIIG-EH----------GDTELPVWSHANVGG------VPV-SELVEKND---------------AY-KQ-E--ELDQIV-D------DVKNAAYHIIE----K--KG-A-TYYGVAMSLARITKAILHNENSILTVSTYLDGQY-G-ADDVYIGVPAVVNRGGIAGITELNLNEKEKEQFLHSAGVLKNILKPHFA---------------------------------------------

General information: TITO was launched using: RESULT: Template: 3PQE.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 : 1672 -27975 -16.73 -92.33 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -16.73 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.349

(partial model without unconserved sides chains): PDB file : Tito_3PQE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PQE-query.scw PDB file : Tito_Scwrl_3PQE.pdb: