Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQSTGAPSLFDDGQIGTGGNNNSQSQVKLQAINLIDLLHDGFYLIFLIRNQYVPADPQRFREKILDLLNRFEQQAKKLQFSADDIHDAKYAFCALIDETIVTQQDPSYFNLQNSWLISPLQLSLFGSQLAGYQFFE-ILEQLRSRGKDRLAALEVFHYCLLLGFQGKYRIESIES----LNHLVARVGDEIDYLKGKKVAFSPFSAIPDQIRNIIHRELPFFWILIFLLIFALLTFAGLRFMLNNQNDKALSNYQNVISAPQEQAHITIYLP 3U66 Chain:A ((12-159)) -------------------------------------IFYPGWLMVSQLRSGQPVEDGKALYRRACQLVKQAREELAEAGFSQKSSDIMLYAFCALLDESVLNRE-------WRTWQQDPLQAHFFGTLNAGEELWERIREQLKLPAPD-VAVLTCLCRTLQLGFTGQYRSQDDERREDVIRALTARV-------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3U66.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 : 534 -73482 -137.61 -532.48 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -137.61 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.566

(partial model without unconserved sides chains): PDB file : Tito_3U66.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3U66-query.scw PDB file : Tito_Scwrl_3U66.pdb: