Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRPTVLCFSGLDPSGGAGLQADIEAIGQSGAHAAIACTALTIQNSQQVFGSEATSKELLLAQANAVVGDLPIKCVKSGMLGTTDNIAALAEFLRAHPDYQYVLDPVLVANSGGSLGDQATLVKAFVELILLATLITPNTVELRALTG-----VTDLDQATQKLFEMGAKAVLVKGGHEDTPDFIKNSLYIDGELAASSTCPRLEGE-YHGSGCSLASFIAGRLALGDSLKIAVQHAETWLFGVLKNAETPVPNGQKIPKRF 1UB0 Chain:A ((17-246)) -----------------GVQADLKVFFRFGVYGTSALTLVTAQNTLGVQRVHLLPPEVVYAQIESVAQDFPLHAAKTGALGDAAIVEAVAEAVRRFGVRPLVVDPVM---------AKEAAAALKERLFPLADLVTPNRLEAEALLGRPIRTLKEAEEAAKALLALGPKAVLLKGGHL---EAVDLLATRGGVLRFSA--PRVHTRNTHGTGCTLSAAIAALLAKGRPLAEAVAEAKAYLTRALKTAPS------------

General information: TITO was launched using: RESULT: Template: 1UB0.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 : 1116 -57338 -51.38 -270.46 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -51.38 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.491

(partial model without unconserved sides chains): PDB file : Tito_1UB0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1UB0-query.scw PDB file : Tito_Scwrl_1UB0.pdb: