Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTPGDRMMASALGSWTRLAPFAGLDPAAFEAEELWRREDPGQVRIVLRMRGGAGQDLVFKRVFQPQ-DRGRWAEALDGQRRAVRALMRDPVHVPPAILAEDAETLSTVQDFVPGRTLQDHMLLRFD---KPGARAQVLQRAGRFLAAFHGATAEGDKPF-----NPATMLDYIRALGRRALSGDLTLADPDLFAVLAEGLEAAAQTAAGQPVRVAAQHGDLHARNLIVSGK-RATLIDFAQDRSAPVQYDMARLIVDLGARFSGDAAPEATCGLPAADLAALSDGYGRDLSQDACLAFLCRCRVLQDWAALPAVASQRSAFQQERLLQLQKTATRLAAA 5UXD Chain:A ((5-253)) ---------EDLDALLDLAARHGLDLDGGTLRTE----EIGLDFRVAFARAHDGGDWVLR-LPRRPDVLERAAVEGRLLAMLAP----HLDVAVPDWRIST--SELIAYPLLPGSPGLTVAADGEVSWHVDMASTVYARSLGSVVAQLHAVDAEAAAATGIEVRSPAQVRGAWRQDLARVGAE------FEIAPALRERWEAWLADDGCWPGHSVLTHGELYPAHTLVEDERITAVLDWTTAAVGDPAKDLMFHQVSAP----------------SAIFEVALQAYAEGGG------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5UXD.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 : 969 -19861 -20.50 -83.10 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -20.50 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.198

(partial model without unconserved sides chains): PDB file : Tito_5UXD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5uxd-query.scw PDB file : Tito_Scwrl_5UXD.pdb: