Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MATPFWYNTALHLLKPFYRWRIKRRAESLELYQQECLERFGPFEAPKNVK-AIWFHAVSVGETNAAQPLIEYYLKLGQPVLVTNTTKTGQARAKSLFLKEPYLDLFQAVYLPVDQKPLLKKFFELYQPKLLALVETELWPNLIDQAKLQHVPCLLLNARLSEKSAKGYGKVSGLTAGMLKQLDWVLAQDSATRQRYVELGLDEHKSQVVGNIKFDIHAPEAFIKQAAQLRQQWYLENRQVVTIASTHAPEEQQILEAFAPYLNSDRELVCIVVPRHPERFDEVFEICQNLNLITHRRSMGQSIHASTQVYLADSMGELWLWYALSQVCFVGGSLNEPGGGHNILEPMVLNVPTVVGPRYFNFQTIVDEFIDENAVLIAQDAQQVVDIWLACLAEPEATEQLVAQAHKVLQRNQGSLQKHIGVINRYLAEKS 2XCU Chain:A ((23-309)) --------------------------------QFEVLKRFFPKESLKNCKGALWVHTASIGEFNTFLPILKE-LKREHRILLTYFSPRAREYLKT---KSDFYDCLHP--LPLDNPFSVKRFEELSKPKALIVVEREFWPSLIIFTK---VPKILVNA---------YAKGSLIEKILSKKFDLIIMRTQEDVEKFKTFGAKRVFS--CGNLKFICQKG-----KGIKLKGEF-------IVAGSIHTGEVEIILKAFKEIKKTYSSLKLILVPRHIEN-AKIFE--KKARDFGFKTSFFENLEGD--VILVDRFGILKELYPVGKIAIVGGTFVNI-GGHNLLEPTCWGIPVIYGP--------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2XCU.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 : 1455 -18438 -12.67 -64.47 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -12.67 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.356

(partial model without unconserved sides chains): PDB file : Tito_2XCU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XCU-query.scw PDB file : Tito_Scwrl_2XCU.pdb: