Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MATPFWYNTALHLLKPFYRWRIKRRAESLELYQQECLERFGPFEAPKNVK-AIWFHAVSVGETNAAQPLIEYYLKLGQPVLVTNTTKTGQARAKSLFLKEPYLDLFQAVYLPVDQKPLLKKFFELYQPKLLALVETELWPNLIDQAKLQHVPCLLLNARLSEKSAKGYGKVSGLTAGMLKQLDWVLAQDSATRQRYVELGLDEHKSQVVGNIKFDIHAPEAFIKQAAQLRQQWYLENRQVVTIASTHAPEEQQILEAFAPYLNSDRELVCIVVPRHPERFDEVFEICQNLNLITHRRSMGQSIHASTQVYLADSMGELWLWYALSQVCFVGGSLNEPGGGHNILEPMVLNVPTVVGPRYFNFQTIVDEFIDENAVLIAQDAQQVVDIWLACLAEPEATEQLVAQAHKVLQRNQGSLQKHIGVINRYLAEKS 2XCI 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: 2XCI.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 : 1452 -16912 -11.65 -59.13 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -11.65 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.368

(partial model without unconserved sides chains): PDB file : Tito_2XCI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XCI-query.scw PDB file : Tito_Scwrl_2XCI.pdb: