Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MATPFWYNTALHLLKPFYRWRIKRRAESLELYQQECLERFGPFEAPKNVKAIWFHAVSVGETNAAQPLIEYYLKLGQPVLVTNTTKTGQARAKSLFLKEPYLDLFQAVYLPVDQKPLLKKFFELYQPKLLALVETELWPNLIDQAKLQHVPCLLLNARLSEKSAKGYGKVSGLTAGMLKQLDWVLAQDSATRQRYVELGLDEHKSQVVGNIKFDIHAPEAFIKQAAQLRQQWYLENRQVVTIASTHAPEEQQILEAFAPYLNSDRELVCIVVPRHPERFDEVFEICQNLNLITHRRSMGQSIHASTQVYLADSMGELWLWYALSQVCFVGGSLNEPGGGHNILEPMVLNVPTVVGPRYFNFQTIVDEFIDENAVLIAQDAQQVVDIWLACLAEPEATEQLVAQAHKVLQRNQGSLQKHIGVINRYLAEKS 2XCI Chain:B ((38-362)) ----------------------------------------------NCKGALWVHTASIGEFNTFLPILKELKR-EHRILLTYFSPRAREYLK-TKS----DFYDCLHPLPLDNPFSVKRFEELSKPKALIVVEREFWPSLII---FTKVPKILVNAYAKG---------SLIEKILSKKFDLIIMRTQEDVEKFKTFGA--KRVFSCGNLKFICQKGK--------G---IKL-KGEFIVAGSIHTGEVEIILKAFKEIKKTYSSLKLILVPRHIENAKIFEKKARDFGFKTSFF-----ENLEGDVILVDRFGILKELYPVGKIAIVGGTFVN-IGGHNLLEPTCWGIPVIYGPYTHKVNDLKEFLEKEGAGFEVKNETELVTKLTELLSVKKEI-KVEEKSREIKGC--------------------

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 B - contact count / total energy / energy per contact / energy per residue : 1731 -242617 -140.16 -746.51 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.69 3D Compatibility (PKB) : -140.16 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.476

(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: