Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEEVREYGKKSQPKIRYSQFDAEDIRKELLERYGMEMPVECRLFDYGMNDIYRIKTKKETYFLRISLAGLHTKKDYEEEMHILNILIQNGIKAAAPVKMRGMPGRQEDYVWELHAPEGIRYAMLFTEAPNSPS-DDKESSACNLGSMLAGIHNISDREKFQVSRPPI----DMCQLVEKPLSNIRPFLAD------RE------QDFSFLKESAEKLAGYIKG----KL-PETAPVYGFCHGDVHSGNVFFA-GDKPTLFDFDCMGYGWRSYDICVYAWNETFLDENYIEGSVWKKYLEGYESVRPLSAEEKETIPAFAALRQLWLMGLHADVMDRNAGCCWYQDDYFDSQIKMFRLWLDRCSL 2Q83 Chain:A ((16-304)) ------------------AKKLTELAENVLQGWDVQ-AEKIDVIQ---ALVWKVHTDSGAVCLKRIHRPE---KKALFSIFAQDYLAKKGMNVPGIL-----PNKKGSLYSKH----GSFLFVVYDWIEGRPFELTVKQDLEFIMKGLADFHTASVGYQPPNGVPIFTKLGRWPNHYTKRCKQMETWKLMAEAEKEDPFSQLYLQEIDGFIEDGLRIKDRLLQSTYVPWTEQLKKSPNLCHQDYGTGNTLLGENEQIWVIDLDTVSFDLPIRDLRKMIIPLLDTT-GVWDDETFNVMLNAYESRAPLTEEQKQVMFIDML--------------------------------------------

General information: TITO was launched using: RESULT: Template: 2Q83.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 : 1012 -44141 -43.62 -168.48 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -43.62 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.334

(partial model without unconserved sides chains): PDB file : Tito_2Q83.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2q83-query.scw PDB file : Tito_Scwrl_2Q83.pdb: