Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLIFPLLNDLSRKIIHIDMDAFFAAVEIKDNPKLRGKPVIIGSDPRQTGGRGVVSTCSYEARAFGVHSAMSSKEAYERCPQAVFISGNYEKYKAVGLQIRAIFKRYTDLIEPMSIDEAYLDVTENKLGIKSAVKIARLIQKDIWQELHLTASAGISYNKFLAKMASDYQKPHGLTVILPEQAEDFLKQMDISKFHGVGKKTVERLHQMGVFTGADLLEVPEVTLIDRFGRLGYDLYRKARGIHNSPVKSNRIRKSIGKEKTYGKILRAEEDIK--KELTLLSEKVALNLHQQEKAGKIVIL------KIRYEDFSTLTKRKSIAQKTQDASQISQIALQLYEELSEKERGVRLLGITMTGF 4IR9 Chain:A ((2-338)) ----------SRKIIHVDMDCFFAAVEMRDNPALRDIPIAIGGSRER---RGVISTANYPARKFGVRSAMPTGMALKLCPHLTLLPGRFDAYKEASNHIREIFSRYTSRIEPLSLDEAYLDVTDSVHCHGSATLIAQEIRQTIFNELQLTASAGVAPVKFLAKIASDMNKPNGQFVITPAEVPAFLQTLPLAKIPGVGKVSAAKLEAMGLRTCGDVQKCDLVMLLKRFGKFGRILWERSQGIDERDVNSERLRKSVGVERTMA------EDIHHWSECEAIIERLYPELERRLAKVKPDLLIARQGVKLKFDDFQQTTQ-EHVWPRLNKADLIA-TARKTWDE-RRGGRGVRLVGLHVT--

General information: TITO was launched using: RESULT: Template: 4IR9.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 : 1486 -107922 -72.63 -328.03 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -72.63 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.433

(partial model without unconserved sides chains): PDB file : Tito_4IR9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IR9-query.scw PDB file : Tito_Scwrl_4IR9.pdb: