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

General information: TITO was launched using: RESULT: Template: 4IRK.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 : 1497 -115912 -77.43 -352.32 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -77.43 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.501

(partial model without unconserved sides chains): PDB file : Tito_4IRK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IRK-query.scw PDB file : Tito_Scwrl_4IRK.pdb: