Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVLDANIKAQLNQYMQLIENDIVLKVSAGEDDTSKDMLALVDELASMSSKISVEKAELNRTPSFSVNRVGEDTGVTFAGIPLGHEFTSLVLALLQVSGRPPKVDQKVIDQVKKISGEYHFESYISLTCHNCPDVVQALNMMSVLNPNITHTMIDGAAYKAEVESKNIMAVPTVYLNGESFGSGRMTLEEILAKMGSGTDASEFADKEPFDVLVVGGGPAGASAAIYTARKGIRTGVVAERFGGQVLDTMSIENFISVKATEGPKLAASLEEHVKEYDIDVMNLQRAKRLEKKDLFELELENGAVLKSKTVILSTGARWRNVNVPGEQEFKNKGVAYCPHCDGPLFEGKDVAVIGGGNSGIEAAIDLAGIVNHVTVLEFAPELKADE-VLQKRLYSLPNVTVVKNAQTKEITGDQSVNGITYVDRETGEEKHVELQGVFVQIGLVPNTEWLEG-TVERNRMGEIIVDKHGATSVPGLFAAGDCTDSA--YNQIIISMGSGATAALGAFDYLIRN 3F8D Chain:A ((10-318)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VKPGEKFDVIIVGLGPAAYGAALYSARYMLKTLVIGETPGGQLTEAGIVDDYLGLIEIQASDMIKVFNKHIEKYEVPVLLD-IVEKIENR-EFVVKTKRKGEFKADSVILGIGVKRRKLGVPGEQEFAGRGISYCSVADAPLFKNRVVAVIGGGDSALEGAEILSSYSTKVYLIHRRDTFKAQPIYVETVKKK-PNVEFVLNSVVKEIKGDKVVKQVVVENLKTGEIKELNVNGVFIEIGFDPPTDFAKSNGIETDTNGYIKVDEWMRTSVPGVFAAGDCTSAWLGFRQVITAVAQGAVAATSAYRYVTE-

General information: TITO was launched using: RESULT: Template: 3F8D.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 : 1844 -143645 -77.90 -474.07 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -77.90 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.544

(partial model without unconserved sides chains): PDB file : Tito_3F8D.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3F8D-query.scw PDB file : Tito_Scwrl_3F8D.pdb: