Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRIRKAPAGILGFPVAPFNTQGKLEEEALFQNIEFLLNEGLEAIFIACGSGEFQSLSQKEYEQMVEVAVSAAGGKVPVYTGVGGNLSTALDWAQLSEKKGADGYLILPPYLVHGEQEGLYQYAKTIIESTDLNAILYQRDNAVLSVEQIKRLT-ECEQLVGVKDGVGNMDLNINLVYTIGDRLGWLNGMPMAEVTMPAYLPIGFHSYSSAISNYIPHISRMFYDALKNGNDELVKELYRHVILPINDIRKQRKGYAVSLIKAGMEIMGLNVRNTARPPVGPVEKDHYQQLEAILKQAADRFPKKAATV 4UR8 Chain:C ((12-296)) --------SGLLSFPVTHFDAEGRFAADSYREHVEWLAGYKAPVLFAAGGTGEFFSLKPDEIPTIVAAAKEVAG-ETAIVSGCGYGTEIAVDIARSVEKVGADGILLLPHYLIDAPQEGLYAHIKKVCQSVGIGVMVYNRDNSVLQADTLARLCDECPNLVGFKDGTGDIGLVRQITAKMGDRLMYLGGMPTAELFAEAYLGAGFTTYSSAVFNFVPGLANEFYAALRAGERATCERILVDFFYPFMAIRNRAKGYAVSAVKAGVRLQGFNA-GPVRAPLKDLTNEEIGMLEALI--------------

General information: TITO was launched using: RESULT: Template: 4UR8.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1579 -219071 -138.74 -771.38 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain C : 0.81 3D Compatibility (PKB) : -138.74 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.568

(partial model without unconserved sides chains): PDB file : Tito_4UR8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4UR8-query.scw PDB file : Tito_Scwrl_4UR8.pdb: