Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMELQFPLHNDTSRKIIHIDMDAFFASVEERDHPEFRGHPLVIARHPSDTGGRGVVTTANYEARKFGIHSAMSAQKAYELCPQAIFKPGDHHKYSDISKQVREVFYRYTDIVEPVSIDEAYLDVTENKI--NCKSAIKIARMIQADIWESVQLTCSAGVSYNKFLAKLASDYQKPRGITVVAPQDAVPFLKALPIEKFHGVGKKTVPRMHELGIYTGKDLYECTEMMLIRNFGKM-GYSLYRKVRGIHDSPVNVTRERKSVGKEHTYGQPLQTEEAVLTQLRQLAEKVEEALRRVQKHGKTVVLKVRYTDYSTVTKRVTLPEYIYKKEALFYQASLIWEEILGVEKGIRLLGITLTNLDPMTYENIVLPLWENQEI 4F4Y Chain:B ((3-278)) ---------------VIFVDFDYFFAQVEEVLNPQYKGKPLVVCVYSGRTKTSGAVATANYEARKLGVKAGMPIIKAMQIAPSAIYVPMRKPIYEAFSNRIMNLLNKHADKIEVASIDEAYLDVT-NKVEGNFENGIELARKIKQEILEKEKITVTVGVAPNKILAKIIADKSKPNGLGVIRPTEVQDFLNELDIDEIPGIGSVLARRLNELGIQKLRDILSKNYNELEKITGKAKALYLLKLAQDEYNEPIR-TRVRKSIGRYLTL--PYNTRD-VKVILPYLKKAINEAYNKVN--------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4F4Y.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1200 -27208 -22.67 -99.66 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.71 3D Compatibility (PKB) : -22.67 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.480

(partial model without unconserved sides chains): PDB file : Tito_4F4Y.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4F4Y-query.scw PDB file : Tito_Scwrl_4F4Y.pdb: