Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNLSKKTIIALVVAAIALILAICVFVWKKPQSSSSSQENSASTQDHPVEKAEVLPYLNLTETKANYAVPFCEKKNCIDVDIQTIKT-QDAWLNSWIEKNQAKVIQAQ--INLKKDLSLQQAINAYVKKSDEWQDK---------Y--SKNRAYELHIRTRIASQRNQYVLLQLALDSKQEEITIKDRYYFFVADRKLHKNLTLFDVLKKDQQPTVHQIVQTAYQDWLKKQTADVKKQ--A--PKTLYWGQADWFFDGEGVGLHYQANQITKDA-PQLDIYLTTEQTKKILQPQVYEQMF 3S5T Chain:A ((35-260)) -------------------------------------------------------------------------ACNLTINFAYPVKSTDNKLKDSLNSYFIAACFGEGYIGEKPAQVVKEYTEHYVKEYRTDLEPMYAEDEKNK-SIGAWYSYYKGIESHVQLYYKNLLVYRINYNEYTGGAHGIYMTTFLNMDLINLRPLKLDDIFTGDYKEALTDLLWNQLMADKKVTTHEALEDMGYGSTGDIA-PTENFYLDKDGITFYYNVYDITPYAMGPVEIKIPYEMMEHMLGSNPIIG--

General information: TITO was launched using: RESULT: Template: 3S5T.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 : 754 1186 1.57 5.84 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : 1.57 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.427

(partial model without unconserved sides chains): PDB file : Tito_3S5T.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3S5T-query.scw PDB file : Tito_Scwrl_3S5T.pdb: