Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLNSEFQPNWLYPPSEVIKNFIQLNNIDTSAFDVSTKKIIDDLVNQNTKIDLYTSEVLKEAIGGTTQFWLNIQNQFTINSLRIQNSSVDNNFSEYRNLVNELKKLHWTPESKYDYLDQINLKSFFGISEFSLLTKKYIVQHNLRVKFKNIGQYNSSELNVATLIRKAELEAKKQPILSPWNKLLFIEKLQEIKKLSKVKGFKNFRNELLSICNQCGVAFIVLDTLNKSPIRGISKFLDSNIGLIIVTTKYNKDDVFWQTFFHEAGHLVLHSKEMVFSDQGDLNKEASHNLEEAQADEFMLTHILHPYTIEEVTNMFNTRIMYKSKTESWRNICQIARQVNISPSLLTGILKFQGIIPYSYFTNGHEKLYD 3DVW Chain:A ((110-143)) --------------------------------DVANSHIFDAMVNQ--KIKLQNPEVLKKWLGEQTAF--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3DVW.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 : 61 -9287 -152.24 -273.13 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -152.24 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.539

(partial model without unconserved sides chains): PDB file : Tito_3DVW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DVW-query.scw PDB file : Tito_Scwrl_3DVW.pdb: