Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPIDTQLTTLFCLIDDFCTDITQNVEQYMLTYGQTKRLRQSKIHASEVITLLLWFHLTGSRNFKAFYLYWAKPFLCSYFTNLPSYSRFIELKAKYAMYFVALIESLKVHSAGIAFIDSTKLAVCHNKRIHQHRVFADSASRGKTSVDWFYGFKIHLICDHIGRLVSYCITTGNVDDRKVLPDLIEHSKLKGK---LFGDRGYVGKNWKSRLAEVGVQLITRVKRNMKPQVLAPFDHAVLR--KRGII-EALFKLMKSQFDLEHSRHRSKMGLLTTIFAALTLYALVLVNGYKSGIQQILKPIDLNSA 2Q1S Chain:A ((26-116)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NASKLANTNVMVVGGAGFVGSNLVKRLLELGVNQVHVVDNLLSAEKINVPDHPAVRFSETSITDDALLASLQDEYD-----------------------------------------------

General information: TITO was launched using: RESULT: Template: 2Q1S.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 : 259 -5417 -20.92 -77.39 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain A : 0.52 3D Compatibility (PKB) : -20.92 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.205

(partial model without unconserved sides chains): PDB file : Tito_2Q1S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2Q1S-query.scw PDB file : Tito_Scwrl_2Q1S.pdb: