Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPIDTQLTTLFCLIDDFCTDITQNVEQYMLTYGQTKRLRQSKIHASEVITLLLWFHLTGSRNFKAFYLYWAKPFLCSYFTNLPSYSRFIELKAKYAMYFVALIESLKVHSAGIAFIDSTKLAVCHNKRIHQHRVFADSASRGKTSVDWFYGFKIHLICDHIGRLVSYCITTGNVDDRKVLPDLIEHSKPKGKLFGDRGYVGTNWKSRLAEVGVQLITRVKRNMKPQVLAPFDHAVLRKRGIIEAPFKLMKSQFDLEHSRHRSKMGLLTTIFAALTLYALVLVNGYKSGIQQILKPIDLNSA 5B22 Chain:A ((1-209)) PSIIVE-------------------PHVTAVWGKNVSLKC-LIEVNETITQISWEKIHGKSTQTVAVHH--PQYGFSVQGDYQGRVLFKNYSLNDA--------TITLH--NIGFSDS-------GKYICKAVTFPLGNAQSSTTVTVLVEPTVSLI-----KGPDSLIDGGN--ETVAAVCVAATGKPV---------AQIDWEGDLGEMESSTTSFPNET-----------------ATIVSQYKLFPTRFA----RGRRITCVVK----------------HPALEKDIRYSFILDIQ

General information: TITO was launched using: RESULT: Template: 5B22.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 : 1082 -94414 -87.26 -451.74 target 2D structure prediction score : 0.26 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -87.26 2D Compatibility (Sec. Struct. Predict.) : 0.26 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.068

(partial model without unconserved sides chains): PDB file : Tito_5B22.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5B22-query.scw PDB file : Tito_Scwrl_5B22.pdb: