Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLQAENIKKAYGKKTIVKGISFSLKKGESFGLLGPNGAGKSTTISMISGLVPHDSGNITVGGYVIGKETAKAKQKIGIVPQEIALYPTLTAHENLMFWGKMYGLTHGEAKKRAAEVLEYVGLTERAKDKIETFSGGMKRRINIGAALMHKPELLIMDEPTVGIDPQSRNHILETVKQLN-ETGMTVIYTSHYMEEVEFLCDRIGIIDQGEMIAIGTKTDLCSRLGGDTIIQLTVSGINEAFLVAIRSLAHVNDVTVHELELKIDISAAHHEKVVTSLLAEATAHHINLLSLQVQEPNLERLFLNLTGRTLRD 3RLF Chain:A ((3-227)) SVQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDT-PPAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYPAD--------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3RLF.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 : 1122 -138337 -123.30 -617.58 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -123.30 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.572

(partial model without unconserved sides chains): PDB file : Tito_3RLF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RLF-query.scw PDB file : Tito_Scwrl_3RLF.pdb: