Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIQFKNISKHYQLKGQTIRALDQINLEIPEGSIFGIIGYSGAGKSTLIRLINLLERPNEGQVIINQKDFTALDARSLRQ-ERANIGMIFQHFNLLQTKTVAENIEMPMRLLNYSKA----EREKRLNESLEFIDLKHK-KDAYPDELSGGQKQRVGIARALANHPKILLCDEATSALDPQTTKSVLELLKKINQEQKITIVMVTHEMDVIETVCDHVAVMEAGKVIEQGSTIDIFSNPQHPTTKNFIQTVLHQQLPVNILNQLENQHHHSIYCLQFLGRSAQEPVIQSLIKQFDISLNILFANMTEINGTVIGQMFVQLLGDPQLIRQAIEFLEKNEVSVVQSGDQV 1F3O Chain:A ((2-208)) -IKLKNVTKTYKMGEEIIYALKNVNLNIKEGEFVSIMGPSGSGKSTMLNIIGCLDKPTEGEVYIDNIKTNDLDDDELTKIRRDKIGFVFQQFNLIPLLTALENVELPL-IFKYRGAMSGEERRKRALECLKMAELEERFANHKPNQLSGGQQQRVAIARALANNPPIILADEPTGALDSKTGEKIMQLLKKLNEEDGKTVVVVTHDINV------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1F3O.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 : 953 8949 9.39 44.52 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : 9.39 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.424

(partial model without unconserved sides chains): PDB file : Tito_1F3O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1F3O-query.scw PDB file : Tito_Scwrl_1F3O.pdb: