Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLQFQQVGYWYKNKSQPLF--QDINISFQKGKFYTIVGTSGTGKTTFLSLAGGLDAPKEGNILYDGKAVSKIG---LTNFRNQYVSIVFQAYNLLPYMTALQNVTTAM--EITGSKE-KNKESYALDMLQKVGINEKQARQKVLTLSGGQQQRVSITRAFCCDTDLIVADEPTGNLDEDTSKEIVRLFQDLAHKEDKCVIMVTHDEQIAKVSDINIRLSRGSFTVKENVAVV 1F3O Chain:A ((2-229)) ---IKLKNVTKTYKMGEEIIYALKNVNLNIKEGEFVSIMGPSGSGKSTMLNIIGCLDKPTEGEVYIDNIKTNDLDDDELTKIRRDKIGFVFQQFNLIPLLTALENVELPLIFKYRGAMSGEERRKRALECLKMAELEERFANHKPNQLSGGQQQRVAIARALANNPPIILADEPTGALDSKTGEKIMQLLKKLNEEDGKTVVVVTHDINVARFGERIIYLKDGEVEREEKL---

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 : 1143 -110960 -97.08 -504.36 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -97.08 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.532

(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: