Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MREDEQMHIPAELLPDGADWLPVESGESGAAVLR----DEAGGRYVKVVPSSQVDELAAERDRIAWLASVGIPGPSVIEWRLTAHGGALVTSAVEGVPA----DRLDAAGLRAAWPAIADILRRLHAVPVSDCPYGRGVDGMMTAARATVAEDRVQTEFLPVALQDVPPSRILADLESELPRRIVQEQAEAVVCHGDFCLPNILIAPDGSHVAGLIDVGRLGRADPYADIALLLANARETWPDESTARRADEDFAARYGIDL-DSARQDFYLRLDPLTW 4FEX Chain:A ((26-271)) ----------------GYRWARDNVGQSGATIYRLYGKPNAPELFLKHGKGSVANDVTDEMVRLNWLTAF-MPLPTIKHFIRTPDDAWLLTTAIPGKTAFQVLEEYPDSGENIV-DALAVFLRRLHSIPVCNCPFNSDRVFRLAQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLPF-----SPDSVVTHGDFSLDNLIF--DEGKLIGCIDVGRVGIADRYQDLAILWNCLGEFSP--SLQKR----LFQKYGIDNPDMNKLQFHLMLDEF--

General information: TITO was launched using: RESULT: Template: 4FEX.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 : 1027 -7411 -7.22 -31.27 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -7.22 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.465

(partial model without unconserved sides chains): PDB file : Tito_4FEX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4fex-query.scw PDB file : Tito_Scwrl_4FEX.pdb: