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

General information: TITO was launched using: RESULT: Template: 4FEW.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 : 1045 -3171 -3.03 -13.38 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -3.03 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.521

(partial model without unconserved sides chains): PDB file : Tito_4FEW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4few-query.scw PDB file : Tito_Scwrl_4FEW.pdb: