Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MREDEQMHIPAELLPDGADWLPVESGESGAAVLRDEA----GGRYVKVVPSSQVDELAAERDRIAWLASVGIPGPSVIEWRLTAHGGALVTSAVEGVPADRLDA---AGLRAAWPAIADILRRLHAVPVSDCPYGRGVDGMMTAARATVAEDRVQTEFLPVALQDVPPSRILADLESELPRRIVQEQAEAVVCHGDFCLPNILIAPDGSHVAGLIDVGRLGRADPYADIALLLANARETWPDESTARRADEDFAARYGID-LDSARQDFYLRLDPLTW 4GKH Chain:A ((26-272)) ----------------GYRWARDNVGQSGATIYRLYGKPNAPELFLKHGKGSVANDVTDEMVRLNWLTA-FMPLPTIKHFIRTPDDAWLLTTAIPGKTAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRLAQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKL-----LPFSPDSVVTHGDFSLDNLIFDE-G-KLIGCIDVGRVGIADRYQDLAILWNCLGE-FS-PSL----QKRLFQKYGIDNPDMNKLQFHLMLDEFF-

General information: TITO was launched using: RESULT: Template: 4GKH.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 : 1064 -10870 -10.22 -45.48 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -10.22 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.433

(partial model without unconserved sides chains): PDB file : Tito_4GKH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4gkh-query.scw PDB file : Tito_Scwrl_4GKH.pdb: