Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLENIKQTITRWDERNPWTNVYGL------------------ARSIIALSSLLTLLINHP----SLIMKPASGI--------------SSYPACKMNLSLF---CLGENNYMMLNLFRWVCIAILVLVVIGWRPRITGVLHWYVSYSLQSS---------LIVID---GGEQAAAVMTFLLL--PITLTDPRKWHWSTRPIEGKRTLGKITAFISYFVIRIQVAVLY----------FHSTVAKLSQQEWVDGTAVYY----FAQEKTIGFNGFFQALTKPIVT--SPFVVIPTWGTLLVQIVIFAALFA----PKKHWRLILIIAVF------MHEIFAVMLGLISFSIIMAGILILYLTPIDSTIQFT---YIRRLLWNKKHKKGEVSV--------------------------- 4WW4 Chain:A ((3-458)) QISEVRGN-TRDHRTAAHTHIKGLGLNSSGIAEKQAAGFVGQCAAREACGVVVDLIKAHKMAGRGVLLAGGPGTGKTALALAISQELGTKIPFCPITGSEIYSTEVKKTEVLMENFRRAIGLRVRETKDVYEGEVSTLLIGLKSARGQKLDQKERVQVGDVIYIETNTGACRSDAYATEFDLEAEEYVPIPKGEVHKKKEIVQDVTLHDLDVANARPDIISMMGQLMKPKMTEITDKLRMEINKVVQKYINQGVAELIPGVLFIDEAHMLDIECFTYLNKALESPIAPIVVLAS-NRGIATIRGADDLKAAHGIPPDFLQRLLIIPTHPYEPDEIRRIVRIRAQTEGVQLTDAAVDRVAEHGVRISLRYCLQLLAPASILARVNGRTQVDVQDIAEAEELFLDARRSANILTSTGGLH

General information: TITO was launched using: RESULT: Template: 4WW4.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 : 1157 -143589 -124.10 -467.72 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -124.10 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.133

(partial model without unconserved sides chains): PDB file : Tito_4WW4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WW4-query.scw PDB file : Tito_Scwrl_4WW4.pdb: