Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MEFFGNKPFTQQPQRAITQANQLLDYKSWSEEDRKMFSQLHMREEQVLLAQDYALETARAEDLEQGLERGKVEGRAERKLFTFLDIVRQGLLTSEVASQ-----QLGMSVSEFEALL--------------------------------------------------------------------------------- 4NY2 Chain:A ((5-408)) PKGTIYLTFDDGPVNASVEVIKVLNQGGVKATFYFNAWHLDGIGDENEDRALEALKLALDSGHIVGNHSYDHMIHNCVEEFGPTSGADCNATGNHQIHSYQDPVRDAASFEQNLITLEKYLPTIRSYPNYKGYELARLPYTNGWRVTKHFQADGLCATSDNLKPWEPGYVCDPANPSNSVKASIQVQNILANQGYQTHGWDVDWAPENWGIPMPANSLTEAVPFLAYVDKALNSCSPTTIEPINSKTQEFPCGT--------PLH-ADKVIVLTHDFLFEDGK---------RGMGATQNLPKLAEFIRIAKEAGYVFDTMDNYTPRWSVGKTYQAGEYVLYQGVVYKAVISHTAQQDWAPSSTSSLWTNADPATNWTLNVSYEQGDIVNYKGKRYLVSVPHVSQQDWTPDTQNTLFTALEL

General information: TITO was launched using: RESULT: Template: 4NY2.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 : 362 22753 62.85 242.05 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : 62.85 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.132

(partial model without unconserved sides chains): PDB file : Tito_4NY2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NY2-query.scw PDB file : Tito_Scwrl_4NY2.pdb: