Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MELHFNLELVETYKSNSQKARILTEDWVYRQSYCPNCGNNPLNHFENNRPVADFYCNHCSEEFELKSKKGNFSSTINDGAYATMMKRVQADNNPNFFFLTYTKNFEVNNFLVLPKQFVTPKSIIQRKPLAPTARRAGWIGCNIDLSQVPSKGRIFLVQDGQVRDPEKVTKEFKQGLFLRKSSLSSRGWTIEILNCIDKIEGSEFTLEDMYRFESDLKNIFVKNNHIKEKIRQQLQILRDKEIIEFKGRGKYRKL 4ESJ Chain:A ((4-257)) MELHFNLELVETYKSNSQKARILTEDWVYRQSYCPNCGNNPLNHF----PVADFYCNHCSEEFELKSKKGNFSSTINDGAYATMMKRVQADNNPNFFFLTYTKNFEVNNFLVLPKQFVTPKSIIQRKPLA------GWIGCNIDLSQVPSKGRIFLVQDGQVRDPEKVTKEFKQGLFLRKSSLSSRGWTIEILNCIDKIEGSEFTLEDMYRFESDLKNIFVKNNHIKEKIRQQLQILRDKEIIEFKGRGKYRKL

General information: TITO was launched using: RESULT: Template: 4ESJ.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 : 1082 -102548 -94.78 -420.28 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.99 3D Compatibility (PKB) : -94.78 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.99 QMean score : 0.406

(partial model without unconserved sides chains): PDB file : Tito_4ESJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ESJ-query.scw PDB file : Tito_Scwrl_4ESJ.pdb: