Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MELHFNLELVETYKSNSQKARILTEDWVYRQSYCPNCGNNPLNHFENNRPVADFYCNHCSEEFELKSKKGNFSSTINDGAYATMMKRVQADNNPNFFFLTYTKNFEVNNFLVLPKQFVTPKSIIQRKPLAPTARRAGWIGCNIDLSQVPSKGRIFLVQDGQVRDPEKVTKEFKQGLFLRKSSLSSRGWTIEILNCIDKIEGSEFTLEDMYRFESDLKNIFVKNNHIKEKIRQQLQILRDKEIIEFKGRGKYRKL 4ESJ Chain:B ((4-257)) MELHFNLELVETYKSNSQKARILTEDWVYRQSYCPNCGNNPLNHFE----VADFYCNHCSEEFELKSKKGNFSSTINDGAYATMMKRVQADNNPNFFFLTYTKNFEVNNFLVLPKQFVTPKSIIQRKP---------WIGCNIDLSQVPSKGRIFLVQDGQVRDPEKVTKEFKQGLFLRKSSLSSRGWTIEILNCIDKIEGSEFTLEDMYRFESDLKNIFVKNNHIKEKIRQQLQILRDKEIIEFKGRGKYRKL

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 B - contact count / total energy / energy per contact / energy per residue : 1098 -104991 -95.62 -435.65 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.98 3D Compatibility (PKB) : -95.62 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.98 QMean score : 0.477

(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: