Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKEWEKWTDKETKEFQDQFIQWYEQEKR-NLPWRYNRDPYRIWISEIMLQQTRVDTVIDYFYRFMEWFPTIEELANAPEEKLLKAWEGLGYYSRARNIQAAAKQIMSEFDGEMPQTPEEISSLKGIGPYTTGAIASIAFGLPEPAVDGNVMRVVSRLFCIEADIAKASSRKIFDEAMRKIIDEKHPGEFNQAMMDLGSAICTPTSPKCETCPIQAFCLANKRGIQTSFPVKTKKAKPKDVYYISAALQNHSGAYYFEERDSQKLLANMWTFPMMEVTQEEYERLKKEWETKPEIDLFDDLVAEEEQNLPFEKQELFVWQTRHLGEVTHIFSHLKWHVLLFYGRATEGAEQEFTENKTSKWLKPDAFDSVVFPKVQMKLVDQLEKNRNNRNPF 1KG6 Chain:A ((2-224)) -----------QASQFSAQVLDWYDKYGRKTLPWQIDKTPYKVWLSEVMLQQTQVATVIPYFERFMARFPTVTDLANAPLDEVLHLWTGLGYYARARNLHKAAQQVATLHGGKFPETFEEVAALPGVGRSTAGAILSLSLGKHFPILDGNVRRVLARCYAVSGWPGKKEVENKLWSLSEQVTPAVGVERFNQAMMDLGAMICTRSKPKCSLCPLQNGCIAAANNSWALYPGKKP---------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1KG6.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 : 1030 -11852 -11.51 -53.39 target 2D structure prediction score : 0.77 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -11.51 2D Compatibility (Sec. Struct. Predict.) : 0.77 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.577

(partial model without unconserved sides chains): PDB file : Tito_1KG6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KG6-query.scw PDB file : Tito_Scwrl_1KG6.pdb: