Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence KLCKWTVLNSEGEIIESGS----CLNTEYMKHGDIHVEFENDCTPIIFG- 1AYJ Chain:? ((2-51)) KLCERPSGTWSGVCGNNNACKNQCINLEKARHGSCNYVFPAHKCICYFPC

General information: TITO was launched using: RESULT: Template: 1AYJ.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 : 165 -14746 -89.37 -327.68 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -89.37 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.035

(partial model without unconserved sides chains): PDB file : Tito_1AYJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1ayj-query.scw PDB file : Tito_Scwrl_1AYJ.pdb: