Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASKDFHVVAETGIHARPATLLVQTASKFASDITLEYKGKSVNLKSIMGVMSLGVGQGADVTISAEGADADDAIAAISETMEKEGLA 1KA5 Chain:A ((1-86)) MEQNSYVIIDETGIHARPATMLVQTASKFDSDIQLEYNGKKVNLKSIMGVMSLGVGKDAEITIYADGSDESDAIQAISDVLSKEGL-

General information: TITO was launched using: RESULT: Template: 1KA5.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 : 451 -63142 -140.00 -734.21 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.90 3D Compatibility (PKB) : -140.00 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.633

(partial model without unconserved sides chains): PDB file : Tito_1KA5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KA5-query.scw PDB file : Tito_Scwrl_1KA5.pdb: