Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLSFLVSLVVAIVIGLIGSAIVGNRLPGGIFGS------MIAGLIGAWIGHGLLGTWGPSLAGFAIFPAIIGAAIFVFLLGLIFRGLRKEA 2KKE Chain:A ((1-53)) --------------------MVGRRPGGGLKDTKPVVVRLYPDEIEALKSRVPANTSMSAYIRRIILNHLEDE------------------

General information: TITO was launched using: RESULT: Template: 2KKE.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 : 48 -6873 -143.19 -146.23 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.50 3D Compatibility (PKB) : -143.19 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.50 QMean score : -0.051

(partial model without unconserved sides chains): PDB file : Tito_2KKE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2KKE-query.scw PDB file : Tito_Scwrl_2KKE.pdb: