Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIQQLKELFGNQEA-VLELVQLEGGELALRNAGSAKEPL-----VKIQFSDELKAILGEQTPIVAQH---MIQAALFGLLEKQVNEWQA---EVVDEQPKFLS 5JDK Chain:A ((32-135)) LSLEEKIKLMRLVVRHKHELVDRKTSEFYAKIARIGYEDEGLAIHTESACRNQIISIMRVYEQRLAHRQPGMKTTPEEDELDQLCDEWKARLSELQQYREKFLV

General information: TITO was launched using: RESULT: Template: 5JDK.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 : 274 7589 27.70 82.48 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 27.70 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.294

(partial model without unconserved sides chains): PDB file : Tito_5JDK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5JDK-query.scw PDB file : Tito_Scwrl_5JDK.pdb: