Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVETITIFVLAIFVGYYVVWGVTPALHTPLMAVTNALSSIIVVGAMLQTVGLPVLGVDANVAFQSVNVVSVLGAIAVFLASINIFGGFAVTARMLEMFKPKQKK 3NB0 Chain:A ((521-558)) ---------LGVFPSYYEPWGYTPAECT-VMGVPSITTNVSGFGSYME--------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3NB0.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 : 139 -17772 -127.85 -467.67 target 2D structure prediction score : 0.18 Monomeric hydrophicity matching model chain A : 0.53 3D Compatibility (PKB) : -127.85 2D Compatibility (Sec. Struct. Predict.) : 0.18 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.215

(partial model without unconserved sides chains): PDB file : Tito_3NB0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NB0-query.scw PDB file : Tito_Scwrl_3NB0.pdb: