Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIMLQKIYEQMANFYDSIEEEYGPTFGDNFDWEHVHFKFLIYYLVRYGIGCRKDFIVYHYRVAYRLYLEKLVMNRGFISC 5NXB Chain:A ((127-153)) -------------------------LGKGFSWPYVNLQLTAYYVVRWILGAK----------------------------

General information: TITO was launched using: RESULT: Template: 5NXB.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 : 29 -4702 -162.12 -174.13 target 2D structure prediction score : 0.81 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -162.12 2D Compatibility (Sec. Struct. Predict.) : 0.81 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.168

(partial model without unconserved sides chains): PDB file : Tito_5NXB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5NXB-query.scw PDB file : Tito_Scwrl_5NXB.pdb: