Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIKSYTSIWAVEKVIYAINDFQLPFPVTFNQMAWFVLSLLFVIVFAHVPPLSMIEEVFLKYLGIPVAVTWFMSQKTFDGKKPLGFLRSFISYHLRFKVTFAGKKVKEQKKRWDEPSTLVRSVNYVSD 2MUA Chain:A ((1-21)) -------------------------------------------------------------------------------------------------YLGRSGGDIIKKMQTLWDEIM-----------

General information: TITO was launched using: RESULT: Template: 2MUA.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 : 7 57 8.14 2.71 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.41 3D Compatibility (PKB) : 8.14 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.41 QMean score : 0.555

(partial model without unconserved sides chains): PDB file : Tito_2MUA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2MUA-query.scw PDB file : Tito_Scwrl_2MUA.pdb: