Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIVGALAVFVITYALFSAAGYLFPVDQEWYNSLKKPDWTPSGTAIGIIWAILFALISLSAAIVYAAFSFKGAKSFWFTLLINYVLNQAFSYFQFTQKNLLAASLDCLLVAITAIVLLIIAK------KYSRAASYLLLPYFLWSAFATFLSFTINSMNL 4UC2 Chain:A ((27-149)) ----------------------------DEWYDNLNKPWWNPPRWVFPLAWTSLYFLMSLAAMRVAQLEGSGQALAFYAAQL---AFNTLWTPVFFGMKRMATA------LAVVMVMWLFVAATMWAFFQLDTWAGVLFVPYLIWATATTGLNFEAMRLN-

General information: TITO was launched using: RESULT: Template: 4UC2.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 : 399 -80665 -202.17 -689.44 target 2D structure prediction score : 0.79 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -202.17 2D Compatibility (Sec. Struct. Predict.) : 0.79 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.380

(partial model without unconserved sides chains): PDB file : Tito_4UC2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4UC2-query.scw PDB file : Tito_Scwrl_4UC2.pdb: