Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKVSNLSRYRKEKGLSQTELAKKMNVTQQCVSSWQTGRTIPKPYQMKMLSEILSVPINELFSDVFNKVNS 2XI8 Chain:A ((3-61)) ---INNLKLIREKKKISQSELAALLEVSRQTINGIEKNKYNPSLQLALKIAYYLNTPLEDIF---------

General information: TITO was launched using: RESULT: Template: 2XI8.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 : 201 -27342 -136.03 -463.42 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -136.03 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.661

(partial model without unconserved sides chains): PDB file : Tito_2XI8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XI8-query.scw PDB file : Tito_Scwrl_2XI8.pdb: