Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDKTMKDIQAEVDRYIGQFKEGYFSPLAMMARLTEELGELAREVNHRYGEKPKKATEDDK---SMEEEIGDVLFVLVCLANSLDISLEEAHDRVMHKFNTRDKDRWTRKEEGK 2OIE Chain:A ((33-107)) ---------------------EQFHQPRNLLLALVGEVGELAELFQWKSDTEPGPQAWPPKERAALQEELSDVLIYLVALAARCHVDLPQA---VISKM---------------

General information: TITO was launched using: RESULT: Template: 2OIE.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 : 130 -1177 -9.05 -16.35 target 2D structure prediction score : 0.79 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -9.05 2D Compatibility (Sec. Struct. Predict.) : 0.79 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.407

(partial model without unconserved sides chains): PDB file : Tito_2OIE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2OIE-query.scw PDB file : Tito_Scwrl_2OIE.pdb: