Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTRPKKAGQQKKTESKAIDSLDKKLGGPNRPST 2ROD Chain:B ((17-43)) AELPPEFAAQLRKIGDKVYCTWSA-------PDM

General information: TITO was launched using: RESULT: Template: 2ROD.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 7 -267 -38.07 -9.87 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.69 3D Compatibility (PKB) : -38.07 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.639

(partial model without unconserved sides chains): PDB file : Tito_2ROD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ROD-query.scw PDB file : Tito_Scwrl_2ROD.pdb: