Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKLFKEVKLEELENQKGSGLGKAQCAALWLQCASGGTIGCGGGAVACQNYRQFCR------------------------ 2KBR Chain:A ((1-80)) MDRKVAREFRHKVDFLIENDAEKDYLYDVLRMYHQTMDVAVLVGDLKLVINEPSRLPLFDAIRPLIPLKHQVEYDQLTPR

General information: TITO was launched using: RESULT: Template: 2KBR.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 : 95 -9133 -96.14 -163.09 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.53 3D Compatibility (PKB) : -96.14 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.149

(partial model without unconserved sides chains): PDB file : Tito_2KBR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2KBR-query.scw PDB file : Tito_Scwrl_2KBR.pdb: