Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALNIENIVAELKEATILELNDLVKAIEEEFGVSAAAPVAVAAAGGAAAAEEQTEFTVELTAAGDQKVKVIKAVREATGLGLKEAKAVVDGAPAPVKEGVSKEEAEELKAKLEEVGASVTVK 1RQS Chain:A ((48-120)) -------------------------------------------------AEEKTEFDVILKAAGANKVAVIKAVRGATGLGLKEAKDLVESAPAALKEGVSKDDAEALKKALEEAGAEVEVK

General information: TITO was launched using: RESULT: Template: 1RQS.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 : 274 -26115 -95.31 -357.74 target 2D structure prediction score : 0.84 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -95.31 2D Compatibility (Sec. Struct. Predict.) : 0.84 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.778

(partial model without unconserved sides chains): PDB file : Tito_1RQS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1RQS-query.scw PDB file : Tito_Scwrl_1RQS.pdb: