Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKMKYYEETSALLHEFSEENQKYFEELWESFNLAGFLYDEDYLREQIYLMMLDFSEAERDGMSAEDYLGKNPKKIMKEILKGAPRSSIKESLLTPILVLAVLRYYQLLGDFSKGPLLTVNLLTFLGQLLIFLIGFGLVATILRRSLVQDSPKMKIGTYIVVGTIVLLVVLGYVGMASFIQEGAFYIPAPWDSLSVFTISLVIGIWNWKEAVFRPFVSMIIAHLVVGSLLRYYEWMGISNVFLTKVIPLAVLFIGIFLLFRGFKKIKWSEVQSKSRCKAVFCYNEGKNVRN 2O4T Chain:A ((3-81)) ---------HVSRVEKLPKDYQIVYKEIQKYLFKVGP-VELNEGIGLLSEILGFFEEGAAAGKGVLDVTGTDVAAFCDALIGD-SKT-YAD--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2O4T.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 : 232 -33199 -143.10 -420.23 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.43 3D Compatibility (PKB) : -143.10 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.43 QMean score : 0.724

(partial model without unconserved sides chains): PDB file : Tito_2O4T.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2O4T-query.scw PDB file : Tito_Scwrl_2O4T.pdb: