Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKMKYYEETSALLHEFSEENQKYFEELWESFNLAGFLYDEDYLREQIYLMMLDFSEAERDGMSAEDYLGKNPKKIMKEILKGAPRSSIKESLLTPILVLAVLRYYQLLGDFSKGPLLTVNLLTFLGQLLIFLIGFGLVATILRRSLVQDSPKMKIGTYIVVGTIVLLVVLGYVGMASFIQEGAFYIPAPWDSLSVFTISLVIGIWNWKEAVFRPFVSMIIAHLVVGSLLRYYEWMGISNVFLTKVIPLAVLFIGIFLLFRGFKKIKWSEVQSKSRCKAVFCYNEGKNVRN 3VJF Chain:A ((5-75)) --LNKLVEHIKELLQQLNKNWH----------RHQGNLHDMNQQMEQLFQEFQHFMQGNQDDGKLQNMIH-EMQQFMNQVDNHL---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3VJF.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 : 47 -8021 -170.65 -112.96 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.44 3D Compatibility (PKB) : -170.65 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.44 QMean score : 0.277

(partial model without unconserved sides chains): PDB file : Tito_3VJF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VJF-query.scw PDB file : Tito_Scwrl_3VJF.pdb: