Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLEAVHTEKQWERSATELPPFIIKRLPVRLTFDNNYFNDRYQVIPIGGYNVIIENILKDVEVGLGVDCFDYREELEASANKVAFTGMIDQYFDYKHGELEYRSLRFKHEVLDEENHQGNAVVNYTDREIPYTRIIEHKKFE-YGLQPKTVITHEYPADWKRGDEPYYPINDEKNNAIFSKYHEEASQNDKVIFCGRLADYKY 3KYB Chain:B ((155-349)) -----YTIKQWGMQPSELPASILKRLPVRFNYDDNYFNHKFQGMPKCGYTQMIKSILNHENIKVDLQ-REFIVDERTHYDHVFYSGPLDAFYGYQYGRLGYRTLDFK-KFIYQGDYQGCAVMNYCSVDVPYTRITEHKYFSPWEQHDGSVCYKEYSRACEENDIPYYPIRQMGEMALLEKYLSLAENETNITFVGRLGTYRY

General information: TITO was launched using: RESULT: Template: 3KYB.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 : 557 -17120 -30.74 -88.25 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -30.74 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.308

(partial model without unconserved sides chains): PDB file : Tito_3KYB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KYB-query.scw PDB file : Tito_Scwrl_3KYB.pdb: