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

General information: TITO was launched using: RESULT: Template: 3INR.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 : 568 -16142 -28.42 -83.21 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -28.42 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.382

(partial model without unconserved sides chains): PDB file : Tito_3INR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3INR-query.scw PDB file : Tito_Scwrl_3INR.pdb: