Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNDKTARQKILDAAATLFYNDGITATGINTVTAKADVAKMSLYNNFSSKGELVDAYIAARHQEWLDLYQKRLEKTKTAKEAILAVFDAYQDHAEFAYEKGFRGCGLLNAAAEFPANSSGRNAVRQHKEQVEAIVAEHLNRL----LKDSQRVSYIASQLSFLLEGSMARAGLEGSSRQLQLARQMAEDILDRECQHD 3BQZ Chain:A ((2-186)) ----NLKDKILGVAKELFIKNGYNATTTGEIVKLSESSKGNLYYHFKTKENLFLEILNIEESKWQEQWKKEQIKAKTNREKFYLYNELSLTTQYY--YPL--QNAIIEFYTEYYKTNSINEKMNKLENKYIDAYHVIFKEGNLNGEWSINDVNAVSKIAANAVNGIVTFTHEQNINERIKLMNKFSQIFLNGL----

General information: TITO was launched using: RESULT: Template: 3BQZ.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 : 628 -45140 -71.88 -249.39 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -71.88 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.594

(partial model without unconserved sides chains): PDB file : Tito_3BQZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BQZ-query.scw PDB file : Tito_Scwrl_3BQZ.pdb: