Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLTIRDIAEMAGVSVTTVSQILNNKGSRFSDKTRKKVLSIVNEHHYKPDYFASNVINRHSKTIGMIVPDVTDFFFSKLIEGVESYLNPLGYVIMLCNSRHSQENEIKYLQELSHRSVDGILLATPNILPEKYALDSGFYQKMPI-ILIDRGLNRRDNGRLIVKEYEGA-YQAVSLFIENGHTKIGMLKETTGY-YQLEERFNGYRHALKDHGLPFNGKFVEHGELTVQGGYTASKKLLK-HKDITAIFCGNDAMAIGCYQAIDELGKKIPEDISVIGFDGLKLSEYMIPQLTTVQQPSFDIGFYAARFLIDTIEFPQRKVPNKVFETKLIIRESVKVLTKG 3OQO Chain:C ((1-305)) MNITIYDVAREANVSMATVSRVVNG-NPNVKPTTRKKVLEAIERLGYRPNAVARGLASKKTTTVGVIIPDISSIFYSELARGIEDIATMYKYNIILSNSDQNMEKELHLLNTMLGKQVDGIVFMGGNITDEHVA----EFKRSPVPIVLAASVEEQEETPSVAIDYEQAIYDAVKLLVDKGHTDIAFVSGPMAEPINRSKKLQGYKRALEEANLPFNEQFVAEGDYTYDSGLEALQHLMSLDKKPTAILSATDEMALGIIHAAQDQGLSIPEDLDIIGFDNTRLSLMVRPQLSTVVQPTYDIGAVAMRLL--------------------------------

General information: TITO was launched using: RESULT: Template: 3OQO.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1518 -54646 -36.00 -181.55 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain C : 0.81 3D Compatibility (PKB) : -36.00 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.571

(partial model without unconserved sides chains): PDB file : Tito_3OQO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OQO-query.scw PDB file : Tito_Scwrl_3OQO.pdb: