Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MATIKDVAGAAGVSVATVSRNLNDNGYVHEETRTRVIAAMAKLNYYPNEVARSLYKRESRLIGLLLPDITNPFFPQLARGAEDELNREGYRLIFGNSDEELKKELEYLQTFKQNHVAGII-AATNYPD--LEEYSGMNYPVVFLDRT--LEGAPSVSSDGYTGVKLAAQAIIHGKSQRITLLRGPAHLPTAQD-RFNGALEILKQAEVDF--QVIETASFSIKDAQSMAKELFASYPATDGVIASNDIQAAAVLHEALRRGKNVPEDIQIIGYDDIPQSGLLFPPLSTIKQPAYDMGKEAAKLLLGIIKKQPLAETAIQMPVTYIGRKTTRKED 3OQO Chain:A ((4-332)) --TIYDVAREANVSMATVSRVVNGNPNVKPTTRKKVLEAIERLGYRPNAVARGLASKKTTTVGVIIPDISSIFYSELARGIEDIATMYKYNIILSNSDQNMEKELHLLNTMLGKQVDGIVFMGGNITDEHVAEFKRSPVPIVLAASVEEQEETPSVAIDYEQAIYDAVKLLVDKGHTDIAFVSGPMAEPINRSKKLQGYKRALEEANLPFNEQFVAEGDYTYDSGLEALQHLMSLDKKPTAILSATDEMALGIIHAAQDQGLSIPEDLDIIGFDNTRLSLMVRPQLSTVVQPTYDIGAVAMRLLTKLMNKEPVEEHIVELPHRIELRKSTK---

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 A - contact count / total energy / energy per contact / energy per residue : 1664 -32723 -19.66 -101.94 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -19.66 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.493

(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: