Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MANIKDIAEKAGVSVTTVSRVINNHPYVSEDKRKRVFEAMESLEYTRNIHAVHLSKGFSNMIGVVLPTVNLPYFAELIAGIADAAAESGVHLSLFQTNYEVQKEIFALSQLKQRQVDGLIFCSKALADEKLMEWEG---PILLCQN-SDNARFPTISIPHQEAFRNGLDYLIAKGHKKIA-ICLARKKGMNSHFRIKAYKEALEEIGEAFREDWVIEKAITINDGKALFHKWNTWKEKPTAIFVANDQVSAGLFLEAKNQRVSVPDELAILSVDNHEISQAL--GITTIDIQTREMGKQAFAILEKRIQGQPIERKVLDYRLIERSTV 3OQO Chain:A ((5-320)) ---IYDVAREANVSMATVSRVVNGNPNVKPTTRKKVLEAIERLGYRPNAVARGLASKKTTTVGVIIPDISSIFYSELARGIEDIATMYKYNIILSNSDQNMEKELHLLNTMLGKQVDGIVFMGGNITDEHVAEFKRSPVPIVLAASVEEQEETPSVAIDYEQAIYDAVKLLVDKGHTDIAFVSGPMAEPINRSKKLQGYKRALEEANLPFNEQFVAEGDYTYDSGLEALQHLMSLDKKPTAILSATDEMALGIIHAAQDQGLSIPEDLDIIGFDNTRLSLMVRPQLSTVVQPTYDIGAVAMRLLTKLMNKEPVEEHIVE---------

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 : 1546 -186320 -120.52 -602.98 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -120.52 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.568

(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: