Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKKTTGHTTIKDVAECAGVSKSTVSRYINGKIDAISPEKVKNIKKAIAELNYRPSKMAQGLKIKKSKLIGFVVADITNPFSVAAFRGVEEVCDQYGYSIMVCNTDNSPEKEREMLLKLEAHSVEGLILNATGENKDVLRAFAEQQIPTILIDRKLPDLKLDTVTTDNRWITKEILQKVYSKGYTDVALFTEPISSISPRAERAAVYQEMASVQNVNGLVRLHEIDVKDKEQLKAE--------LRSFHKEMPEQKK--AILALNGLIMLKIISCMEELGLRIPQDIGIAGFDDTEWYKLIGPGITTIAQPSHDMGRTAMERVLKRIEGDKGAPQTIELEAKVIMRKSL 3OQM Chain:A ((4-330)) ---------TIYDVAREANVSMATVSRVVNGNPN-VKPTTRKKVLEAIERLGYRPNAVARGLASKKTTTVGVIIPDISSIFYSELARGIEDIATMYKYNIILSNSDQNMEKELHLLNTMLGKQVDGIVFMGGNITDEHVAEFKRSPVPIVLAASVEEQEETPSVAIDYEQAIYDAVKLLVDKGHTDIAFVSGPMAEPINRSKKLQGYKRA-----------LEEANLPFNEQFVAEGDYTYDSGLEALQHLMSLDKKPTAILSATDEMALGIIHAAQDQGLSIPEDLDIIGFDNTRLSLMVRPQLSTVVQPTYDIGAVAMRLLTKLMNKEPVEEHIVELPHRIELRKS-

General information: TITO was launched using: RESULT: Template: 3OQM.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 : 1650 -103884 -62.96 -327.71 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -62.96 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.594

(partial model without unconserved sides chains): PDB file : Tito_3OQM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OQM-query.scw PDB file : Tito_Scwrl_3OQM.pdb: