Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNNTYFELSDDFENIIKNTLNDKQIISIKQNPTGWTNIVYEVETNEGNFFFRFPRDEFWSRTIVKDYEFAKYIYG------KTNFDTVKLELFYDNDR-PFSVHKKISGIPLA-EVMNDLSSDEVKTISDEIAKFMYQLHCLDFKESKIFSINNIGLNLTDFLDELLNVHVDKND---------MNFWIPTAIHSDDICLVHGDLNSSNVLLDENRHVAAIIDFGFGGFGNKYNDIGRIIGRCPTSFKNEIINSYEQYSNSKLDSKLLDTNINTWTDIDNSYINYMRTIGIYK 5IQE Chain:A ((18-231)) --------------LIEHYFDNFKVDSIEIIGSGYDSVAYLV-NNEYIFKTKFSTN--------KGYAKEKAIYNFLNTNLETNVKIPNIEYSYISDELSILGYKEIKGTFLTPEIYSTMSEEEQNLLKRDIASFLRQMHGLDYTDISECTIDNKQNVLEEYILLRETIYNDLTDIEKDYIESFMERLNATTVFEGKKCLCHNDFSCNHLLLDGNNRLTGIIDFGDSGIIDEYCD----------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5IQE.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 : 598 -20598 -34.44 -105.63 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -34.44 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.300

(partial model without unconserved sides chains): PDB file : Tito_5IQE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5iqe-query.scw PDB file : Tito_Scwrl_5IQE.pdb: