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

General information: TITO was launched using: RESULT: Template: 5IQB.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 : 599 -25125 -41.94 -129.51 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -41.94 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.268

(partial model without unconserved sides chains): PDB file : Tito_5IQB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5iqb-query.scw PDB file : Tito_Scwrl_5IQB.pdb: