Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNNTYFELSDDFENIIKNTLNDKQIISIKQNPTGWTNIVYEVETNEGNFFFRFPRDEFWSRTIVKDYEFAKYIYG------KTNFDTVKLELFYDNDR-PFSVHKKISGIPLA-EVMNDLSSDEVKTISDEIAKFMYQLHCLDFKESKIFSINNIGLNLTDFLDELLNVHVDKND---------MNFWIPTAIHSDDICLVHGDLNSSNVLLDENRHVAAIIDFGFGGFGNKYNDIGRIIGRCPTSFKNEIINSYEQYSNSKLDSKLLDTNINTWTDIDNSYINYMRTIGIYK 6CGD Chain:A ((18-231)) --------------LIEHYFDNFKVDSIEIIGSGYDSVAYLV-NNEYIFKTKFSTNK------KKGYAKEKAIYNFLNTNLETNVKIPNIEYSYISDELSILGYKEIKGTFLTPEIYSTMSEEEQNLLKRDIASFLRQMHGLDYTDISECTIDNKQNVLEEYILLRETIYNDLTDIEKDYIESFMERLNATTVFEGKKCLCHNDFSCNHLLLDGNNRLTGIIDFGDSGIIDEYCD----------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 6CGD.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 : 601 -24358 -40.53 -123.64 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -40.53 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.268

(partial model without unconserved sides chains): PDB file : Tito_6CGD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-6cgd-query.scw PDB file : Tito_Scwrl_6CGD.pdb: