Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVPKKQVKEGTKMSRPNLQIALDHNDLEHALGDVMKVGDVVDIIEVGTILCLQEGQKAIRCIRSMFPDKKLVADTKCADAGGTVASNVAKAGADWMTVICCATIPTMEAAQKEI-------GELQVELYGNWTFEQAMDWHNIGIRQVIYHQSRDALLSGETWGEKDLSKIKKLIELGFNVSVTGGLNPHTLHLFEGIDVYTFITGRGITAANDPMKAAQNFKDEIIRIWG 3EXS Chain:C ((6-221)) ---------------PNLQVALDHSNLKGAITAAVSVGNEVDVIEAGTVCLLQVGSELVEVLRSLFPDKIIVADTKCADAGGTVAKNNAVRGADWMTCICSATIPTMKAARKAIEDINPDKGEIQVELYGDWTYDQAQQWLDAGISQAIYHQSR---------GEKDLNKVKKLIEMGFRVSVTGGLSVDTLKLFEGVDVFTFIAGRGITEAKNPAGAARAFKDEIKRIWG

General information: TITO was launched using: RESULT: Template: 3EXS.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1086 -48144 -44.33 -240.72 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain C : 0.86 3D Compatibility (PKB) : -44.33 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.524

(partial model without unconserved sides chains): PDB file : Tito_3EXS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3EXS-query.scw PDB file : Tito_Scwrl_3EXS.pdb: