Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNLRIALISKDWIWKVRKRNKEMTKRIPNLQVALDHSDLQGAIKAAVSVGQEVDIIEAGTVCLLQVGSELAEVLRSLFPDKIIVADTKCADAGGTVAKNNAVRGADWMTCICCATIPTMEAALKAIKTERGERGEIQIELYGDWTFEQAQLWLDAGISQAIYHQSRDALLAGETWGEKDLNKVKKLIDMGFRVSVTGGLDVDTLKLFEGVDVFTFIAGRGITEAADPAGAARAFKDEIKRIWG 1SO4 Chain:B ((3-216)) ---------------------------LPMLQVALDNQTMDSAYETTRLIAEEVDIIEVGTILCVGEGVRAVRDLKALYPHKIVLADAAIADAGKILSRMCFEANADWVTVICCADINTAKGALDVAKEFNGD---VQIELTGYWTWEQAQQWRDAGIGQVVYHRSRDAQAAGVAWGEADITAIKRLSDMGFKVTVTGGLALEDLPLFKGIPIHVFIAGRSIRDAASPVEAARQFKRSIAELWG

General information: TITO was launched using: RESULT: Template: 1SO4.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1166 -161041 -138.11 -752.53 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : -138.11 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.600

(partial model without unconserved sides chains): PDB file : Tito_1SO4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SO4-query.scw PDB file : Tito_Scwrl_1SO4.pdb: