Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNLRIALISKDWIWKVRKRNKEMTKRIPNLQVALDHSDLQGAIKAAVSVGQEVDIIEAGTVCLLQVGSELAEVLRSLFPDKIIVADTKCADAGGTVAKNNAVRGADWMTCICCATIPTMEAALKAIKTERGERGEIQIELYGDWTFEQAQLWLDAGISQAIYHQSRDALLAGETWGEKDLNKVKKLIDMGFRVSVTGGLDVDTLKLFEGVDVFTFIAGRGITEAADPAGAARAFKDEIKRIWG 1SO3 Chain:B ((3-216)) ---------------------------LPMLQVALDNQTMDSAYETTRLIAEEVDIIEVGTILCVGEGVRAVRDLKALYPHKIVLADAKIADAGKILSRMCFEANADWVTVICCADINTAKGALDVAKEFNGD---VQIELTGYWTWEQAQQWRDAGIGQVVYARSRDAQAAGVAWGEADITAIKRLSDMGFKVTVTGGLALEDLPLFKGIPIHVFIAGRSIRDAASPVEAARQFKRSIAELWG

General information: TITO was launched using: RESULT: Template: 1SO3.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 : 1164 -161529 -138.77 -754.81 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : -138.77 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.612

(partial model without unconserved sides chains): PDB file : Tito_1SO3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SO3-query.scw PDB file : Tito_Scwrl_1SO3.pdb: