Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSWLSSLKSVFSPAQEVKEEEIQTVLQNYLLPDSKDALKERISQLQVQGRVLQLTINTFPDEKEYLQQIHDDLAGALQKCGIEELNLHVVQQKRPTQESSGQGCSSKAPKENSNLPPVLDASPKSEPDPNNPPIQKAALQQRDVPLHPRIKNVILVSSGKGGVGKSTTTVNLALALQKMGLKVGVLDADIYGPSIPTMLG----NAGKTPLIESENFVPLDAYGMAVLSIGHLTGDNNTPVAWRGP-KATGALMQLFNQTLWPDLDVLMIDMPPGTGDIQLTLAQRIPVTG--SIIVTTPQNVALLDATKGIELFNKVGIPVLGVVENMSTHICSNCGHEEQIFGIGGGDKLSEQYHIPLLARLPLNAQIREHADQGKPSVVAMDDA--ADSYIDIAKAVWQQIEKIPQRTRDDKRIF 1ION Chain:A ((3-233)) -------------------------------------------------------------------------------------------------------------------------------------------------------RIISIVSGKGGTGKTTVTANLSVALGEMGRKVLAVDGDLTMANLSLVLGVDDVNITLHDVLAGDAKLEDAIYMTQFENVYILPG----AVDWEHVIKADPRKLPEVIKSLKGKYDFILIDCPAG---LQLR-AMSAMLSGEEAILVTNPEISCLTDTMKVGMVLKKAGLAILGFILN-------RYGRSERDI---PPEAAQDVMDVPLLAVIPEDPVIREGTLEGIPAVKYKPESKGAQAFIKLAEEV------------------

General information: TITO was launched using: RESULT: Template: 1ION.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 : 1315 -3729 -2.84 -16.80 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -2.84 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.513

(partial model without unconserved sides chains): PDB file : Tito_1ION.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1ION-query.scw PDB file : Tito_Scwrl_1ION.pdb: