Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGKNPVVIGIAGGSGSGKTSVTRSIYEQFKGHSILMIQQDLYYKDQSHLPFEERLNTNYDHPLAFDNDYLIEHIQDLLNYRPIEKPIYDYKLHTRSEETVHVEPKDVIILEGILVLEDKRLRDLMDIKLYVDTDADLRIIRRIMRDINERGRSIDSVIEQYVSVVRPMHNQFVEPTKRYADIIIPEGGQNHVAIDLMVTKIQTILEQNAIL 3W8R Chain:B ((4-196)) --PKPFVIGIAGGTASGKTTLAQALARTL-GERVALLPMDHYYKDLGHLPLEERLRVNYDHPDAFDLALYLEHAQALLRGLPVEMPVYDFRAHTRSPRRTPVRPAPVVILEGILVLYPKELRDLMDLKVFVDADADERFIRRLKRDVLERGRSLEGVVAQYLEQVKPMHLHFVEPTKRYADVIVPRGGQNPVALEM---------------

General information: TITO was launched using: RESULT: Template: 3W8R.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 : 941 -99171 -105.39 -513.84 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : -105.39 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.489

(partial model without unconserved sides chains): PDB file : Tito_3W8R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3W8R-query.scw PDB file : Tito_Scwrl_3W8R.pdb: