Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGKNPVVIGIAGGSGSGKTSVTRSIYEQFKGHSILMIQQDLYYKDQSHLPFEERLNTNYDHPLAFDNDYLIEHIQDLLNYRPIEKPIYDYKLHTRSEETVHVEPKDVIILEGILVLEDKRLRDLMDIKLYVDTDADLRIIRRIMRDINERGRSIDSVIEQYVSVVRPMHNQFVEPTKRYADIIIPEGGQNHVAIDLMVTKIQTILEQNAIL 3ASZ Chain:A ((5-196)) ---KPFVIGIAGGTASGKTTLAQALARTL-GERVALLPMDHYYKDLGHLPLEERLRVNYDHPDAFDLALYLEHAQALLRGLPVEMPVYDFRAYTRSPRRTPVRPAPVVILEGILVLYPKELRDLMDLKVFVDADADERFIRRLKRDVLERGRSLEGVVAQYLEQVKPMHLHFVEPTKRYADVIVPRGGQNPVALEM---------------

General information: TITO was launched using: RESULT: Template: 3ASZ.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 : 936 -100140 -106.99 -521.56 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -106.99 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.470

(partial model without unconserved sides chains): PDB file : Tito_3ASZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ASZ-query.scw PDB file : Tito_Scwrl_3ASZ.pdb: