Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKSKPIIIGVTGGSGSGKTSVSRAIFNNFPDHSIMMLEQDSYYKDQSHLSFEERLNTNYDHPFAFDNDLLIQHVGDLLNYKAIEKPVYDYVAHTRSQATIIQEPKEVIILEGILILEDERLRDLMDIKVYVDTDDDIRIIRRIKRDMEERGRTLDSVIEQYLTVVKPMYHQFIEPTKRYADIIVPEGGENHVAIDLITTKVASFLNHK 3W8R Chain:A ((5-196)) ----KPFVIGIAGGTASGKTTLAQALARTL-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 A - contact count / total energy / energy per contact / energy per residue : 939 -87450 -93.13 -455.47 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -93.13 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.402

(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: