Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTPAIRRTVTFPEISMERLKSILGAYNGHLKQIEQRLDVKITHRGDVFYIDGEIDAVGRAEALLQRLYEETEASQQISADLLHLLIQSSQTERNFELVGEEMDEHDAPMDVYFQTRKGRINPRGANQKRYVQRILQS---DISFGVGPAGTGKTYLAVAAAVDMLERNEIQRILLVRPAVEAGEKLGFLPGDLTQKIDPYLRPLYDALYEMLGFEKVAKLIERQ-VIEVAPLAYMRGRTLNHSFVILDEAQNTTPEQMKMFLTRLGFGSRAVITGDITQVDLPRGQQSGLAHALRVLENIKEIHITRFHSRDVVRHQLVQKIVEAYEAWDGEQQRLNAEARAERKARQEALIAENDTAADLQHQDA 5WWP Chain:A ((256-407)) ----------------------------------------------------------------------------------------------------------------------PTITVPEEFASHVANFQKSGYSKYVTVQGPPGTGKSHFAIGLAIYY----PTARVVYTACSHAAVDALCEKAF---KYLN--IAKCSRIIPAKARVECYDRFKVNETNSQYLFSTINALPETSADILVVDEVSMCTNYDLSIINARI-KAKHIVYVGDPAQL--------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5WWP.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 : 750 -20205 -26.94 -136.52 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -26.94 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.402

(partial model without unconserved sides chains): PDB file : Tito_5WWP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5WWP-query.scw PDB file : Tito_Scwrl_5WWP.pdb: