Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTPAIRRTVTFPEISMERLKSILGAYNGHLKQIEQRLDVKITHRGDVFYIDGEIDAVGRAEALLQRLYEETEASQQISADLLHLLIQSSQTERNFELVGEEMDEHDAPMDVYFQTRKGRINPRGANQKRYVQRILQS---DISFGVGPAGTGKTYLAVAAAVDMLERNEIQRILLVRPAVEAGEKLGFLPGDLTQKIDPYLRPLYDALYEMLGFEKVAKLIERQ-VIEVAPLAYMRGRTLNHSFVILDEAQNTTPEQMKMFLTRLGFGSRAVITGDITQVDLPRGQQSGLAHALRVLENIKEIHITRFHSRDVVRHQLVQKIVEAYEAWDGEQQRLNAEARAERKARQEALIAENDTAADLQHQDA 5WWP Chain:B ((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 B - contact count / total energy / energy per contact / energy per residue : 731 -23667 -32.38 -159.91 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : -32.38 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.417

(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: