Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIEFINVSKSYGKKQALKDLSLSIRQGEIFGFLGHNGAGKSTTIKSLVSIIEPSSGTILVDGMKLTENRLSIKQKIG--YVPDSPDIFLQLTAGEYWDLISAAYELDTQKKEKRLAE------LTALFD--MYSHQNETIA-SFSHGMRQKTILIGTLLPDPDIWVLDEPLQGLDPQAAFDLKEMMKAHAAKGKTVIFSTHVLDTAQQLCDKLAILKKGELIYQGAVSELLNGSPDETLEKIYLKMAGRQATGDGPYV 4WBS Chain:A ((44-276)) -----NLKKRYGSRTVVKDVSLDVKSGEVVGLLGPNGAGKTTSFYMIVGLVPLDAGEIDLDGKSISLLPIHKRASLGLSYLPQEASVFRKLSVEEN---IRAVLELQVGDDGKRLSKDAIASRTEALLDELQISHLRENPALSLSGGERRRVEIARALATNPSFILLDEPFAGVDPIAVLEIQKIVKFLKQRNIGVLITDHNVRETLGICDHAYIISDGSVLAAGAPGDIIE---NESVRRVYL--------------

General information: TITO was launched using: RESULT: Template: 4WBS.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 : 1074 -9438 -8.79 -42.51 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -8.79 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.496

(partial model without unconserved sides chains): PDB file : Tito_4WBS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WBS-query.scw PDB file : Tito_Scwrl_4WBS.pdb: