Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MISIIWFLFFFIFFSYLKVIKIDSFLVYHTSAMKNLTQNLLKKDNSSILKIELKKENNKSMKISKKAFLLVVLILLSTLYSVNFMRNAQEIYTTGDLSFHLSRIKGLSSIFE--GPINYTTFNNYGDGLNYFYPFLTIIPAVVFYGISN-----NLILSYVLYIWLLNICTILISFWERQ 3WAK Chain:A ((43-127)) -------------------------------------------------------------------------------------------LGGNDPWYYYRLIENTIHNFPHRIWFDPFTYYPYGSYT--HFGPFLVYLGSIAGIIFSATSGESLRAVLAFIPAIGGVLAILPVYLL--

General information: TITO was launched using: RESULT: Template: 3WAK.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 : 226 -52674 -233.07 -675.31 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -233.07 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.265

(partial model without unconserved sides chains): PDB file : Tito_3WAK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WAK-query.scw PDB file : Tito_Scwrl_3WAK.pdb: