Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEIKQIMVAGAGQMGSGIAQTAADAGFYVRMYDVNPE---AAEAGLKRLKKQLARD--AEKGKRTETEVKSVINRISISQTLEEAEHA-DIVIEAIAENMAAKTEMFKTLDRICPPHTILASNTSSLPITEIAAVTNRPQRVIGMHFMNPVPVMKLVEVIRGLATSEETALDVMALAEKMGKTAVEVNDFPGFVSNRVLLPMINEAIYCVYEGVAKPEAIDEVMKLGMNHPMGPLALADFIGLDTCLSIMEVLHSGLGDSK-YRPCPLLRKYVKAGWLGKKSGRGFYDYEEKTS 3HAD Chain:A ((15-302)) --VKHVTVIGGGLMGAGIAQVAAATGHTVVLVDQTEDILAKSKKGIEESLRKVAKKKFAENPKAGDEFVEKTLSTIATSTDAASVVHSTDLVVEAIVENLKVKNELFKRLDKRAAEHTIFASNTSSLQITSIANATTRQDRFAGLHFFNPVPVMKLVEVIKTPMTSQKTFESLVDFSKALGKHPVSCKDTPGFIVNRLLVPYLMEAIRLYERGDASKEDIDTAMKLGAGYPMGPFELLDYVGLDTTKFIVDGWHEMDAENPLHQPSPSLNKLVAENKFGKKTGEGFYKYK----

General information: TITO was launched using: RESULT: Template: 3HAD.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 : 1406 -17527 -12.47 -62.37 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -12.47 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.515

(partial model without unconserved sides chains): PDB file : Tito_3HAD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HAD-query.scw PDB file : Tito_Scwrl_3HAD.pdb: