Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLSASLQAIDIDDSIQLEQDGSILYLWLNRPESRNAMNLNMVNAIQQVFTAIRDDLSIRAVIIRGEGGTFCAGGDIKDMAALRVEATNVGSLQPYTDFNRRFGAMLEQVEAAPQTVVVILEGAVLGGGFGLACVSDVAISRDNAQFGLPETGLGVIPAQIAPFVVKRIGLTQARRLALLGMRFEGHTALSVGVVHQIAHNEIELEQALHETIQHIKRAAPQASRVTKALLHRTLNEPLNELLDDAAQQFAQAVGGAEGQEGTMAFIQKRLPNWADES 4ZU2 Chain:B ((7-264)) -------------ETLLLEPIEGVLRITLNRPQSRNAMSLAMVGELRAVLAAVRDDRSVRALVLRGADGHFCAGGDIKDMAGARAAG-----AEAYRTLNRAFGSLLEEAQAAPQLLVALVEGAVLGGGFGLACVSDVAIAAADAQFGLPETSLGILPAQIAPFVVRRIGLTQARRLALTAARFDGREALRLGLVHFCEADADALEQRLEETLEQLRRCAPNANAATKALLLASESGELGALLDDAARQFAEAVGGAEGSEGTLAFVQKRKPVWAQ--

General information: TITO was launched using: RESULT: Template: 4ZU2.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 : 1215 -148408 -122.15 -575.22 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.85 3D Compatibility (PKB) : -122.15 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.442

(partial model without unconserved sides chains): PDB file : Tito_4ZU2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZU2-query.scw PDB file : Tito_Scwrl_4ZU2.pdb: