Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRESYQAEMFNWCEALKDQIQKRGQLDQFEDQIDKMIEALEDDQTTEEDWYKQAAALYRDITESDDTSERRAYVPIGKHVLPKLPYKYSALEPYISRDIMILHHTKHHQSYVDGLNKAESELKKARATKNYDLITHWERELAFHGAGHYLHSIFWFSMHPNGKRRPTGALFQMIDLSFGSYSAFKEHFTQASKKVEGVGWAILVWAPRSGRLEILTAEKHQ-LFSQWDVIPLLPLDVWEHAYYLQYKNDRASYVDHWWNVVDWREAEKRFEQAKEVVWKLY 2P4K Chain:C ((1-198)) ------------------------------------------------------------------------------KHSLPDLPYDYGALEPHINAQIMQLHHSKHHAANVNNLNVTEEKYQEALAKGDVTAQIALQPALKFNGGGHINHSIFWTNLSPNGGGEPKGELLEAIKRDFGSFDKFKEKLTAASVGVQGSGWGWLGFNKERGHLQIAACPNQDPLQGTTGLIPLLGIDVWEHAYYLQYKNVRPDYLKAIWNVINWENVTERYMACKK------

General information: TITO was launched using: RESULT: Template: 2P4K.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 911 -78763 -86.46 -399.81 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain C : 0.76 3D Compatibility (PKB) : -86.46 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.560

(partial model without unconserved sides chains): PDB file : Tito_2P4K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2P4K-query.scw PDB file : Tito_Scwrl_2P4K.pdb: