Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRESYQAEMFNWCEALKDQIQKRGQLDQFEDQIDKMIEALEDDQTTEEDWYKQAAALYRDITESDDTSERRAYVPIGKHVLPKLPYKYSALEPYISRDIMILHHTKHHQSYVDGLNKAESELKKARATKNYDLITHWERELAFHGAGHYLHSIFWFSMHPNGKRRPTGALFQMIDLSFGSYSAFKEHFTQASKKVEGVGWAILVWAPRSGRLEILTAEKHQ-LFSQWDVIPLLPLDVWEHAYYLQYKNDRASYVDHWWNVVDWREAEKRFEQAKEVVWKLY 1LUV Chain:A ((1-198)) ------------------------------------------------------------------------------KHSLPDLPYDYGALEPHINAQIMQLHHSKHHAAYVNNLNVTEEKYQEALAKGDVTAQIALQPALKFNGGGHINHSIFWTNLSPNGGGEPKGELLEAIKRDFGSFDKFKEKLTAASVGVQGSGWGWLGFNKERGHLQIAACPNQDPLQGTTGLIPLLGIDVWEHAYYLQYKNVRPDYLKAIWNVINWENVTERYMACKK------

General information: TITO was launched using: RESULT: Template: 1LUV.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 : 903 -83894 -92.91 -425.86 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -92.91 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.551

(partial model without unconserved sides chains): PDB file : Tito_1LUV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1LUV-query.scw PDB file : Tito_Scwrl_1LUV.pdb: