Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence METQDYAFQPGLTVGELLKSSQKDWQAAINHRFVKELFAGTIENKVLKDYLIQDYHFFDAFLSMLGACVAHADKLESKLRFAKQLGFLEADEDGYFQKAFKELKVAENDYLEVTLHPVTKAFQDLMYSAVASSDYAHLLVMLVIAEGLYLDWGSKDLALPEVYIHSEWINLHRGPFFAEWVQFLVDELNRVGK--------NREDLTELQQRWNQAVALELAFFDIGYDV 3MVU Chain:A ((4-225)) -------EPYGKAFSLMRAEAEPAWRAYTHHAFVEGLKAGTLPREAFLHYLQQDYVFLIHFSRAWALAVVKSETHSEMLAAVGTVNALVAEEMQLHIGICEASGISQEALFATRERAENLAYTRFVLEAGYSGDLLDLLAALAPCVMGYGEIGKRLTAEATSTLYGDWIDTYGGDDYQAACKAVGTLLDDALERRLGAEFTSSPRWSRLCQTFHTATELEVGFWQMGLT-

General information: TITO was launched using: RESULT: Template: 3MVU.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 : 925 -109538 -118.42 -511.86 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -118.42 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.520

(partial model without unconserved sides chains): PDB file : Tito_3MVU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MVU-query.scw PDB file : Tito_Scwrl_3MVU.pdb: