Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MREEEKKTSQVKKLQQFFRKRWVFPAIYLVSAAVILTAVLWYQSVSNDEVKDQLADNGGNSAYDNNDDAVEVGKSMENVAMPVVDSENVSVVKKFYETDAAKEEKEAALVTYNNTYSLSKGIDLAEKDGKDFDVSASLSGTVVKAEKDPVLGYVVEVEHADGLSTVYQSLSEVSVEQGDKVKQNQVIGKSGKNLYSEDSGNHVHFEIRKDGVAMNPLNFMDKPVSSIEKAATQETEESIQQSSEKKDGSTEKGTEEKSGEKKDDSTDKSGSKESSTTEDTEQS 4BH5 Chain:A ((16-141)) -------------------------------------------------------------------------APRGQAFWPVRG----PTLHRYGEQL--------------QGELRWKGMVIGASEGT--EVKAIADGRVILADWLQGYGLVVVVEHGKGDMSLYGYNQSALVSVGSQVRAGQPIALVGSSGG--QGRPSLYFEIRRQGQAVNPQPWLG--------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4BH5.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 : 668 -52125 -78.03 -413.69 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -78.03 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.400

(partial model without unconserved sides chains): PDB file : Tito_4BH5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BH5-query.scw PDB file : Tito_Scwrl_4BH5.pdb: