Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALIVQKYGGTSMGTPERILNVARRVKRWHDHGHKVVVVVSAMSGETNRLLALAKAITETPDPREIDQMVSTGEQVTISMLAMALNSIGVEAKSYTGRQVGIKTDSAFTKARIESIDTDVMTNDLDAGRVIVVAGFQGFDANGNTTTLGRGGSDTSGVAIAAALKADECQIYTDVDGVYTTDPRVAPKAKKIDRISFEEMLEMASLGSKVLQIRSVEFAGKYQVPLRVLSSFDNDDDGAFDDEFKENVGTLITTEAED-TMEQPIIAGIAFNRDEAKLTILGVPDEPGIASKILSPVSDANIEVDMIVQNVE--EDGTTDFTFTVNRVDLAKAEKILNETAKNIGAREVSTRDDIVKVSIVGVGMRSHAGVASKMFTALADEGINILMISTSEIKVSVIIDEKYLELAVRCLHTAFGLDREHGESSARA 3AB2 Chain:O ((2-410)) -ALVVQKYGGSSLESAERIRNVAERIVATKKAGNDVVVVCSAMGDTTDELLELAAAVNPVPPAREMDMLLTAGERISNALVAMAIESLGAEAQSFTGSQAGVLT------------TPGRVREALDEGKICIVAGFQ-----------GRGGSDTTAVALAAALNADVCEIYSDVDGVYTADPRIVPNAQKLEKLSFEEMLELAAVGSKILVLRSVEYARAFNVPLRVRSSYSNDP------------GTLIAGSMEDIPVEEAVLTGVATDKSEAKVTVLGISDKPGEAAKVFRALADAEINIDMVLQNVSSVEDGTTDITFTCPRSDGRRAMEILKKLQVQGNWTNVLYDDQVGKVSLVGAGMKSHPGVTAEFMEALRDVNVNIELISTSEIRISVLIREDDLDAAARALHEQFQLGGE--------

General information: TITO was launched using: RESULT: Template: 3AB2.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain O - contact count / total energy / energy per contact / energy per residue : 2108 -140117 -66.47 -366.80 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain O : 0.85 3D Compatibility (PKB) : -66.47 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.550

(partial model without unconserved sides chains): PDB file : Tito_3AB2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AB2-query.scw PDB file : Tito_Scwrl_3AB2.pdb: