Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIIVQKFGGTSVKDDKGRKLALGHIKEAISEGYKVVVVVSAMGRKGDPYATDSLLGLLYGDQSAISP----REQDLLLSCGETISSVVFTSMLLDNGVKAAALTGAQAGFLTNDQHTNAKIIEMKPERLFSVLANHDAVVVAGFQGATEKGDTTTIGRGGSDTSAAALGAAVDAEYIDIFTDVEGVMTADPRVVENAKPLPVVTYTEICNLAYQGAKVISPRAVEIAMQAKVPIRVRSTYSNDKGTLVTSHHSSKVGSDVFERLITGIAHVKD---VTQFKVPAKIGQYNVQTEVFKAMANAGISVDF----FNITPSEIVYTVAGNKTETAQRILMDMG--------YDPMVTRNCAKVSAVGAGIMGVPGVTSKIVSALSEKEIPILQSADSHTTIWVLVHEADMVPAVNALHEVFELSK 3AB4 Chain:E ((2-407)) -ALVVQKYGGSSLESAERIRNVAERIVATKKAGNDVVVVCSAMGD-----TTDELLEL----AAAVNPVPPAREMDMLLTAGERISNALVAMAIESLGAEAQSFTG-------------------TPGRVREALDEGKICIVAGF-----------LGRGGSDTTAVALAAALNADVCEIYSDVDGVYTADPRIVPNAQKLEKLSFEEMLELAAVGSKILVLRSVEYARAFNVPLRVRSSYSNDPGTLIAGSMED---IPVEEAVLTGVATDKSEAKVTVLGISDKPGE---AAKVFRALADAEINIDMVLQN----TTDITFTCPRSDGRRAMEILKKL-QGNWTNVLYDDQV----GKVSLVGAGMKSHPGVTAEFMEALRDVNVNIELISTSEIRISVLIREDDLDAAARALHEQFQL--

General information: TITO was launched using: RESULT: Template: 3AB4.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 1841 -253733 -137.82 -731.22 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain E : 0.77 3D Compatibility (PKB) : -137.82 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.458

(partial model without unconserved sides chains): PDB file : Tito_3AB4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AB4-query.scw PDB file : Tito_Scwrl_3AB4.pdb: