Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQIAQPITIRNTTFKNRIIKGAMSEALANYEGQPNELHLGLYSAWAKGGLGCAITGNVMVNVEAKNEPGVVVIETERDLERLKEWAAVGKQYGMVQLIQLSHPGRQCPKGLN--------KETVAPSAVPFSPALATMFGNPRALTHEEILDIIKRFANAARICERAGFEGVQLHGAHGYLISQFLSPLTNKRTDQWGGSIENRTRFLLEVYKAVREATSDNFIISVKLNSADFQRGGISEEDVISVFKAVDEAGIDLIEISGGTYEAPAMAGAKADKRKASTIAREAYFLDFAEKIRQHVKCKLMVTGGFRTVEGMNAALASGACDFIGIARPLAVETDLTDRLIAGQDVRYAVKPIKTGLPFVDKMAIMEIIWYAAQFKAIGQGKKPNPKLSPLIVFLNYAKGNIKAVVQGRVNSRKSA 3HGJ Chain:A ((2-337)) -ALLFTPLELGGLRLKNRLAMSPMCQYSATLEGEVTDWHLLHYPTRALGGVGLILVEATAVEPLGRISPYDLGIWSEDHLPGLKELARRIREAGAVPGIQLAHAGRKAGTARPWEGGKPLGWRVVGPSPIPFDE----GYPVPEPLDEAGMERILQAFVEGARRALRAGFQVIELHMAHGYLLSSFLSPLSNQRTDAYGGSLENRMRFPLQVAQAVREVVPRELPLFVRVSATDWGEGGWSLEDTLAFARRLKELGVDLLDCSSGGVVLRVRIP-----------LAPGFQVPFADAVRKRVGLRTGAVGLITTPEQAETLLQAGSADLVLLGRVLLRDPYFPLRAAKALGV----------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3HGJ.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 : 2060 -61021 -29.62 -186.04 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -29.62 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.562

(partial model without unconserved sides chains): PDB file : Tito_3HGJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HGJ-query.scw PDB file : Tito_Scwrl_3HGJ.pdb: