Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------------------------------MKNKRIFKDFQASKMSLNIYTSPLLAFVFVFIGEFVAFTLY--------GIGLLALIGLARNFGEAGQNLATYLQTLHQ---------SLTDKTSDFR-------------LILGLLAFGFILNTVFRWTRKVEKRPIRTLGFYRENFLSNLLKGFSLGLALFLLTLLGLVVLGQYRLESIHLNPYSLAFVVFTIPFWILQGTAEEVVARAWLLPQLASRTNLKLAILISSLFFTLLHMGNSGLTPLSLVNLFLFGVAMALYLLKTDTVWGVAGIHGAWNFAQGNLFGILVSGQPSGTSLMT----FLPQGNQDWLSGGSFGIE-----GSIMTSLVLLLLIVYLANKLKKENERM------- 5DOQ Chain:A ((1-432)) MNGYDPVLLSRILTELTLTVHIIYATIGVGVPLMIAIAQWVGIRKNDMHYILLARRWTRGFVITVAVGVVTGTAIGLQLSLLWPNFMQLAGQVISLPLFMETFAFFFEAIFLGIYLYTWDRFENQKKHLLLLIPVAIGSSASAMFITMVNAFMNTPQGFELKNGELVNIDPIVAMFNPAMPTKVAHVLATSYMTSAFVLASIAAWHLWKGNR----HIYHRKALHLTMKTAFIFSVASALVGDLSGKFLAEYQPEKLAAAEWH--FETSSHAPLILFGTLEEDNEVKYALEIPYALSILA-HNHPAAVVTGLNDIPEDERPPLYIHYLFDVMVTIGVFLMVVAAVYWLGSIFRWKWTAKNWFFGLLVAGGPLAMIAIEAGWYLAEVGRQPWILRGYMKTAEGATTSAHVDTMLVLFCLLYIVLVIASATVLIRMFRRNP

General information: TITO was launched using: RESULT: Template: 5DOQ.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 : 1265 -136657 -108.03 -440.83 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -108.03 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.154

(partial model without unconserved sides chains): PDB file : Tito_5DOQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5DOQ-query.scw PDB file : Tito_Scwrl_5DOQ.pdb: