Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------QVPEATQMYAPGYDLNKAPC----RIVIYKPTNPIGGTGEEYFMGNVAPGGVARFDGYICKASKDCLRP-TCFNMPFGFRYFGRHM---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 4HNE Chain:A ((2-384)) PLGSPEFAAQAQALAAQAAAAAHAAQAHRERNEFPEDPEFEAVVRQAELAIERCIFPERIYQGSSGSYFVKDPQGRIIAVFKPKNE-----EPY--GHLNP----KWTKWLQKFGRDCLVLNQGYLSEAGASLVDQKLELNIVPRTKVVYLASETFNYSAIDRVKSRGKRLALRFNRIGLPPKVGSFQLFVEGYKDADYWLRRFEAEPLPENTNRQLLLQFERLVVLDYIIRNTDRGNDNWLIKYDCPPVIKVAAIDNGLAFPLKHPDSWRAYPFYWAWLPQAKVPFSQEIKDLILPKISDPNFVKDLEEDLYELFKKDPGFDRGQFHKQIAVMRGQILNLTQALKDNKSPLHLVQMPPVIVET

General information: TITO was launched using: RESULT: Template: 4HNE.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 : 65 -888 -13.65 -12.68 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -13.65 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.55 QMean score : -0.018

(partial model without unconserved sides chains): PDB file : Tito_4HNE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4hne-query.scw PDB file : Tito_Scwrl_4HNE.pdb: