Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MFLQPLLAKKIIAEVKKMYEREVIIVNTDGLIMAGTNDERVGQFHEGALICAKERRSVIITKEDETRLKGVKAGINLPVFF-DHDVIAVFGLTGEPAEIQPFGELLRKMTELFIKESRHLEQSQWRERMLESFMIDWLQLKEWSPSFLEKAQLLGVDLSSRRQMILIQGYEWSPHDIEQMARSWKSSYPADLFIRWGNERILINHEVPQHEQRDRLLRKILHICSFANTASSQYTAAGAGRAVASSSLTDSYEQAEKALAVSLKRKTPIFEEDLKLDMCLTEISPGTRNEF--PQRVLGKALEHQELMNTIRTFFHHDLSLKQTAEDMHIHINTLRYRLAKAEQLTGLRFDRTEDVVTMYVALYFLDQDTK-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 2IPC Chain:A ((1-939)) MLGLLRRLFDNNEREIARYYKQVVEPVNRLEAEVEKLPDLAAAYRELKEKHEKGASLDELLPMAFALTRESAKRYLGMRHFDVQLIGGAVLHEGKIAEMKTGEGKTLVATLAVALNALTGKGVHVVTVNDYLARRDAEWMGPVYRGLGLSVGVIQHASTPAERRKAYLADVTYVTNSELGFDYLRDNMAISPDQLVLRHDHPLHYAIIDEVDSILIDEARTPLIISGPAEKATDLYYKMAEIAKKLERGLPAEPGVRKEPTGDYTVEEKNRSVHLTLQGIAKAEKLLGIEGLFSPENMELAHMLIQAIRAKELYHRDRDYIVQDGQVIIVDEFTGRLMPGRRYGEGLHQAIEAKEGVRIERENQTLATITYQNFFRLYEKRAGMTGTAKTEEKEFQEIYGMDVVVVPTNRPVIRKDFPDVVYRTEKGKFYAVVEEIAEKYERGQ-------------PVLVGTISIEKSERLSQMLKEPRLYLPRLEMRLELFKKASQKQQGPEW-ERLRKLLE--------------RPAQLKDEDLAPFEGLIP------PKGNLRTAWEGLKRAVHTLAVLRQGIPHQVLN---AKHHAREA---EIVAQAGRSKTVTIATNMAGRGTDIKLGG-------NPEYLAAALLEKEGFDRYEWKVELFIKKMVAGKEEEARALAQELGIREELLERIREIREECKQDEERVRALGGLFI-IGTERHESRRIDNQLRGRAGRQGDPGGSRFYVSFDDDLMRLFASDRVIAMLDRMGFDDSEPIEHPMVTRSIERAQKRVEDRNFAIRKQLLQFDDVLSRQREVIYAQRRLILLGKDEEVKEAAIGMVEETVASLAENFLNPEVHPEDWDLEGLKATLLDTAPQLQDFPFAELRALKAEEAVERLVEAALKAYEAREAELSPPLMRAVERFVILNVVDNAWKEHLHNLDVLRQGIFLRGYGQKDPFQEYKIEATRLFNEMVAFIKSEVAKFLFRLKVE

General information: TITO was launched using: RESULT: Template: 2IPC.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 : 1319 70756 53.64 221.11 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : 53.64 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.182

(partial model without unconserved sides chains): PDB file : Tito_2IPC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IPC-query.scw PDB file : Tito_Scwrl_2IPC.pdb: