Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------------------------------------------------------------------------------------MCRQITSFYSNDITNKTKVELDMSDTVIRDFFVS-LGFSTDNEGARKMVDTLKGVE-----------LKAALLHKTLLLLATGAVVAVTKT--ASELDKLYYSSQRIGASASNIRAYGDAISQMGGNAQNALQSLENVAQKMRNSPGYEGMLTGMGVATRDGNGQLRDRVEVMKDLSKTMKGMDYYQANAYASSLGIDENTLMAMRDDKFIDNMEKYQKLRQSVGLTDELTKSGT----DFMVEF-RDITMTTKAITEVVVMTAGQVLIPVLKVINNFLRSAIAWFAELDPRFKAILATGLKFALLAIIFGG--FIGT--IAKLASVLPMLKSLLFLIKSLRLAFLASPIGIVLALAAAIAALWDDYQTWKN-GGESLIDWSKW---ENGIETAISRIKQLAELIKSLKD--------KTVEFVTKAIDDPAGTAKETVAAVTEAAKTGTAAVVSATKSTVSTIKNNIASSTGFSQKYKS--KNFTSDKAKTIEAVAKRIGVDPNDLAAVISFETSGTFSPSAKNP----------KSSATGLIQFMAGSGGTKGKYYGMSRKKFASLSFDEQMVY------VEKYFKERGFKSSK-------KRDVADLYTAVTGYGYKKGSEAYELNKVWDSNKDGYIAKGEMVQ---------------NTSFKKHQRNYFTPNITSAP-KVNISNTKNLANVGNPHKEQVNKSNASSANITIYQSHNTEMTINGADNPKETAQVVQRHNENTMIQMARNVKPLIG----------------------------------------------------- 2IPC Chain:A ((1-939)) MLGLLRRLFDNNEREIARYYKQVVEPVNRLEAEVEKLPDLAAAYRELKEKHEKGASLDELLPMAFALTRESAKRYLGMRHFDVQLIGGAVLHEGKIAEMKTGEGKTLVATLAVALNALTGKGVHVVTVNDYLARRDAEWMGPVYRGLGLSVGVIQHASTPAERRKAYLADVTYVTNSELGFDYLRDNMAISPDQLVLRHDHPLHYAIIDEVDSILIDEARTPLIISGPAEKATDLYYKMAEIAKKLERGLPAEPGVRKEPTGDYTVEEKNRSVHLTLQGIAKAEKLLGIEGLFSPENMELAHMLIQAIRAKELYHRDRDYIVQDGQVIIVDEFTGRLMPGR--RYGEGLHQAIEAKEGVRIERENQTLATITYQNFFRLYEKRAGMTGTAKTEEKEFQEIYGM-DVVVVPTNRPVIRKDFPDVVYRTEKGKFYAVVEEIAEKYERGQPVLVGTISIEKSERLSQMLKEPRLYLPRLEMRLELFKKASQKQQGPEWERLRKLLERPAQLKDEDLAPFEGLIPPKGNLRTAWEGLKRAVHTLAVLRQGIPHQVLNAKHHAREAEIVAQAGRSK-TVTIATNMAGRGTDIKLGGNPEYLAAALLEKEGFDRYEWKVELFIKKMVAGKEEEARALAQELGIREELLERIREIREECKQDEERVRALGGLFIIGTERHESRRIDNQLRGRAGRQGDP-GGSR---FYVSFDDDLMRLFASDRVIAMLDRMGFDDSEPIEHPMVTRSIERAQKRVEDRNFAIRKQLLQFDDVLSRQREVIYAQRRLILLGKDEEVKEAAIGMVEETVASLAENFLNPEVHPEDWDLEGLKATLLDTAPQLQDFPFAELRALKAEEAVERLVEAALKAYEAREAELSPPLMRAVERFVILNVVDNAWKEHLHNLDVLRQGIFLRGYGQKDPFQEYKIEATRLFNEMVAFIKSEVAKFLFRLKVE

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 : 3183 160135 50.31 237.24 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 50.31 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.112

(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: