Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------------------------------------MEMFDLEFMRRAFLAGGMIAVMAPILGVYLVLRRQALMADTLSHISLSGVAIGFFLSTNITAASIVVVTIGAIGIEYMRRAYRTYSEVSIAILMAAGLSFAMFLISLSKGTANMSIDQYLFGSLVTVNQQQVYIISIITLLILLYFIVLRRPLYLLTFDEATAKTSGINTNVLSLSFSIVTGLAISVIIPIIGVLLVSALLVLPAAFAIRIAKGFNMVFITAILISLFSVFTGLTSSYQLGTPPGPSITLLLIVLLLIGFAVQGVWTFIKKEAQRKKRSR-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 2IPC Chain:A ((1-939)) MLGLLRRLFDNNEREIARYYKQVVEPVNRLEAEVEKLPDLAAAYRELKEKHEKGASLDELLPMAFALTRESAKRYLGMRHFDVQLIGGAVLHEGKIAEMKTGEGKTLV----ATLAVALNALTGKGV---HVVTVN--------DYLARRDAEWMGPVYR-------------GLGLSVGVIQHAS-TPAERRKAYLADVTYVTNSELGFDYLRDNMAISPDQLVLRHDH--------------------PLHYAIIDEVDSILIDEARTPLIISGPAEKATDLYYKMAEIAKK--LERGLPAEPGVRKEPTGDYTVEEKNRS-----------VHLTLQGIAKAEKLLGIEGLFSPENMELAHMLIQAIRAKELYHRDRDYIVQDGQVIIVDEFTGRLMPGRRYGEGLHQAIEAKEGVRIERENQTLATITYQNFFRLYEKRAGMTGTAKTEEKEFQEIYGMDVVVVPTNRPVIRKDFPDVVYRTEKGKFYAVVEEIAEKYERGQPVLVGTISIEKSERLSQMLKEPRLYLPRLEMRLELFKKASQKQQGPEWERLRKLLERPAQLKDEDLAPFEGLIPPKGNLRTAWEGLKRAVHTLAVLRQGIPHQVLNAKHHAREAEIVAQAGRSKTVTIATNMAGRGTDIKLGGNPEYLAAALLEKEGFDRYEWKVELFIKKMVAGKEEEARALAQELGIREELLERIREIREECKQDEERVRALGGLFIIGTERHESRRIDNQLRGRAGRQGDPGGSRFYVSFDDDLMRLFASDRVIAMLDRMGFDDSEPIEHPMVTRSIERAQKRVEDRNFAIRKQLLQFDDVLSRQREVIYAQRRLILLGKDEEVKEAAIGMVEETVASLAENFLNPEVHPEDWDLEGLKATLLDTAPQLQDFPFAELRALKAEEAVERLVEAALKAYEAREAELSPPLMRAVERFVILNVVDNAWKEHLHNLDVLRQGIFLRGYGQKDPFQEYKIEATRLFNEMVAFIKSEVAKFLFRLKVE

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 : 808 -97990 -121.27 -449.49 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -121.27 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.221

(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: