Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLMDYEKERTERAERIRKGGAEKYHQSNREKGKLFVRERLSLLFDDDIELEDAFFAECMSD-------GLPADGVVTAIGKIGGQTVCVMANDSTVKAGSWGAKTVEKIIRIQEIAEKLNCPLIYLVDSAGARITDQINVFPGRRGAGRIFYNQVKLSGRIPQICLLFGPSAAGGAYIPAFCDIVVMVDGNASMYLGSPRMAEMVIGEKVSLEEMGGARMHCSISGCGDILAETEEEAIQLVRAYLSYFPANFQEKAPIHEKRPPKHFETPLADVIPQNQNAPFDMHELIERVIDEDSFFEIKALFAPELLTGLARIHGQPVGIVANQPKVKGGVLFHDSADKAAKFITLCDAFHIPLLFLADIPGFMIGTKVEQAGIIRHGAKMISAMSEATVPKLSVIVRKAYGAGLYAMAGPAFEPDCCLALPTAQIAVMGPEAAVNAVYAKKI--AELPEEERAAFISSKREEYKEDINI-YRLASEMIIDAVIPANSLRDELAKRLKAYMTKEMTFTNRKHPVYPV 1ON3 Chain:E ((21-522)) ----------EQRQVIEAGGGERRVEKQHSQGKQTARERLNNLLDPHSFDEVGAFRKHRTTLFGMDKAVVPADGVVTGRGTILGRPVHAASQDFTVMGGSAGETQSTKVVETMEQALLTGTPFLFFYDSGGARIQEGIDSLSGY---GKMFFANVKLSGVVPQIAIIAGPCAGGASYSPALTDFIIMTK-KAHMFITGPQVIKSVTGEDVTADELGGAEAHMAISGNIHFVAEDDDAAELIAKKLLSFLPQNNTEEASFVNPNNDVSPNTELRDIVPIDGKKGYDVRDVIAKIVDWGDYLEVKAGYATNLVTAFARVNGRSVGIVANQPSVMSGCLDINASDKAAEFVNFCDSFNIPLVQLVDVPGFLPGVQQEYGGIIRHGAKMLYAYSEATVPKITVVLRKAYGGSYLAMCNRDLGADAVYAWPSAEIAVMGAEGAANVIFRKEIKAADDPDAMRA----EKIEEYQNAFNTPYVAAARGQVDDVIDPADTRRKIASALEMYATKRQTRPAKKHGNFP-

General information: TITO was launched using: RESULT: Template: 1ON3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 2902 -20229 -6.97 -41.12 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain E : 0.81 3D Compatibility (PKB) : -6.97 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.451

(partial model without unconserved sides chains): PDB file : Tito_1ON3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1ON3-query.scw PDB file : Tito_Scwrl_1ON3.pdb: