Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTASLSSSPVRHPSVDNAAIPAASHHIPPPLNGYAFLEHRRSALSHDTFIARDVRQQQHPEQQDNDQAKVIIRVYALEYLRR-DEECRFALERECLAARLVVHPHLLPLGSPFASKTDLFVVEKYCAGGDLYELMVSLAKEGPIASETGAAKGEAPPRSSTGLPISTVKRFMRELLSAVQYLHRTCGLVHRNIKLETLFIDEE---QHLRLGSFGLCAVLPPPSVATGDREGALDAPEDKASSSHAPLRLCCGSKHYAAPELVQGHPYQGEGVDAWACGVVLFALLTGCFPFDSDDGDEALFRLLCGDVESHLAQHPAMAAIEDPQACDLVRNLLRPNPNARYTVSEALEHPYLWEV 3C0I Chain:A ((21-292)) ----------------------------LFEDVYELCEVIGKGPFSVVRRCINRE----------TGQQFAVKIVDVAKFTSSPGLSTEDLKREASICHMLKHPHIVELLETYSSDGMLYMVFEFMDGADLCFEIVKRAD------------------AGFVYSEAVASHYMRQILEALRYCHDN-NIIHRDVKPHCVLLASKENSAPVKLGGFGVAIQLGESGL---------------------VAGGRVGTPHFMAPEVVKREPY-GKPVDVWGCGVILFILLSGCLPFYGTKER--LFEGII-KGK--YKMNPRQWSHISESAKDLVRRMLMLDPAERITVYEALNHPWLKE-

General information: TITO was launched using: RESULT: Template: 3C0I.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 : 1271 -86916 -68.38 -324.31 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -68.38 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.430

(partial model without unconserved sides chains): PDB file : Tito_3C0I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3C0I-query.scw PDB file : Tito_Scwrl_3C0I.pdb: