Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFNTAVKILYRSLIELTNHRLSSYLIKGFCESKISKPVIPLFSKHFRLNWDDVDGTAADYGSLSELFIRQINLERRPVSKEAHAVVSPVDGVVQTVGIINPNQTFTVKGKDYSFAELTGCKSADHQYNGGYFVVLYLSPRHYHRFHSPISCRYQKLAELGNRSYPVNQLGLKYGKDVLSKNYRFVYELNSGSRNVLMIPVGAMNI---NS-IVQTNT-RTELEIGEELGYFSF------G--STVILVFEKDAFQPSAHLAEGQEVQVGELIGYEE 3OUR Chain:B ((20-163)) ---------------------------------------------------------------------------------AIEIIAPLSGEIVNIEDVPDV-VFAE-----------------KIVGDGIAI----KPTG-NKMVAPVNGTIGKIF-----------------------ETNHAFSIESDDGVELFVHFGIDTVELKGEGFTRIAEEGQTVKAGDTVIEFDLALLEEKAKSTLTPVVISNMD-EIKELNKLSGSVVVGETP----

General information: TITO was launched using: RESULT: Template: 3OUR.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 726 -88627 -122.08 -676.54 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.58 3D Compatibility (PKB) : -122.08 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.395

(partial model without unconserved sides chains): PDB file : Tito_3OUR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OUR-query.scw PDB file : Tito_Scwrl_3OUR.pdb: