Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEAGAFGYIRGGSEDEWTMKENTTSFNTKKIMPRILRGIDSADLHTSVFGIELDTPIIQAPSAAQGLAHEKGEADTAKGVAAAGSIFSISTYANTTIKDAADAAPGAPQFFQLYMSKDDRFNEFILNKAVEAGAKAIILTADSTLGGYREEDVINQFQFPLPMPNLAAYSEQSASGNGEGKGIAEIYAAAKQGLTPDDIKTIKEITHLPVIVKGIQSPEDAVIAISAGADGIWVSNHGGRQLDGGPASFEVLPKIAEVVNKRVPVIFDSGVRRGEHVFKALASGADLVAIGRPVIYGLNLVGQKE 2DU2 Chain:A ((36-332)) ---GGFNYIAGASGDEWTKRANDRAWKHKLLYPRLAQDVEAPDTSTEILGHKIKAPFIMAPIAAHGLAHTTKEAGTARAVSEFGTIMSISAYSGATFEEISEGLNGGPRWFQIYMAKDDQQNRDILDEAKSDGATAIILTADSTVSGNRDRDVKNKFVYPFGMPIVQRY----LRGTAEGMSLNNIYGASKQKISPRDIEEIAGHSGLPVFVKGIQHPEDADMAIKRGASGIWVSNHGARQLYEAPGSFDTLPAIAERVNKRVPIVFDSGVRRGEHVAKALASGADVVALGRPVLFGLALGGWQ-

General information: TITO was launched using: RESULT: Template: 2DU2.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 : 1749 -107279 -61.34 -361.21 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -61.34 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.485

(partial model without unconserved sides chains): PDB file : Tito_2DU2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DU2-query.scw PDB file : Tito_Scwrl_2DU2.pdb: