Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNLQNKLKHLEKDNHMSLSDEEQFDS-------------LKSFAKKYGS--------AMISGILIALIAFFGW---EYW-----QKRNLAT-------------------------SQTETAKVQQLMDEANATADNP-----------------NALASITASADKIVKDDIDSVQAIQTQFVLAKL----------AYEKQDYAAA--------------EKALKKVENSKVKDEGLIQVVKLRLADAQLAQN-----KYDEALKTLSGDVDPAFKATVEELRGDIFVAKKDIDSAKKAYQAAWDSLLERKQERQILQIKLESVGVLVED-PQIERPILETQVEES--------------------- 4O5J Chain:A ((27-400)) LKNLNEKYEQLSQYLNQVASLKQSIQNANNIELVNSSLNYLKSFTNNNYNSTTQSPIFNAVQAVITSVLGFWSLYAGNYFTFFVGKKVDSGQPASVQGNPPFKTIIENCSGIENCAMDQTTYDKMKKLAEDLQAAQTNSATKGNNLCALSGCAATSNPPNSTVSNALNLAQQLMDLIANTKTAMMWKNIVISGVSNTSGAITSTNYPTQYAVFNNIKAMIPILQQAVTLSQSNHTLSASLQAQATGSQTNPKFAKDIYTFAQNQKQVISYAQDIFNLFNSIPAEQYKYLEKAYLKIPNAGSTPTNPYRQVVNLNQEVQTIKNNVSYYGNRVDAALSVARDVYNLKSNQAEIVTAYNDAKTLSEEISKLPH

General information: TITO was launched using: RESULT: Template: 4O5J.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 : 908 54294 59.80 218.93 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 59.80 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.376

(partial model without unconserved sides chains): PDB file : Tito_4O5J.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4O5J-query.scw PDB file : Tito_Scwrl_4O5J.pdb: