Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTSQGEMRGRLRSNASSTGILSSNTYAKHTLKCSLKPEAMELIRCRHLNIQTTHVKAIELVSFNEAKNRLITKKVIGKELFHALWNPTNLLGRLQGHRLQNPDTLVHRITEIGTWLRKYHNSSAGLTPESTDGSWLVTAFAQKIRGIRASKLIPEPNLKKIEQKYSTELQKLTTPDYLSFNNAFPCQVHGDFVLYNVLVDSQQNMHILDFSKTRISSNLEDVARFYSTLWAIAQTNRTR-RSLLR--ELPTRFLKAYGLPPLIAETPYFRANLVYNFLAHLEAQHRGRKTFSWNTNREMGQITRAGMKWIYQQI 3ATT Chain:A ((221-297)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EPVLLWGDARVGNVLYRDFQPVAVLDWEMVALGPRELDVAWMIFAHRVFQELAGLATLPGLPEVMREDDVRATYQAL------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3ATT.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 : 186 -16150 -86.83 -218.24 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -86.83 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.071

(partial model without unconserved sides chains): PDB file : Tito_3ATT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3att-query.scw PDB file : Tito_Scwrl_3ATT.pdb: