Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTNKMKNHKITKLGGLNNSNYLLECENNKYVLRIPSKDNKNNFSEENFVLIFANLNKLSPPIIYHNKDNGILISKFLEDS-KVNMSTFT-SLEFLEKLSINLRKLHILKCEH--IFNPFEHIRKNFHILKSKNFNFHQDIDLVL----NKLNILEEKLSKNMTIGLCHNDLNSSNVLYYNKNVLFIDFEFSAMCDIFFDLATVSW-M-LDEKKRYFLIKSYFGYYSY-ELMEKLENYLFVVKLWNASWSFLKSLNT---NSTYDYKLGGNMIIDDLLSTL 3DXQ Chain:B ((22-286)) --------PLERLGGLTNLVFRA----GDLCLRIP------NRANEAVAAREAAKAGVSPEVLHVDPATGVMVTRYIAGAQTMSPEKFKTRPGSPARAGEAFRKLHGSGAVFPFRFELFAMIDDYLKVLSTKNVTLPAGYHDVVREAGGVRSALAA---HPLPLAACHCDPLCENFLDTGERMWIVDWEYSGMNDPLWDLGDLSVEGKFNANQDEELMRAYFGGEARPAERGRVVIYKAMCDLLWTLWGLIQLANDNPVDDFRAYADGRFARCKALME--

General information: TITO was launched using: RESULT: Template: 3DXQ.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 : 1118 -31212 -27.92 -128.44 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : -27.92 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.400

(partial model without unconserved sides chains): PDB file : Tito_3DXQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3dxq-query.scw PDB file : Tito_Scwrl_3DXQ.pdb: