Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFQFQEVFPAERTAAINVAIETAFGGAKLEDVNLLTGGLSTAPVYKLTVDNRPYVMKLDVLHVAATV-DLSEKVALAAQAGIAPALLYRNVESGITISDFVENK-PIRSIFTG--EVLADRLAGAVKKIHAVPYTIPGD-DLKATIDHILTGFRQTNILSGEIPDECLRRYAEVREIYPWQDTDKVFSHNDLNPSNILCDGQDIWVIDWNTAFVNDRYVDLAGVANFFIHMPEQEAVFLKAYFGDELDEYKKARFYVMRQISRIIYALMMLHLAAKAKPADYKHDQDVAGVLLRDVGPAIGAGKLSLATYEGQFMYGKALMHEAVQQMRTARFEASLAMLKG 3DXQ Chain:B ((4-264)) --------------DEARAKLAAIPMLAGYTGPLERLGGLTN-LVFRA----GDLCLRIP------NRANEAVAAREAAKAGVSPEVLHVDPATGVMVTRYIAGAQTMSPEKFKTRPGSPARAGEAFRKLHGSGAVFPFRFELFAMIDDYLKVLSTKNVTLPAGYHDVVREAGGVRSALAAHPLPLAACHCDPLCENFLDTGERMWIVDWEYSGMNDPLWDLGDLSVEGKFNANQDEELMRAYFGGEARPAERGRVVIYKAMCDLLWTLWGLIQLAND-----------------------------------------------------------------

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 : 1177 -10566 -8.98 -42.60 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.67 3D Compatibility (PKB) : -8.98 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.353

(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: