Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKNELPIEQIEKINFAVRKGLGTNNWELMSLLSGGLTGIPVYRIIVENKSYAIKLEDVNDKDFDLQRSYKILETVSSQGIAPLVYFTDADQGIVLMKYIESK-PRPEA----SPETIQKFSSLIRELHAKNSFPK-WKSVIEILELVYQRLTLEYKKSKLIKESMHEINK---MI-NV-LFDQNDIRSCHCDLNPVNILFDGEKYFFVDWQAASPQSFYFDLAYCSNWFYFYNEDLCALFLKSYFGREVTEEENAKYYLMRIFTYIYLGIGFISLPFKENQNIPILSDENIEKLPSYLKFMQSLGSGVVDLENADVQQQFGFIFLKTAIKMMDQRYKHAYEFLLNKKTIN 3DXQ Chain:B ((6-264)) -------------ARAKLAAIPMLAGYTGPLERLGGLT-NLVFRA----GDLCLRIP-------NRANEAVAAREAAKAGVSPEVLHVDPATGVMVTRYIAGAQTMSPEKFKTRPGSPARAGEAFRKLHGSGAVFPFRFELFAMIDDYLKVLSTK---NVTLPAGYHDVVREAGGVRSALAAHPLPLAACHCDPLCENFLDTGERMWIVDWEYSGMNDPLWDLGDLSVEG-KFNANQDEELMRAYFGGEARPAERGRVVIYKAMCDLLWTLWGLIQLAND-----------------------------------------------------------------------

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 : 1128 -41258 -36.58 -171.91 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : -36.58 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.308

(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: