Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLAGCDRCRASSPPDPVNESA--EFLQ----LLRQDGVVRTDDARLMPLTGGVSCE-IYLVEDGAERFVVKRALAKLK-VKADWFADICRNRYEWEFIRYVSRFLPAVVPALRHCSATGNYFAMEYLGGEFQNWKQQLLAGEARPEAAAQAGGLLAEI-------------HRHST----GDAEAKRIFDTTPNFYQLRIEAYLL---------ATGVKHPELRPLFEAEAARLAATR-ECLVHGDFSPKNILVSPERMVLLDCEVAWYGDPSFDLAFMLNHFFLKTLLHAPREVGMRRMVEAFWAAYQTGRPTPELETRVGRLLVMLLLARVDGKSPVEYLDVGRQDFVRQFARVMLHEEAPSLGVVTNAWFARLSQFTS 2PYW Chain:A ((8-277)) ---------------PLNEKSLVDYIKSTPALSSKIGADKSDDDLVIKEVGDGNLNFVFIVVGSSGSLVIKQALPYIRCIGESWPMTKERAYFEATTLRKHGNLSPDHVPEVYHFDRTMALIGMRYLEPPHIILRKGLIAGIEYPFLADHMSDYMAKTLFFTSLLYHDTTEHRRAVTEFCGNVELCRLTEQVVFSDPYRVSTFNRWTSPYLDDDAKAVREDSALKLEIAELKSMFCERAQALIHGDLHTGSVMVTQDSTQVIDPEFSFYGPMGFDIGAYLGNLIL------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2PYW.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 : 834 -15299 -18.34 -65.10 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -18.34 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.230

(partial model without unconserved sides chains): PDB file : Tito_2PYW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2pyw-query.scw PDB file : Tito_Scwrl_2PYW.pdb: