Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLAGCDRCRASSPPDPVNESAEFLQLLRQDGVVRTDDARLMPLTGGVSCEIYLVEDGAERFVVKRALAKLKVKAD-WFADICRNRYEWEFIRYVSRFLPAVVPALRHCSATGNYFAMEYLGG-EFQNWKQQLLAGEARPEAAAQAGGLLAEIHRHSTGDAEA-------KRIFD---------TTPNFY--QLRIEAYLLATGVKH----------PELR-PLFEAEAARLAATRECLVHGDFSPKNILVSPERMVLLDCEVAWYGDPSFDLAFMLNHFFLKTLLHAPRE--------------VGMRRMVEAFWAAYQTGRPTP----------------------------ELETRVGRLLVMLLLARVDG---KSPVEYLDVG-RQDFVRQFAR----VML--HEEAPSLGVVTNAWFARLSQFTS 2PYW Chain:A ((35-418)) -----------------------------------DDLVIKEVGDGNLNFVFIVVGSSGSLVIKQALPYIRCIGESWPMTKERAYFEATTLRKHGNLSPDHVPEVYHFDRTMALIGMRYLEPPH-IILRKGLIAGIEYPFLADHMSDYMAKTLFFTSLLYHDTTEHRRAVTEFCGNVELCRLTEQVVFSDPYRV-STFNRWTSPYLDDDAKAVREDSALKLEIAE-LKSMFCERAQALIHGDLHTGSVMVTQDSTQVIDPEFSFYGPMGFDIGAYLGNLILAFFAQDGHATQENDRKEYKQWILRTIEQTWNLFNKRFIALWDQNKDGPGEAYLADIYNNTEVLKFVQENYMRNLLHDSLGFGAAKMIRRIVGVAHVEDFESIEEDKRRAICERSALEFAKMLLKERRKFKSIGEVVSAIQQ-------

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 : 1315 -32662 -24.84 -108.51 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -24.84 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.335

(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: