Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHGRSRLYRYLKSGRLSAKAGFDRYPDLRVKQL--GGSHNVYLVSDHRSHKKCIVKSFAGSGP-------KSVQHMEKEYKRLRQAGRLVDDRRWVHVARPLCKSNGEGFFAEELVSG-KA-LGDYMRDAMANGRDSELYEKLTMLAGFLALLHKKTERPS--H---V---KP---SNIRD------ELKKHARQ--ASK-G-GAF---------APHELKRIESLVDNVTSNDLISQTRRGLVHGDANPSNFLYDKKRLNVIDMERSGYRDPVYDLGMLAGELCHYAMKYGGNEY--------------KADPFIGHLYWTYAGNFKDQLGTFIRLTGRNPIYMANSLLRIARHPFFSPEYKRRLARKAYECLKSLKK 2PYW Chain:A ((36-318)) --------------------------DLVIKEVGDGNLNFVFIVVGS--SGSLVIKQALPYIRCIGESWPMTKERAYFEATTLRKHGNLS----PDHVPEVYHFDRTMALIGMRYLEPPHIILRKGLI----AG--IEYPFLADHMSDYMAKTLFFTSLLYHDTTEHRRAVTEFCGNVELCRLTEQVVFSDPYRVSTFNRWTSPYLDDDAKAVREDSALKLEIAEL----KSMF--CERAQALIHGDLHTGSVMVTQDSTQVIDPEFSFYGPMGFDIGAYLGNLILAFFAQDGHATQENDRKEYKQWILRTIEQTWNLFNKRFIALW----------------------------------------------------

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 : 943 -17054 -18.08 -74.80 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -18.08 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.269

(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: