Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------MTLLVKQELFKLIKKKSTAV---LSVLLVV--------LLIGTALLAKKYTTIIDPVEMTAQLFSATSWIVFIMIAAASTIISMEAQYGTLKNLLYRKYSRGEILVSKWITLVIYSVYLYLLAIIVTVL---------MKLILFPSISFTEKVSTGQTLIQSLFTYTLGSYIGLW--LILSLVLMIACFINSSGASISAGIVFYFAS---------SIISGILIALIQKWEWIKWNPISMLNLQNQIGN--EEIMKQLTHLSTN--------QMLFGNLAYIVLFLALGYLVFKRKNV--------------- 2DE3 Chain:A ((20-363)) DTLTYSNSPVPNALLTASESGFLDAAGIELDVLSGQQGTVHFTYDQPAYTRFGGEIPPLLSEGLRAPGRTRLLGITPLLGRQGFFVRDDSPITAAADLAGRRIGVSASAIRILRGQLGDYLELDPWRQTLVALG-SWEARALLHTLEHGELGVDDVELVPISSPGVDVPAEQLEESATVKGADLFPDVARGQAAVLASGDVDALYSWLPWAGELQATGARPVVDLGLDERNAYASVWTVSSGLVRQRPGLVQRLVDAAVDAGLWARDHSDAVTSLHAANLGVSTGAVGQGFGADFQQRLVPRLDHDALALLERTQQFLLTNNLLQEPVALDQWAAPEFLNNSLNR

General information: TITO was launched using: RESULT: Template: 2DE3.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 : 1321 -77978 -59.03 -304.60 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -59.03 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.142

(partial model without unconserved sides chains): PDB file : Tito_2DE3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DE3-query.scw PDB file : Tito_Scwrl_2DE3.pdb: