Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLTKAEALAHTVIYRKNSRFDKVKEKSEELTLIGKGRSAYVFALTE--GGRKMALKVFFPEY--QATAVKEAAIYEKLAGSAFYPDIYETGD----SFILMEYIKGETFYNCLKKGIAISD----DMIQQVEEALSDARAAGLNPSDIHLRNLILTETGAVRVIDVARFEQTKTCTQWDDLKSAYHALYKKPI----FPKKIPGFWLEIIAFLYKKDWFQKHFAQRKRKYS 4BKY Chain:A ((7-212)) ---------------------ELLKYYELHETIGTGGFAKVKLACHILTGEMVAIKIMDKNTLDLPRIKTEIEALKNL-RHQHICQLYHVLETANKIFMVLEYCPGGELFDYIISQDRLSEEETRVVFRQIVSAVAYVHSQGYAHRDLKPENLLFDEYHKLKLIDFGLCA--------------SLAYAAPELIQGK-GSEADVWSMGILLYVLMCGFLPFDD--------

General information: TITO was launched using: RESULT: Template: 4BKY.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 : 761 -27736 -36.45 -163.15 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -36.45 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.616

(partial model without unconserved sides chains): PDB file : Tito_4BKY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BKY-query.scw PDB file : Tito_Scwrl_4BKY.pdb: