Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLLLAAAVATLSVNAVQAAPTLYGKLNVSINQVDNKNFDGKSDVTEVNSNSSRIGVKGEEKLTDKLSAVYLAEWAISTDGSGSDT--DLSARNRFIGLKTEGVGTLKVGKYDSYFKTSAGSNQDIF------NDDTRLD-ITNIMYGENRL-DNVVGFELDPKLLAGLTFNIMAQTGESTSDSKKGETGKDSKNDSFDSVSTSLGYEN----------KDLGLAIAAAGDFGIKGKYAAYGLKDVYTDAYRVTGSYDIAKSGFVVGALWQHAEPTDDLTAYGQTYKSDGS-----IDKAGKAYRGLEEEAYAVT--AAYKIPNTKLKVKAEYASAETQVNGQADRKIDLYGL--GLDYQINKQARF------YGIVAQQKRDWLNDDDKQTVVGTGIEYNF 4XFK Chain:A ((9-399)) -AEPLKIALVETLSGPQASTGLLYRAAVLYQLGKINEAGGFNGEKIQILEYDNQ----GGPVGAADRVKAAIADGAQIIVQGSSSAVAGQITEDVRKYNLRNKGKEVLYLN-LGAEALELTGSKCHFYHFRFSPNAAIRFKTVAQGMKDKGILGERAYSINQNYSWGVDVENTVVANAKEIGYEVVDKTLHEVNKIQDFSPYVAKIQAANVDTVFTGNWSNDLLLLMKAASGAGLKAKFAT-----SFLDQPGNIGNAGAIAEGHIVSTPFNPEANGEASMAFAEDYKKVTGHYPSYVEPAAVFGLQLFGEALKNVKPGEGKINTTDIALAIENASVKTPMGDYSMRSDDHQAKFPMVVQEVSKKARIKADGTEYGFLPFKTFTGDESIDPVQESCSMKRPG-

General information: TITO was launched using: RESULT: Template: 4XFK.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 : 2146 80618 37.57 226.46 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 37.57 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.147

(partial model without unconserved sides chains): PDB file : Tito_4XFK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XFK-query.scw PDB file : Tito_Scwrl_4XFK.pdb: