Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLLLAAAVATLSVNAVQAAPTLYGKLNVSINQVDNKNFDGKSDVTEVNSNSSRIGVKGEEKLTDKLSAVYLAEWAISTDGSGSDTDLSARNRFIGLKTEGVGTLKVGKYDSYFKTSAGSNQDIFNDDTR--L------DIT----NIMYGENRLDNVVGFELDPKLLAGLTFNIMAQTGESTSDSKKGETGKDSKNDSFDSVSTSLGYENKDLGLAIAAAGDFGIKGKYAAYGLKDVYTDAYRVTGSYDI-AKSGFVVGALWQHAEPTDDLTAYGQTYKSDGSIDKAGKAYRGLEEEAYAVTAAYKIPNTKLKVKAEYASAETQVNGQADRKIDLYGLGLDYQINKQARFYGIVAQQKRDWLNDDDKQTVVGTGIEYNF 1BH3 Chain:A ((1-289)) --------------------MISLNGYGRFGLQYVEDRGVG--LED-TIISSRLRINIVGTTETDQGVTFGAKLRMQWDDGDAF--AGTAGNAAQFWTSY-NGVTVSVGNVDTAFDSVAL-TY-DSEMGYEASSFGDAQSSFFKYNSKYDASGALDNYNGIAVT-YS-ISGVNLYLSYVDPDQTVDS----------SLVTEEFGIAADWSNDMISLAAAYTTDAGG----------IVDNDIAFVGAAYKFND--AGTVGLNWYDNGLS-------------------------TAGDQVTLYGNYAFG--ATTVRAYVSDIDRA------GADTAYGIGADYQFAEGVKVSGSVQSGF-A-----NE-TVADVGVRFDF

General information: TITO was launched using: RESULT: Template: 1BH3.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 : 1391 -14647 -10.53 -53.07 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -10.53 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.139

(partial model without unconserved sides chains): PDB file : Tito_1BH3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1BH3-query.scw PDB file : Tito_Scwrl_1BH3.pdb: