Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLLLAAAVATLSVNAVQAAPTLYGKLNVSINQVDNKNFDGKSDVTEVNSNSSRIGVKGEEKLTDKLSAVYLAEWAISTDGSGSDTDLSARNRFIGLKTEGVGTLKVGKYDSYFKTSAGSNQDIFNDD---TRLD-----ITN----IMYGENRLDNVVGFELDPKLLAGLTFNIMAQTGESTSDSKKGETGKDSKNDSFDSVSTSLGYENKDLGLAIAAAGDFGIKGKYAAYGLKDVYTDAYRVTGSYDI-AKSGFVVGALWQHAEPTDDLTAYGQTYKSDGSIDKAGKAYRGLEEEAYAVTAAYKIPNTKLKVKAEYASAETQVNGQADRKIDLYGLGLDYQINKQARFYGIVAQQKRDWLNDDDKQTVVGTGIEYNF 3PRN Chain:A ((1-289)) --------------------MISLNGYGRFGLQYVEDRGVG--LED-TIISSRLRINIVGTTETDQGVTFGAKLRMQWDDGDAF--AGTAGNAAQFWTS-YNGVTVSVGNVDTAFDSVA-LTY-DSEMGYEWSSFGDAQSSFFAYNSKYDASGALDNYNGIAVT-YS-ISGVNLYLSYVDPDQTVDS----------SLVTEEFGIAADWSNDMISLAAAYTTDAGG----------IVDNDIAFVGAAYKFND--AGTVGLNWYDNGLS-------------------------TAGDQVTLYGNYAFG--ATTVRAYVSDIDRA------GADTAYGIGADYQFAEGVKVSGSVQSGF-A-----NE-TVADVGVRFDF

General information: TITO was launched using: RESULT: Template: 3PRN.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 : 1383 -15367 -11.11 -55.68 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -11.11 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.149

(partial model without unconserved sides chains): PDB file : Tito_3PRN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PRN-query.scw PDB file : Tito_Scwrl_3PRN.pdb: