Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLLLAAAVATLSVNAVQAAPTLYGKLNVSINQVDNKNFDG-KSDVTEVNSNSSRIGVKGEEKLTDKLSAVYLAEWAISTDGSGSDTDLSARNRFIGLKTEGVGTLKVGKYDSYFKTSAGSNQDIFNDDTRLDI------TN---IMYGENRLDNVVGFELDPKLLAGLTFNIMAQTGESTSDSKKGETGKDSKNDSFDSVSTSLGYENKDLGLAIAAAGDFGIKGKYAAYGLKDVYTDAYRVTGSYDIAKSGFVVGALWQHAEPTDDLTAYGQTYKSDGSIDKAGKAYRGLEEEAYAVTAAYKIPNTKLKVKAEYASAETQVNGQADRKIDLYGLGLDYQINKQARFYGIVAQQKRDWLN---------------DDDKQTVVGTGIEYNF 2FGQ Chain:X ((3-332)) --------------------SVTLFGIVDTNVAYVNKDAAGDSRYGLGTSGASTSRLGLRGTEDLGGGLKAGFWLEGEIFGDDGNASGFNFKRRSTVSLSG-NFGEVRLGRDLVPTSQKL-TSYDLFSATGIGPFMGFRNWAAGQGADDNGIRANNLISYYT-PN-FGGFNAGFGYAFDEKQTIG--------TADSVGRYIGGYVAYDNGPLSASLGLAQQKTAVG------GLATDRDEITLGASYNFG--VAKLSGLLQQTKFKRDI-------------------GGDIKTNSYMLGASAPVGG-VGEVKLQYALYDQKA---IDSKAHQITLGYVHNLSKRTALYGNLAFLKNKDASTLGLQAKGVYAGGVQAGESQTGVQVGIRHAF

General information: TITO was launched using: RESULT: Template: 2FGQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 1726 93855 54.38 307.72 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain X : 0.68 3D Compatibility (PKB) : 54.38 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.093

(partial model without unconserved sides chains): PDB file : Tito_2FGQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2FGQ-query.scw PDB file : Tito_Scwrl_2FGQ.pdb: