Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLLLAAAVATLSVNAVQAAPTLYGKLNVSINQVDNKNFDG-KSDVTEVNSNSSRIGVKGEEKLTDKLSAVYLAEWAISTDGSGSDTDLSARNRFIGLKTEGVGTLKVGKYDSYFKTSAGSNQDIFNDDTRLD------ITN---IMYGENRLDNVVGFELDPKLLAGLTFNIMAQTGESTSDSKKGETGKDSKNDSFDSVSTSLGYENKDLGLAIAAAGDFGIKGKYAAYGLKDVYTDAYRVTGSYDIAKSGFVVGALWQHAEPTDDLTAYGQTYKSDGSIDKAGKAYRGLEEEAYAVTAAYKIPNTKLKVKAEYASAETQVNGQADRKIDLYGLGLDYQINKQARFYGIVAQQKRDWLN---------------DDDKQTVVGTGIEYNF 2FGR Chain:A ((1-332)) ------------------ESSVTLFGIVDTNVAYVNKDAAGDSRYGLGTSGASTSRLGLRGTEDLGGGLKAGFWLEGEIFGDDGNASGFNFKRRSTVSLSG-NFGEVRLGRDLVPTSQKL-TSYDLFSATGIGPFMGFRNWAAGQGADDNGIRANNLISYYT-PN-FGGFNAGFGYAFDEKQTIG--------TADSVGRYIGGYVAYDNGPLSASLGLAQQKTAVG------GLATDRDEITLGASYNFG--VAKLSGLLQQTKFKRDI-------------------GGDIKTNSYMLGASAPVGG-VGEVKLQYALYDQKA---IDSKAHQITLGYVHNLSKRTALYGNLAFLKNKDASTLGLQAKGVYAGGVQAGESQTGVQVGIRHAF

General information: TITO was launched using: RESULT: Template: 2FGR.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 : 1729 93687 54.19 305.17 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 54.19 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.077

(partial model without unconserved sides chains): PDB file : Tito_2FGR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2FGR-query.scw PDB file : Tito_Scwrl_2FGR.pdb: