Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKEFLKAYVQTFKDIVSNSSAFTTLFLSVILYSFFYPTAYKAERAESIPIVIVDEEQSLLTSQVIGQTANSPHVKIVDVTANFLEAEQM----VREQKADGILLLPSNLTQSLRRGETGGIGLYLSTTNFLKTKEI---------GLGLAT---SIEAT---LKEYIERFGQR--THFQPALSIHQMPL------FNTLSGYGSYIFPAVASLIIHQTIVLGLAMLVASYREQHEKIT--------PIRFAGIFASIFTIGCLGSFYLFGFTLWFNDYPHGGNFVGLLVAVPIFISCVIGLGMLIGSLLDILERAGHIIVFSSVPLFLLTG-AAWPHQAMPEWLQWFAW-CLPSTHAVQMFV-------QLNQMGVPLNVVAPKLIFLATIGVIFLITAYSRLKVSK 5XJY Chain:A ((533-1115)) ------------------------------------------------------------------------------PIATEVWLINKSMELLDERKFWAGIVFTGITPGSIELPHHVKYKIRMDIDNVERTNKIKDGYWDPGPRADPFEDMRYVWGGFAYLQDVVEQAIIRVLTGTEKKTGVYMQQMPYPCYVDDIFLRVMSRSMPLFMTLAWIYSV-AVIIKGIVYEKEARLKETMRIMGLDNSILWFSWFISS-LIPLLVSAGLLVVILKLGNLLPYSDPSVVFVFLSVFAVVTILQCFLISTLFSRANLAAACGGIIYFTLYLPYVLCVAWQDYVGFTLKIFASLLSPVAFGFGCEYFALFEEQ------------GFNLTTSVSMMLFDTFLYGVMTWYI-

General information: TITO was launched using: RESULT: Template: 5XJY.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 : 679 -72344 -106.54 -267.94 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -106.54 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.277

(partial model without unconserved sides chains): PDB file : Tito_5XJY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5XJY-query.scw PDB file : Tito_Scwrl_5XJY.pdb: