Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTIDHSVTNTEQLEQQNPAIKTKLKLKKLKDQVIVITGASSGIGLVTARMAAEKGAKVVAAARNEEALKELTDELKEKGHDAIWVKADVGKEEDVNRIAETAISTFGRFDTWVNNA-AVSTFGHAMDVTVEDMKRMFDTNFWGPVYGTRAAVKHYTGRGVPGALINVGSLFG-DRGTVIQSTYASAKFALHGWTESIRMELEKEQAPVSVTLIHPGRIDTPYN--------EHAHSYLDKQPAHYRSMIYPPEAVAEAILFAAEHPKRDMYIGSQAKAIAMLGALFPRLTDRLMEKIMYHSQHAERPSNPREESALYDAGCGMHDRGTNKGWMRSRSYYTKATKRPIVSAAVVAGLVAWAAAKRCR 3TOX Chain:E ((4-235)) --------------------------SRLEGKIAIVTGASSGIGRAAALLFAREGAKVVVTARNGNALAELTDEIAGGGGEAAALAGDVGDEALHEALVELAVRRFGGLDTAFNNAGALGAMGEISSLSVEGWRETLDTNLTSAFLAAKYQVPAIAALG-GGSLTFTSSFVGHTAGFAGVAPYAASKAGLIGLVQALAVELGARG--IRVNALLPGGTDTPANFANLPGAAPETRGFVEGLHALKR--IARPEEIAEAALYLA-------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3TOX.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 1144 -65856 -57.57 -296.65 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain E : 0.70 3D Compatibility (PKB) : -57.57 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.599

(partial model without unconserved sides chains): PDB file : Tito_3TOX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TOX-query.scw PDB file : Tito_Scwrl_3TOX.pdb: