Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKQLKEDIQAVFARDPAARNTLEVLTTYPGIHALLLHRLAHELWKKDCKGTARFVSSFSRFATGIEIHPGAKIGKRFFIDHGMGVVIGETAEIGDDVTLYHGVTLGGTTWNKGKRHPTLEDGVVVGAGAKILGPFTVGKGAKVGSNAVVTKAVPAGVTAVGNPARYIYKDADKTKDKDEERRRDYAQSIGFAPYATTADQSDPILEGMRVLLDRVQHNETRMNNLCQRLSELDPTFKKESQDEQPFSDEELKILEEIRRECGAQNKTSKT 4H7O Chain:C ((80-248)) ---AAACDICATVNRDPAVSMYSMPLLYLKGYHALQGYRVANWLWRQGRKALATYFQNQISVACQVDIHPAARIGRGIMLDHATGIVIGETAVVEDDVSILQDVTLGGTGKECGDRHPKIREGVMIGAGAKILGNIEVGEGAKIGSGSVVLQAVPPHTTVAGVPARIVGRPQ---------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4H7O.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 925 -105138 -113.66 -622.12 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain C : 0.75 3D Compatibility (PKB) : -113.66 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.636

(partial model without unconserved sides chains): PDB file : Tito_4H7O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4H7O-query.scw PDB file : Tito_Scwrl_4H7O.pdb: