Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMKLLSFLKNKALGSSIDYKILPRKVKFDWKDTPIDWIPNQPFASYFINEINNILPAGEFWFC-RLYNKVLPR----ITDEKLKQDVQAFIRQEAMHANAHTSANKEYLSARNIDIQRNLD-------IMNYLFTTALADKPF-DKEVPQFLQEQWDLFRLGVIATVEHMTCVLGKYALYNKRWEELGADPEMVDLVKWHGSEEIEHRTVAFDLYRHLGGGYIPRYYLSLAVIVLVLGLWVDGAAHIMKQDPRFADAAKSRFFAAWVALEWYKISRKDNQVLPNPIWLIAQQIDYLMPWYDPVKEGSTEDAVSYLSQSPAAKRAELQAA 5HYH Chain:A ((79-229)) --------------------------------------------------YNRNTVLIEQRIANPAFELVIGGAYPGLGGQQLELAVAQAMVDEQYHTLMHINGSAVTRRMR----RSDFSDRVLPDSHITTIHQEHLD--RCEEPWQ-------RSLTTLGFATVAEISI----NAYLDLLADDQ-EIQVVNSTTVKLHNRDEYCHASISGEMMKQVY--------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5HYH.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 : 454 3455 7.61 25.04 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : 7.61 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.341

(partial model without unconserved sides chains): PDB file : Tito_5HYH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HYH-query.scw PDB file : Tito_Scwrl_5HYH.pdb: