Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMKEAVTVSNVTKHFQR-----KTAVNNISFSIEKGEIAAILGPNGAGKTTVVSMILGLLKPSEGEIKLFNRVPDDQQVREKIGVMLQ--EVSVMPGLKVDEILELFRSYYPN----PLSMKELVSLTALTKEDLKTRAEK-LSGGQKRRLSFALALAGNPELLILDEPTVGMDTSSRHRFWQTIHGLSDQGKTIIFSTHYLQEADDAAQRILFFTEGQLVADGSPMQ----------------IRSRIQKQSVSFTLHSSESLERLSCHPEVERVIHEHERTIIQTSNTDKVLALIFQENIHARDIRIEQATLDEAFRQLADGNREAM 4HLU Chain:A ((5-266)) -----IEVVNVSHIFHRGTPLEKKALENVSLVINEGECLLVAGNTGSGKSTLLQIVAGLIEPTSGDVLYDGERKKGYEIRRNIGIAFQYPEDQFFAERVFDEVAFAVKNFYPDRDPVPL-VKKAMEFVGLDFDSFKDRVPFFLSGGEKRRVAIASVIVHEPDILILDEPLVGLDREGKTDLLRIVEKWKTLGKTVILISHDIETVINHVDRVVVLEKGKKVFDGTRMEFLEKYDPRFFTSKMLVMRRLVLKGEDPFSMSDDELLERVC-------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4HLU.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 : 1181 52913 44.80 226.12 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : 44.80 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.554

(partial model without unconserved sides chains): PDB file : Tito_4HLU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HLU-query.scw PDB file : Tito_Scwrl_4HLU.pdb: