Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLGANQKHKNYYEGPKVIVTWALGHLLGLKMPEDLNKEWQSWQMDTLPMIPKKLGIKPLPKT----GHQLKAIKQLAQRKDVSEAVIATDAGREGELVARWILEYVHFN---KPVKRLWISSQTDKAIKTGFKQLRPAKEYDALYESALARAKADWLVGLNVTRALTVKYA---------DNLSAGRVQTPTLALVRDQEKKIEQFRPQTYFTITLQAGK----EQAKMLQKNQFALKTQEEAQKLVQLIST-SKGTVTEVQEKLKTESAPLPYDLTEIQREANQRYGYSAKKTLSLVQSLYETHKIVTYPRTDSKYLTNDMKSTMKERLQAVS---DFAPEVKQYLKNGAIVQQTKVFQDSKVTDHHALLPTENRARYEKLSNEERKIYQMIVSRFLGLFAQPHKVSQTKVTVEFGKERFIFRQNRVVQAGWKGETETET----ETVKWEKGMRINP-DFAIKKELSAPPKPLSEASLLGQMEKYSLGTPATRAEIIEKLIKSELMERT-PQGLQVSPKGKQLLVLVNP---SLVTPDLTESWEKDLEAIAAGKKQAGTFLNGIEKETKRLVNEIKS-SK-Q-E-Y--------QDFSITQKKCPECGANLREKNTRDGKIYVCTNSDCNYRRRKDPKVSNHRCPQCHRKMEIIEGKNGAYFRCKYDGTTEKLLDKKEQKKKMTKHEERRLLKKYAQAEEPEESPLAAALKAAMKK 4CGY Chain:A ((84-640)) ---------------TMVMTSVSGHLLAHDFQMQF----RKWQ-SCNPLVL--FEAEIEKYCPENFVDIKKTLERETRQC--QALVIWTDCDREGENIGFEIIHVCKAVKPNLQVLRARFSEITPHAVRTACENLTEPDQ--RVSDAVDVRQELDLRIGAAFTRFQTLRLQRIFPEVLAEQLISYGSCQFPTLGFVVERFKAIQAFVPEIFHRIKVTHDHKDGIVEFNWK---RHRLFNHTACLVLYQLCVEDPMATVVEVRSKPKSKWRPQALDTVELEKLASRKLRINAKETMRIAEKLYTQ-GYISYPRTETNIFPRDLNLTV--LVEQQTPDPRWGAFAQSILERGG--PTPR-NGNKSDQAHPPIHPTKYTN---NLQGDEQRLYEFIVRHFLACCSQDAQGQETTVEIDIAQERFVAHGLMILARNYLDVYPYDHWSDKILPVYEQGSHFQPSTVEMVDGETSPPKLLTEADLIALMEKHGIGTDATHAEHIETIKARMYVGLTPDKRFLPGHLGMGLVEGYDSMGYEMSKPDLRAELEADLKLICDGKKDKFVVLRQQVQKYKQVFIEAVAKAKKLDEALAQYFGNGT--------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4CGY.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 : 2453 98156 40.01 191.71 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 40.01 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.439

(partial model without unconserved sides chains): PDB file : Tito_4CGY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CGY-query.scw PDB file : Tito_Scwrl_4CGY.pdb: