Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGMQRSGTAIAASFYLKLQRIKPLMLVKPSFKKRLLLTTLLSLSATQIFASNNSEQIPIGKLPEWVIPESYDLDFKIDPA--QKGYTGKTTIHLKLVQATDHIWIHGKSLTVKAVNITSAEGV--K--T---KAKYEQASEVDGMSKIKFAKTLPAGQYQLVLDFNVAYDQQLDGIYKIEFEG-----KPYVMTQMEAISARQSFPSFDEPRFKTPFNIRLTIPSKYSGFANTQQTSEQAEKSGWKTLSFAQTKPLPTYLLALAVGPWQLQKGPDIGATSWRKQPIQLRGIAPDAKAEKMQHALSETPAILKTLEDYFAFGYP--FDKLDLLAAPDFAAGAMENPGLITFRDYLMLLDKES-PVSFVQNSFNVNAHELAHQWFGDVVTMPWWDDLWLNESFATWMQSKITQKLHPEFNADL-ERITDTADAMKSDSLVSVRRIRQPILSNADIQTAFDGITYQKGAAVLNMFESYLGEEKFKQGVRNYINKHQYGNATANDLISALAEQSE------QSERFAKAMKSFLDQPGVPLINTALQQEGNKVFLNVKQSRYLPVGSKGDARSLWGVPLCVRYEVPNAGS-KVQCELVDQAEAKIELKGASLGSWYIPNADAAGYYQFSLPQKEFTRLTAATEKLSNT-EQLAYAYAISAAFN---HGDINLLAVVDAAKKFANSNSRQISTALFSQLSTIHRHVLKTEAEREHFRKVLANLYLPKLNQLGYVSKT-GESAEDSLWRSELVRFLALDIQVPEVRTQLLKQSDALFAQKQLNFAQVTPELLPTILAVRVQEKGQPAFDRLSGELQRVTQPTQRLAILTALGSANQEATRQQARQLILNP------LVKVGEVRTVVNSI-NNYGDEQGGLWSWFKVNHD--AVFDRLGKFSAGRFPAMFSGAACIQQQAAQLNDFFAPRTKELVGVERGLKQTKERIQLCESLVAKQDGSI-VQQLKL 4WZ9 Chain:B ((42-925)) -------------------------------------------------------VDERYRLPTTSIPIHYDLHLRTEIHRNERTFTGTVGIQLQVVQATDKLVMHNRGLVMSSAKVSSLPNGVTGAPTLIGDVQYST-DTTFEHITFTSPTILQPGTYLLEVAFQGRLATNDDGFYVSSYVADNGERRYLATTQFESTSARMAFPCYDEPGLKATFTVSITHSLSYKAISNMPQKTTTDIETDMRTTFFEKTPAMSTYLLAFVVSDFQLRLSG------------AQRVYVRPNAFNEATFALEAGVKILKVLDDHLGIPYDTYMPKLDQIAIPDFAAGAMENWGLVTYREQALLFNPAVSTYRGKTNVATTIAHEYAHQWFGNLVSPEWWEYIWLNEGFATLYEFYALDMAYPGQEYWELFNQQVIQYAMGQDGQASTRPMNWNAATPGEISALFDRVAYDKSGSVLNMMRHVLGDDNWKAGLKAYLTDRALQGAVDEQLYAGLQSAIEGKGVLPNGVTVAQIMRTWTNEAGYPVLNVRRSYDT--GDVIISQERFYNDRKV-PNTNIWMIPYNYVHQAKADFNEFDDFQWLATKAARIET-TVPANEWIVFNKQQVGYYRVNYDEHNWELITNALHENWASIHRLNRAQLIDDAYWLARSGRLDLRVALRFMTYLRNEREYAPWTAANVALTYFNNRLRG-TAEYHNFLIFVDALIEDIYSLLTIDAVSPDDTLLHKYLVQTISTWA-CSMGYTDCLMKTAALLKAEASGT---GPAVHPDIASVTYCYGMRSALESEFQYLYRKMMNSKNLAERTMLIDSLGCSNNKEFLKAFLTTALGSGTGVEINYRADERRRVVQAIYSGGRTGVDALIEFLMDPALVNEFVSTLSTSTLNSALSAIASRTNNVEEMNKLNALITALG--SRVNSQTAANLRTTAQANLDWVNGFEGLMLSNFLAE

General information: TITO was launched using: RESULT: Template: 4WZ9.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 4863 80230 16.50 95.06 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.69 3D Compatibility (PKB) : 16.50 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.375

(partial model without unconserved sides chains): PDB file : Tito_4WZ9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WZ9-query.scw PDB file : Tito_Scwrl_4WZ9.pdb: