Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKHLLSYFKPY---IKESILAPLFKL-LEAVFELLVPMVIAGIVDQSLPQGDQ--GHLWMQIGL-LLIFAVIGVLVALIAQFYSAKAAVGSAKELTNDLYRHILSLPKDSRDRLTTSSLVTRLTSDTDQIQTGI-NQFLRLFLRAPIIVFGAIFMAY-RISAELTFWFLVLVAILTIVIVGLSRLVNPFYSSLRKKTDQLVQET-------RQQLQGMRVIRAFGQEKRELQIFQTLNQVYARLQEKTGFWSSL-LTPLTYLIVNGTLLVIIWQGYISIQGGVLSQGALIALINYLLQILVELVKLAMLINSLNQSYISVKRIEEVFVEAPEDIHS-----ELEQKQATRDKVLQVQELTFTYPDAAQPSLRYISFDMTQGQILGIIGGTGSGKSSLVQLLLGLYPVDKGNIDLYQNGRSPLNLEQWRSWIAYVPQKVELFKGTIRSNLTLGFNQEVSDQELWQALEIAQAKDFVSEKEGLLDALVEAGGRNFSGGQKQRLSIARAVLRQAPFLILDDATSALDTITESKLLKAIRENFPNTSLILISQRTSTLQMADQILLLEKGELLAVGKHDDLMKSSQVYCEINASQHGKED 4A82 Chain:A ((2-577)) IKRYLQFVKPYKYRIFATIIVGIIKFGIPMLIPLLIKYAIDGVINNHALTTDEKVHHLTIAIGIALFIFVIVRPPIEFIRQYLAQWTSNKILYDIRKKLYNHLQALSARFYANNQVGQVISRVINDVEQTKDFILTGLMNIWLDCITIIIALSIMFFLDVKLTLAALFIFPFYILTVYV---------FFGRLRKLTRERSQALAEVQGFLHERVQGISVVKSFAIEDNEAKNFDKKNTNFLTRALKHTRWNAYSFAAINTVTDIGPIIVIGVGAYLAISGSI-TVGTLAAFVGYLELLFGPLRRLVASFTTLTQSFASMDRVFQL-IDEDYDIKNGVGAQPIEIKQGRID----IDHVSFQYNDNEAPILKDINLSIEKGETVAFVGMSGGGKSTLINLIPRFYDVTSGQILIDGHNIKDFLTGSLRNQIGLVQQDNILFSDTVKENILLG-RPTATDEEVVEAAKMANAHDFIMNLPQGYDTEVGERGVKLSGGQKQRLSIARIFLNNPPILILDEATSALDLESESIIQEALDVLSKDRTTLIVAHRLSTITHADKIVVIENGHIVETGTHRELIAKQGAYEHLYSIQN----

General information: TITO was launched using: RESULT: Template: 4A82.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 : 2320 -43987 -18.96 -79.40 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -18.96 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.377

(partial model without unconserved sides chains): PDB file : Tito_4A82.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4A82-query.scw PDB file : Tito_Scwrl_4A82.pdb: