Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKIKKKKLFIPIIILVLTAFLALIGYISIIFLGHYVIDEKKLILHASSKIVDQNGDEVASLYTENREPVSINEIPKQVREAFIAVEDKRFYEHHGIDAKSVGRAVYRDILAGGKVEGGSTITQQLAKNIFLTHDKTFLRKTKEVIIAINLERDYSKDKLLEMYLNQLYFGHGVYGIQAASHYYFNKEVKDLTVSEGAVLAAIPKAPSTYSPILHPDKNKERRDTILGMMNDQGYISAKEAVTAQGRTLGLHVKKQ----SETPWFDSYIDLVIKEAEDKYSISGEQLLQGGYTIKVPLDSKLQKTAYQVMKEGSYYPGTDQNA---EGSAVFINNKTGGVEAAIGGR-DYTSKGYNRVTAVR-QPGSTFKPLAVYGPAMQEKKFKPYSLLKDELQSY-GDYTPKNYDSRYEGEVTMSDAITYSKNAPAVWTLNEIGVETGKSYLKANGIDIP--DEGLALALGGLEKGVSPLQLAGAFHTFAANGTYTEPFFISSIIDEDGETIADHKEEGKRVFSKQTSWNMTRMLQQVVKKGTATSGTYHG-DLAGKTGSTS--YTGVSGATKDAWFAGYTPKITGAVWMGYDKTDQNHYLKAGSSYPTRLFKDILTQAGETGHVFTKPKNVKELESPIELKPVKTLTADYTFKAAGLFTIELKWDAQEDDRAVYRIYVNKDGEETLLDSVEGKGSYEIPYANLFSGASYKIVPYNTQTKREGEGTDYVQPKLFSS 3ZG7 Chain:B ((8-446)) -----------------------------------------------------------------------------------------------------------------------------------------------------------SKDEIMEMYLNRSYFGNGEWGVENASLKYFGKSAADLNIPEAATIAGLLQAPSAYDPYQHIDKATNRRNMVLNAMVETGTISKAEGDKYKATKIVLNDQSKDPLANKYPW---YVDAVINEAVNEADITQDEIMQKGYKIYTELDQNYQTSLENVYNNDGLFPSNANDGTLVQSGAVLMDPATGGIRALVGGRGEHVFRGFNRATQMKAQPGSTMKPLAVYTPALQS-GYDVDSMLKDEKITYKGNYTPTNVGGVYSGEVPMYKAVANSINAPAVWLLDQIGIDKGVKSVEKFGITVPEKDRTLGLALGGMSKGASPVEMATAYATFANNGAKPESHIITKIVDPSGNTVYENVPKTKQIISETVSNEMTSMLLDVINTGTGQSAAVSGHEMAGKTGSTQVPFDDTSG-TKDQWFVGYTPNLVGAVWMGYDKTDKEHYLTTTSS----------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3ZG7.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 : 2283 -105049 -46.01 -247.76 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : -46.01 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.462

(partial model without unconserved sides chains): PDB file : Tito_3ZG7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ZG7-query.scw PDB file : Tito_Scwrl_3ZG7.pdb: