Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------------------MSHNLITTKTEFSQMPID-TQLTTLFCLIDDFCTDITQNVEQYMLTY--GQTKRLRQ---SKIHASEVITLL------------LWFHLTGSRNFKAFYLYWAKPFLCSYFTNLPS---------------YSRFIELKAKYAMYFVALIESLKVHSAGIAFIDSTKLAVCHNKRIHQHRVFADSASRGKTSV--DWFYGFKIHLICDHI---GRLVSYCITTGNVDD--RKVLPDLIEHSKLKGKLFGDRG------YVGKNWKSRLAEVGVQLITRVKRNMKPQVLAPFDHAVLKKRGIIEAPFKLMKSQFDLEHSRHRSK-MGLLTTIFAALTLYALVLVNGY-KSGIQQILKPIDLNSA---------------------------- 5GAP Chain:F ((43-457)) PFEILPESIELFRTLALISPDRLSLSETAQILPKIVDLKRILQQQEIDFIKLLPFFNEIIPLIKSNIKLMHNFLISLYSRRFPELSSLIPSPLQYSKVISILENENYSKNESDELFFHLENKAKLTREQILVLTMSMKTSFKNKEPLDIKTRTQILEANSILENLWKLQEDIGQYIASKISII---APNVCFLVGPEIAAQLIAHAGGVLEFSRIPSCNIASIGKNKHLSHELHTLESGVRQEGYLFASDMIQKFPVSVHKQMLRMLCAKVSLAARVDAGQKNGDRNTVLAHKWKAELSKKARKLSEAPSISETKALPIPEDQPKKKRAG---RKFRKYKEKFRLSHVRQLQNRMEFGKQEQTVLDSYGEEVGLGMSNTSLQQAVGATSGSRRSAGNQAKLTKVMKHRISEANQQADEFLI

General information: TITO was launched using: RESULT: Template: 5GAP.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 1338 -19801 -14.80 -64.08 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain F : 0.67 3D Compatibility (PKB) : -14.80 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.180

(partial model without unconserved sides chains): PDB file : Tito_5GAP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5GAP-query.scw PDB file : Tito_Scwrl_5GAP.pdb: