Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MNQLHRRMGTFSLMMVGLGSMIGSGWLFGAWRAAQIAGPAAIISWVIGMVVILFIALSYSELGSMFPEAGGMVKYTQYSHGSFIGFIAGWANWIAIVSVIPVEAVASVQYMSSWPWEWAKWTSGLVKNGTLTGEGLAFASVLLLIYFLLNYWTVNLFSKANSLITIFKIIIPGLTIGALLFVGFHGENFTGGQSIAPNGWASVLTAVATSGIVFAFNGFQSPINMAGEAKNPGKSIPIAVVGSLFVATVIYVLLQIAFIGAVNPSDIAHGWSHLNFNSPFADLAIALNINWLVIVLYADAFVSPSGTGITYTATTSRMIYGMEKNKYMPSIFGKLHPIYGVPRQAMFF--NLIVSFIFLFLFRGWGVLAEIISVATLISYI--TGPITVMTLRRTGKDLYRPLRLKGLNVIAPLGFIFASLVLYWARWPLTGQVLFIILIGLPIYFYYQAKAKWKGFGRNFKAGVWMVFYLLAMMVISYLGSDKFGGLNVIHYGWDMVLIAMVSLVFYVWALKSGYQTEYLKDAKEINSQLLNGQSEAAAGKE--- 5GAP Chain:F ((43-457)) PFEILPESIELFRTLALISPD-----------------------------------RLSLSETAQILPKIVDLKRILQQQEIDFIKLLP------------------------------------------------FFNEIIPLIKSNIKLMHNFLISLYSRRFPELSSLIPSPLQYSKVISILENENYSKNESDELFFHLENKAKLT--------REQILVLTMSMKTSFKNKE-PLDIKTRTQILEANSILENLWKLQEDIGQYIASKISII-----------APNVCFLVGPEIAAQLIAHAGGVLEFSRIPSCNIASIGKNKHLSHELHTLES--GVRQEGYLFASDMIQKFPVSVHKQMLRMLCAKVSLAARVDAGQKNGDRNTVLAHKWKAELSKKARKLSEA-------------------PSISETK-----ALPIP---EDQPKKKRAGRKFRKYKEKFRLSHVRQLQNRMEFGKQEQTVLDSYGEEVGLGMSNTSLQQAVGATSGSRRSAGNQAKLTKVMKHRISEANQQADEFLI

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 : 1485 -217781 -146.65 -535.09 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain F : 0.57 3D Compatibility (PKB) : -146.65 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.189

(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: