Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLLHAIQTHAETYPQTDAFRSQGQSLTYQELWEQSDRAAAAIQKRISGEKKSPILVYGHMEPHMIVSFLGSVKAGHPYIPVDLSIPSERIAKIIESSGAELLIHAAGLSIDAVGQQIQTVSAEELLENEGGSVSQDQWVKEH-----ETFYIIYTSGSTGNPKGVQISAANLQSFTDWICAD--FPVSGGKIFLNQAPFSFDLSVMDLYPCLQSGGTLHCVTKDAVNKPKVLFEELKKSGLNVWTSTPSFVQMCLMDPGFSQDLLPHADTFMFCGEVLPVSVAKALLERFPKAKIFNTYGPTEATVAVTSVEITNDVISRSESLPVGFAKPDMNIFIMDEEGQPLPEGEKGEIVIAGPSVSRGYLGEPELTEKAFFSHEGQWAYRTGDAG-FIQDGQIFCQGRLDFQIKLHGYRMELEEIEFHVRQSQYVRSAVVIP-YQPNGTVEYLIAAIVPEE---HEFEKEFQLTSAIKKELAASLPAYMIPRKFIYQDHIQMTANGKIDRKRIGEEVLV 3LGX Chain:C ((6-510)) --MIDSIEQFAQTQADFPVYDCLGERRTYGQLKRDSDSIAAFIDS-LALLAKSPVLVFGAQTYDMLATFVALTKSGHAYIPVDVHSAPERILAIIEIAKPSLII-----AIEEFPLTIEGISLVSLSEIESAKLAEMPYERTHSVKGDDNYYIIFTS--TGQPKGVQISHDNLLSFTNWMIEDAAFDVPKQPQMLAQPPYSFDLSVMYWAPTLALGGTLFALPKELVADFKQLFTTIAQLPVGIWTSTPSFADMAMLSDDFCQAKMPALTHFYFDGEELTVSTARKLFERFPSAKIINAYGPTEATVALSAIEITREMVDNYTRLPIGYPKPDSPTYIIDEDGKELSSGEQGEIIVTGPAVSKGYLNNPEKTAEAFFTFKGQPAYHTGDIGSLTEDNILLYGGRLDFQIKYAGYRIELEDVSQQLNQSPMVASAVAVPRYNKEHKVQNLLAYIVVKDGVKERFDRELELTKAIKASVKDHMMSYMMPSKFLYRDSLPLTPNGKIDIKTLINEV--

General information: TITO was launched using: RESULT: Template: 3LGX.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 2803 -34563 -12.33 -70.39 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain C : 0.83 3D Compatibility (PKB) : -12.33 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.521

(partial model without unconserved sides chains): PDB file : Tito_3LGX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LGX-query.scw PDB file : Tito_Scwrl_3LGX.pdb: