Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------MKVFEAKTLLSE-------ATDRAKEYKEL-RTQMVNLRKALKGVADLSDSEFSGKGASN----IKAFYHDHVGVADQWIDYIDMKIAFF---NSIAGAAEDKGLSDAYIEESFLEHELANANKKSKSIMSEQKKA--MKDILNDIDDILPLDLFSTETFKDELADANDKRKKTLEKLDALDEDLKTEYALSEPNEQFIKSDFQKLQEATGKGKNATPIHYNAKAYRESDIHKKKGDIEKRTEAYLKIKKE----EAKEREIEKLKERLKNYDYADADEFYEMAKTIGYENLTAEQQRYFTQIENTRELEAGFKGVAVGLYDSGKDAVVGLWDMVTDPGGTVEAITGAMAHPIKTYEAISAAIEESYQKDMVNGDTY--SRARWVSYAVGTVVTSIVGTKGVGAVSKTGTAAKVTTKVKTAASK----SATAQKAITVSKQTVDHIKQKVNTGIEVSKKHVKTKLNQIGDLTLADILPYHPRHDLVPAGVPYNAVNGVTLKE--GL-QKFAKVILPKPYGTSSSGRRTPAPHVPPVTVKYGEHFARWSR--------------------------------KKVLKPNIIYKTKEGYTYTTDNYGRITSVKADLQLGEAKRNQYAQTNAGKPQDRKPDDDGGHLIATQFKGSGQFDNIVPMNSQINRSGGKWYEMEQEWAKALSKKPPKKVAVQIEPVYSGDSLRPSYFDVTYKIGSRKEISVSIK-NQPGG 3BZC Chain:A ((1-730)) MDSINTRIAEELSALPSGRVQPQQVAAAVALLDEGSTVPFIARYRKEVTGSLDDTQLRMLEERLRYLRELEERRGAILASIEEQGKLTPELARDIKLADTKTRLEDLYLPYKQKRRTKGQIALEAGL--GALADALFDDPTLVPESEAARFVDAEKGFADVKAVLEGAKYILMERFAEDATLLDKLRVFMKNEATLTARVVPGKEQEGAKFSDYFEHDEPLKSAPSHRALAIFRGRNEGVLSASLKVGEEAP--GTLHPCEVMIAERFGLSNQGRAADKWLAEVVRWTWKVKLYTHLETDLFGELRDGAEDEAISVFARNLHDLLLAAPAGPRATLGLDPGLRTGVKVAVV------DATGKLLDTATVYPHAPKNQWDQTLAVLAALCAKHQVELIAIGNGTASRETDKLAGELIKKYPGMKLTKIMVSEAGASVYSASELAAKEFPELDVSLRGAVSIARRLQDPLAELVK--IEPKSIGVGQYQHDVSQLKLARSLDAVVEDCVNAVGVDVNTASAALLARISGLNSTLAQNIVAHRDANGAFRTRDELKKVSRLGEKTFEQAAGFLRVMNGDNPLDASAVHPETYPLVQRIAADTERDIRSLIGDSAFLKRLDPKKFTDETFGLPTVTDILKELDKPGRDPRPEFKTAEFQEGVESLKD---LKPGMVLEGVVTNVTNFGAFVDIGVHQDGLVHIS---ALSEKFVKDPYEVVKA---GDIVKVKVMEVDIP---RNRVGLSMRMSDTPG

General information: TITO was launched using: RESULT: Template: 3BZC.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 : 2865 -118074 -41.21 -183.06 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -41.21 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.207

(partial model without unconserved sides chains): PDB file : Tito_3BZC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BZC-query.scw PDB file : Tito_Scwrl_3BZC.pdb: