Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKVRFLQISDLHFQFQNYD-------TIVMRDKLLDFIEVLRRESDFDFLLLTGDIAHKGDVYNEDVKEYLNGIIKSMGLSKNNVHLVPGNHDISRDMTRTLLIDSIMKSPNPSEMLDKLDQKATNILVEGQRKFFDFYEDFMGVKYPEEDLHFLYQSEKYNVLSINTCLLSDKKGEEGTLLTAQMKLYKAIRKMNKEKNKGKVLNIAIGHHTLGCIESSERESIKAHFDDYFIDLYLAGHVHDSSFNITANTNENPFLELVSGAIIKD---E-----YATPEFISVDVNLDNGETEVTYYIWNTEYKYWSKNNQGGRRLQEGKLNYKINRLESLIEKEIEDNDDKIDEDEFKSFIIDFHEYRESYKTFTSNFDNQIGLDKKFYDMKSGETFKRKFDSYSEYFGVINHIMDSTSYVSADKKELIAETIVDKYLEFHNQYNNGDEIFVKIVNEIYLECHSVLPYSKALTKKYIKILTCWCIYECEIFNDNKRSVKND 3AV0 Chain:A ((20-253)) -HMMFVHIADNHLGYRQYNLDDREKDIYDSFKLCIKKILE----IKPDVVLHSGDLFNDLRPPV-KALRIAMQAFKKLHENNIKVYIVAGNHEMPRRLGEESP---L-------------------ALLK---D---YVKILDGK------DVINVNGEEIFICGT--YYHKK------S--KREEMLDKLKNFESEA--KNYKKKILMLHQGINPYIPLD-YEL-EHFDLPKFSYYALGHIHKRILER-FN---DGIL-AYSGSTEIIYRNEYEDYKKEGKGFYLVDFSGND-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3AV0.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 : 1120 4320 3.86 19.73 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 3.86 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.426

(partial model without unconserved sides chains): PDB file : Tito_3AV0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AV0-query.scw PDB file : Tito_Scwrl_3AV0.pdb: