Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPIDTQLTTLFCLIDDFCTDITQNVEQYMLTYGQTKRLRQSKIHASEVITLLLWFHL----TGSRNFKAFYLYWAKPFL---CSYFTNLPSY-------------------SRFIELKAKYAMYFVALIESLKVHSAGIAFI----DSTKLAVCHNKRIHQHRVFADSASRGKTSVDWFYGFKI--HLICDHIGRLVSYCITTGNVDDRKVLPDLIEHSKLKGKLFGDRGYVGKNWKSRLAEVGVQLITRVKRNMKPQVLALFDHAV-LRKRGIIEAPFKLMKSQFDLEHSRHRSKMGLL-TTIFAALTLYALVLVNGYKSGIQQILKPIDLNSA 4BFA Chain:A ((22-338)) ASMRVLLAPMEGVLDSLVRELLTEVNDYDLCITEFVRVVDQLLPVKVFHRICPELQNASRTPSGTLVRVQLLGQFPQWLAENAARAVELGSWGVDLNCGCPSKTVNGSGGGATLLKDPELIYQGAKAMREAVPAHLPVSVKVRLGWDSGEKKFEIADAVQQAGA-TELVVHGRTKEQGYRAEHIDWQAIGDIRQRLNIPVIANGEIWDWQSAQQCMAISGCDAVMIG-RGALNIPNLSRVVKYNE------PRMPWPEVVALLQKYTRLEKQG----------DTGLYHVARIKQWLSYLRKEYDEATELFQHVRVLNNSPDIARAIQAIDIEKL

General information: TITO was launched using: RESULT: Template: 4BFA.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 : 1640 -49744 -30.33 -175.77 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -30.33 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.220

(partial model without unconserved sides chains): PDB file : Tito_4BFA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BFA-query.scw PDB file : Tito_Scwrl_4BFA.pdb: