Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLHNPTGKERLALAFLLGMLAILGPLNIDMYLPSFPEIAKDLSASASLVQLSLTACLVGLTIGQLIVGPVSDAQGRRKPLLICIFLFALSSLFCALS---PNITTLVAARFLQGFTASAGLVLSRAIVRDVFTGRELSKFFSLLMVITAVAPMVAPMTGGAILLLPFATWHTIFHVLMIIGFLLVLLIALRLKETLPLE---K-RIPS--S-------IG-----------TSVKTMGSLLKDRSFMGYALTVGFIHGG-----SFAYVSGTPFVYQDIYGVSPQVFSILFGINGLAIISGSFIIGRFGGIIHEKSLLRIAVITAMIATAVLLTMTMIH--G--PLATLVISIFIYMITIGM-VLTSTFTLAMEKQ-GHRAGSASALLGMLPLLLGSIVSPLVGINETTAVPMGAIMFVTAVIGSLAFFGLTKERVGQNS 4YB9 Chain:D ((69-432)) ----------------------------------------------LLWSVTVSMFPFGGFLGSLMVGPLVNNLGRKGTLLFNNIFSIVPALLMGFSELAKSFEMIIVARVLVGICAGLSSNVVPMYLGELAPKNWRGALGVVPQLFITIGILVAQIFGLRSLLANEEGWPILLGLTGIPAVLQLLF-LPFFPESPRYLLIQKKDEAAAKSALRRLAEIEEILEEDRAEKAVGFISVLKLFKMRSLRWQVISIIVLMAGQQLSGVNAIYYYADQI-YLSAGVNEDDVQYVTAGTGAVNVLITVCAIFVVELMGRRFLLLLGFSVCFTACCVLTGALALQDVISWMPYVSIACVISYVIGHALGPSPIPALLVTEIFLQSSRPAAYMVAGTVHWLSNFTVGLVFPF-----------------------------------

General information: TITO was launched using: RESULT: Template: 4YB9.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1327 -213110 -160.59 -668.05 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain D : 0.65 3D Compatibility (PKB) : -160.59 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.296

(partial model without unconserved sides chains): PDB file : Tito_4YB9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YB9-query.scw PDB file : Tito_Scwrl_4YB9.pdb: