Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLHNPTGKERLALAFLLGMLAILGPLNIDMYLPSFPEIAK-DLSASASLVQLSLTACLVGLTIGQLIVGPVSDAQGRRKPLLICIFLFALSSLFCALSPNITTLVAARFLQGFTASAGLVLSRAIVRDVFTGRELSKFFSLLMVITAVAPMVAPMTGGAILLLPFATWHTIFHVLMIIGFLLVLLIALRLKETLPLEKRIPSSIGTSVKTMGSLLKDRSFMGYALTVGFIHGGSFAYVSGTPFVYQDIYGVSPQVFS---ILFGINGLAIISGSFIIGRFGGIIHEKSLLRIAVITAMIATAVLLTMTMIHGPLATLVISIFIYMITIGMVLTSTFTLAMEKQG-HRAGSASALLGMLPLLLGSIVSPLVGI-NETTAVPMGAIMFVTAVIGSLAFFGLTKERVGQNS 3WDO Chain:A ((14-364)) -------------TWGLGTVFSLRMLGMFMVLPVLTTYGMALQGASEALIGIAIGIYGLTQAVFQIPFGLLSDRIGRKPLIVGGLAVFAAGSVIAALSDSIWGIILGRALQGSGA--IAAAVMALLSDLTREQNRTKAMAFIGVSFGITFAIAMVLGPII--THKLGLHALFWMIAILATTGIALTIWVVPNSSTHVLNRE--SGMVKGSFSKVLAEPRLLKLNFGIMCLHMLLMSTFVALPGQLAD-AGFPAAEHWKVYLATMLIAFGSVVPFIIYAEVKRKMKQ--VFVFCVGLIVVAEI-VLW--NAQTQFWQLVVGVQLFFVAFNLMEALLPSLISKESPAGYKGTAMGVYSTSQFLGVAIGGSLGGWIDGM--------------------------------

General information: TITO was launched using: RESULT: Template: 3WDO.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 : 1674 -281833 -168.36 -816.91 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -168.36 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.278

(partial model without unconserved sides chains): PDB file : Tito_3WDO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WDO-query.scw PDB file : Tito_Scwrl_3WDO.pdb: