Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLDAVTFGESMAMFYANEYGGLHEVSTFSKGLAGAESNVACGLARLGFRMGWMSKVGNDQLGTFILQELKKEGVDVSRVIRSQDENPTGLLLKSKVKEGDPQVTYYRKNSAASTLTTAEYPRDYFQCAGHLHVTGIPPALSAEMKDFTYHVMNDMRNAGKTISFDPNVRPSLWPDQATMVHTINDLAGLADWFFPGIAEGELLTGEKTPEGIADYYLKKGASFVAIKLGKEGAYFKTGTSEGFLEGCRVDRVVDTVGAGDGFAVGVISGILDGLSYKDAVQRGNAIGALQVQAPGDMDGLPTREKLASFLSAQRTVHQKKGDY 4DU5 Chain:A ((27-331)) --LDVITFGEAMMLLVADRPGPLEHAEAFHKRTAGAETNVAIGLARLGLKVGWASRLGTDSMGRYLLAAMAAEGIDCSHVVCDATQK-TGFQFKGKVTDG-PPVEYHRKGSAASHMGVADIDEAWLLSARHLHATGVFPAISATTLPAARKTMDLMRAAGRSVSFDPNLRPTLWATPELMRDAINDLATRADWVLPGMEEGRFLTGETTPEGVARFYRQLGAKLVVVKLGAEGAYFDGEAGSGRVAGFP-------VGAGDGFAVGVISALLDGLGVPEAVKRGAWIGARAVQ------GLPTRAEL-----------------

General information: TITO was launched using: RESULT: Template: 4DU5.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 : 1739 -133236 -76.62 -459.43 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -76.62 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.470

(partial model without unconserved sides chains): PDB file : Tito_4DU5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DU5-query.scw PDB file : Tito_Scwrl_4DU5.pdb: