Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------MSNWDTKFLKKGFTFDDVLLIPAESHV-LPNDADLTTKLADN-LTLNIPIITAAMDTVTESQMAIAIARAGGLGVIHKNMSIAQQADEVRKVKRSENGVIIDPFFLTPEHTIAEADELMGRYRISGVPVVETLENRKLVGILTNRDLRFISDYNQPISNHMTSENLVTAPVGTDLATAESILQEHRIEKLPLVDEEGSLSGLITIKDIEKVIEFPNAAKDEFGRLLVAGAVGVTSDTFERAEALFEAGADAIVIDTAHGHSAGVLRKIAEIRAHFPDR-TLIAGNIATAEGARALYEAGVDVVKVGIGPGSICTTRVIAGVGVPQVTAIYDAAAVAREYGKT---IIADGGIKYSGDIVKALAAGGNAVMLGSMFAGTDEAPGETEIFQGRKFKTYRGMGSIAAMKKGSSDRYFQGSVNEANKLVPEGIEGRVAYKGAAADIVFQMIGGIRSGMGYCGAANLKELHDNAQFIEMSGAGLKESHPHDVQITNEAPNYSM 1B3O Chain:A ((10-498)) TSYVPDDGLTAQQLFNC-----GDGLTYNDFLILPGYID-FTADQVDLTSALTK-KITLKTPLVSSPMDTVTEAGMAIAMALTGGIGFIHHNCTPEFQANEVRKVKD--Y---------------------------------------------------------------------------------------------------------------------PLASKDAKKQLLCGAAIGTHEDDKYRLDLLAQAGVDVVVLDSSQGNSIFQINMIKYIKDKY-PNLQVIGGNVVTAAQAKNLIDAGVDALRVGMG-------------SRPQATAVYKVSEYARRF---GVPVIADGGIQNVGHIAKALALGASTVMMGSLLAATTEAPGE--------------------------------------------------DKGSIHKFVPYLIAGIQHSCQDIGAKSLTQVRAMMYS----------GELKFEKRTSSAQ----

General information: TITO was launched using: RESULT: Template: 1B3O.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 : 1654 2131 1.29 7.48 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 1.29 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.514

(partial model without unconserved sides chains): PDB file : Tito_1B3O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1B3O-query.scw PDB file : Tito_Scwrl_1B3O.pdb: