Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEVLDVVIVGGGLVGGLTALLLAQGGVQPTVLD--AAPVLDV--EKTLSVMNPRVLALSQATIHLLKTVN---VWDDLARQMPYTGMQVWNLNGYGEINFGHESVQRPISEQALGSMVEPSVLNVAIQQKMLEQLTDYRTQVRVTCIEQGVGCWHIQLADGTALKT------KLLIGADGANSFVREQAFIDLDVLDYKQAAISC--------AIKTSKPHH---YVARQIFLPTGPLAYLPMASLEESENGYWQSIVWTLPDDYADEYSALSD-REFMQLLTRESQHMLGEVLD----VRSRAQFP---LKARAAKQY-VKAGLA-LIGDAAHVIHPLAGQGVNIGCLDAAVLCDALLH----DLGRGVWAHEQTLMRYEHRRKGQNDAMMHSMSAIGWLESSELFPLIWARNVGLKQVEQISFLKERFMQQANGLGALQNTQYSR 4J2W Chain:A ((22-379)) MSE--SVAIIGAGLVGCLAALAFSKEGYNVTLYDFRQDPRLDTTKNKNLKSIN---LAISARGIDALKSIDPDACEHILQDMIPMKGRMIHDLKGR------QESQLY---GEAINS-INRSVLNNSLLDELEKSTTELKFGHKLVKIEWTDDKQICHFAIG----TPHTEKYDFVIGCDGAYSATRSQMQRKVE-MDFSQEYMNLRYIELYIPPTEEFKPNYGGNFAIAPDHLHIWPRHKFMLIALANSD-GSFTSTFFGSKDQISDLITSKSRVREFLI----ENFPDIINIMDLDDAVKRFITYPKESLVCVNCKPYDVPGGKAILLGDAAHAMVPFYGQGMNCGFEDVRILM-ALLKKHSGDRSRAFTEYTQT-----------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4J2W.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 : 1613 -9678 -6.00 -30.92 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -6.00 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.378

(partial model without unconserved sides chains): PDB file : Tito_4J2W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4J2W-query.scw PDB file : Tito_Scwrl_4J2W.pdb: