Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLATLLLLSTVALAGCSSVQRSLRGDDYVDSSLAAEESSKVAAQSAKELNDALTNENANFPQLSKEVAEDEAEVILHTSQGDIRIKLFPKLAPLAVENFLTHAKEGYYNGITFHRVIDGFMVQTGDPKGDGTGGQSIWHDKDKTKDKGTGFKNEITPYL-YNIRGALAMANTGQPNTNGSQFFINQNSTDTSSKLPTSKYPQKIIEAYKEGGNPSLDGKHPVFGQVIGGMDVVD---KIAKAEKDEKDKPTTAITIDSIEVVKDYDFKS 4R3E Chain:A ((15-169)) -------------------------------------------------------------------------GKVLLKTTAGDIDIELWSKEAPKACRNFIQLCLEAYYDNTIFHRVVPGFIVQGGDPTGTGSGGESIY---------GAPFKDEFHSRLRFNRRGLVAMANAGS-HDNGSQFFFTLGRAD------------------------ELNNKHTIFGKVTG--DTVYNMLRLSEVDIDDDERPHNPHKIKSCEVL-------

General information: TITO was launched using: RESULT: Template: 4R3E.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 : 795 -15811 -19.89 -104.71 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -19.89 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.634

(partial model without unconserved sides chains): PDB file : Tito_4R3E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R3E-query.scw PDB file : Tito_Scwrl_4R3E.pdb: