Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLATLLLLSTVALAGCSSVQRSLRGDDYVDSSLAAEESSKVAAQSAKELNDALTNENANFPQLSKEVAEDEAEVILHTSQGDIRIKLFPKLAPLAVENFLTHAKEGYYNGITFHRVIDGFMVQTGDPKGDGTGGQSIWHDKDKTKDKGTGFKNEITPYLYNIRGALAMANTGQPNTNGSQFFINQNSTDTSSKLPTSKYPQKIIEAYKEGGNPSLDGKHPVFGQVIGGMDVVDKIAKAEKDEK--DKPTTAITIDSIEVVKDYDFKS 3S6M Chain:A ((6-167)) ---------------------------------------------------------------------------VELHTNHGVIKLELDEAKAPKTVENFLNYVKKGHYDGTIFHRVINGFMIQGGG-----------FEPGLKQKPTDAPIANEANNGLKNDTYTIAMARTNDPHSATAQFFINVNDNEFLNH--SSPTPQGWGYA--------------VFGKVVEGQDIVDKIKAVKTGS-HQDVPNDDVVIEKAVVV-------

General information: TITO was launched using: RESULT: Template: 3S6M.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 : 854 -50545 -59.19 -321.94 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -59.19 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.564

(partial model without unconserved sides chains): PDB file : Tito_3S6M.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3S6M-query.scw PDB file : Tito_Scwrl_3S6M.pdb: