Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTRIALLDYGMGNLHSAAKALEYVGATVDVTNDPKLIAQADKIVFPGVGAMRDCMQGMREAGIDEVVRK-AAFNKPVLAICVGMQALLQSSEENGGVDALGIFDGVVKHFPQMEGLKVPHMGWNQVHQMDPSHPMWNNIEQDARFYFVHSYYVEPKDENLVAATCEYGVNFCTAIHKDNLFATQFHPEKSHTAGLQLLKNFVEWNI 1KA9 Chain:H ((7-190)) -----LIDYGSGNLRSAAKALEAAGFSVAVAQDPKAHEEADLLVLPGQGHFGQVMRAFQESGFVERVRRHLERGLPFLGICVGMQVLYEGSEEAPGVRGLGLVPGEVRRF---RAGRVPQMGWNALEFGGAFAPLTGR-----HFYFANSYYGPLTPYSLGKGEYE-GTPFTALLAKENLLAPQFHPEKSGKAGLAFL--------

General information: TITO was launched using: RESULT: Template: 1KA9.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain H - contact count / total energy / energy per contact / energy per residue : 985 -58604 -59.50 -320.24 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain H : 0.80 3D Compatibility (PKB) : -59.50 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.424

(partial model without unconserved sides chains): PDB file : Tito_1KA9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KA9-query.scw PDB file : Tito_Scwrl_1KA9.pdb: