Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEHSSWHALIKAQLPEGYFGKINQFMEQVYSQGIIYPPKEKVFQALLTTLLEEVKVVILGQDPYHGPGQAQGLSFSVPDSIPAPPSLQNILKELSDDIG--VKKSH-DLTAWAEQGVLLLNACLTVPAGQANGHAGQIWEPFTDAVIQVVNHLDRPVVFVLWGAYARKKKALVTNPHHLIIESAHPSPLSVYRGFWGSKPFSKANTFLKETGQEPIDWLR 1AKZ Chain:A ((88-301)) ----SWKKHLSGEFGKPYFIKLMGFVAEERKHYTVYPPPHQVFTWTQMCDIKDVKVVILGQDPYHGPNQAHGLCFSVQRPVPPPPSLENIYKELSTDIEDFVHPGHGDLSGWAKQGVLLLNAVLTVRAHQANSHKERGWEQFTDAVVSWLNQNSNGLVFLLWGSYAQKKGSAIDRKRHHVLQTAHPSPLSVYRGFFGCRHFSKTNELLQKSGKKPIDW--

General information: TITO was launched using: RESULT: Template: 1AKZ.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 : 1013 -47594 -46.98 -225.56 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.87 3D Compatibility (PKB) : -46.98 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.539

(partial model without unconserved sides chains): PDB file : Tito_1AKZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1AKZ-query.scw PDB file : Tito_Scwrl_1AKZ.pdb: