Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEHSSWHALIKAQLPEGYFGKINQFMEQVYSQGIIYPPKEKVFQALLTTLLEEVKVVILGQDPYHGPGQAQGLSFSVPDSIPAPPSLQNILKELSDDIG--VKKSH-DLTAWAEQGVLLLNACLTVPAGQANGHAGQIWEPFTDAVIQVVNHLDRPVVFVLWGAYARKKKALVTNPHHLIIESAHPSPLSVYRGFWGSKPFSKANTFLKETGQEPIDWLR 3FCL Chain:A ((7-220)) ----SWKKHLSGEFGKPYFIKLMGFVAEERKHYTVYPPPHQVFTWTQMCDIKDVKVVILGQDPYHGPNQAHGLCFSVQRPVPPPPSLENIYKELSTDIEDFVHPGHGDLSGWAKQGVLLLNAVLTVRAHQANSHKERGWEQFTDAVVSWLNQNSNGLVFLLWGSYAQKKGSAIDRKRHHVLQTAHPSPLSVYRGFFGCRHFSKTNELLQKSGKKPIDW--

General information: TITO was launched using: RESULT: Template: 3FCL.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 : 1023 -47484 -46.42 -225.04 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.87 3D Compatibility (PKB) : -46.42 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.541

(partial model without unconserved sides chains): PDB file : Tito_3FCL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3FCL-query.scw PDB file : Tito_Scwrl_3FCL.pdb: