Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEHSSWHALIKAQLPEGYFGKINQFMEQVYSQGIIYPPKEKVFQALLTTLLEEVKVVILGQDPYHGPGQAQGLSFSVPDSIPAPPSLQNILKELSDDIG-V--KKSHDLTAWAEQGVLLLNACLTVPAGQANGHAGQIWEPFTDAVIQVVNHLDRPVVFVLWGAYARKKKALVTNPHHLIIESAHPSPLSVYRGFWGSKPFSKANTFLKETGQEPIDWLR 2BOO Chain:A ((23-240)) -LPEDWQEALLPEFSAPYFHELTDFLRQERKEYTIYPPAPDVFNALRYTPLGEVKVLILGQDPYHGPNQAHGLSFSVRPGVRVPPSLRNIYKELTEDIPGFVAPKHGYLRSWAEQGVLLLNAVLTVRAGQANSHQGKGWEHFTDAVIKAVNAKEERVVFILWGSYARKKKKLITGKNHVVIESGHPSPLSE-QYFFGTRPFSKTNEALEKAGRGPVEWQL

General information: TITO was launched using: RESULT: Template: 2BOO.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 : 1092 -41432 -37.94 -192.70 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -37.94 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.597

(partial model without unconserved sides chains): PDB file : Tito_2BOO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BOO-query.scw PDB file : Tito_Scwrl_2BOO.pdb: