Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVHIEAKEGEIADKILLPGDPLRAKYIAETFLEDPVCYNQVRGMLGFTGKYKGERISVQGTGMGMPSATIYAHELIQSYGVKKLIRVGTCGALSKDVHVRDLVLAQGAATSSSMIEKNFQAFHFPPISDFNLLLKAYEIAKEKGYTVHVGNVLSEDSFYKDDLTETFQLAE-LGVLGVEMEAAALYYLGAKYHVQTLSLMTVSDHLITGEETTAAERQSTFNEMIEVGLETAIAE 1PKE Chain:C ((4-233)) ---HINAEMGDFADVVLMPGDPLRAKYIAETFLEDAREVNNVRGMLGFTGTYKGRKISVMGHGMGIPSCSIYTKELITDFGVKKIIRVGSCGAVLPHVKLRDVVIGMGACTDSKVNRIRFKDHDFAAIADFDMVRNAVDAAKALGIDARVGNLFSADLFYSPD-GEMFDVMEKYGILGVEMEAAGIYGVAAEFGAKALTICTVSDHIRTHEQT-----QTTFNDMIKIALESVL--

General information: TITO was launched using: RESULT: Template: 1PKE.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1287 -125498 -97.51 -560.26 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain C : 0.88 3D Compatibility (PKB) : -97.51 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.548

(partial model without unconserved sides chains): PDB file : Tito_1PKE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1PKE-query.scw PDB file : Tito_Scwrl_1PKE.pdb: