Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLQAENIKKAYGKKTIVKGISFSLKKGESFGLLGPNGAGKSTTISMISGLVPHDSGNITVGGYVIG--KETAKAKQKIGIVPQEIALYPTLTAHENLMFWGKMYG-LTHGEAKKRAAEVLEYVGLTERAKDKI-ETFSGGMKRRINIGAALMHKPELLIMDEPTVGIDPQSRNHILETVKQLNETGMTVIYTSHYMEEVEFLCDRIGIIDQGEMIAIGTKTDLCSRLGGDTIIQLTVSGINEAFLVAIRSLAHVNDVTVHELELKIDISAAHHEKVVTSLLAEATAHHINLLSLQVQEPNLERLFLNLTGRTLRD 4P32 Chain:A ((3-223)) -LTAKNLAKAYKGRRVVEDVSLTVNSGEIVGLLGPNGAGKTTTFYMVVGIVPRDAGNIIIDDDDISLLPLHARARRGIGYLPQEASIFRRLSVYDNLMAVLQIRDDLSAEQREDRANELMEEFHI-EHLRDSMGQSLSGGERRRVEIARALAANPKFILLDEPFAGVDPISVIDIKRIIEHLRDSGLGVLITDHNVRETLAVCERAYIVSQGHLIAHGTPTEI--------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4P32.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 : 1143 -129195 -113.03 -595.37 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -113.03 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.545

(partial model without unconserved sides chains): PDB file : Tito_4P32.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4P32-query.scw PDB file : Tito_Scwrl_4P32.pdb: