Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLQAENIKKAYGKKTIVKGISFSLKKGESFGLLGPNGAGKSTTISMISGLVPHDSGNITVGGYVIG--KETAKAKQKIGIVPQEIALYPTLTAHENLMFWGKMYG-LTHGEAKKRAAEVLEYVGLTERAKDKI-ETFSGGMKRRINIGAALMHKPELLIMDEPTVGIDPQSRNHILETVKQLNETGMTVIYTSHYMEEVEFLCDRIGIIDQGEMIAIGTKTDLCSRLGGDTIIQLTVSGINEAFLVAIRSLAHVNDVTVHELELKIDISAAHHEKVVTSLLAEATAHHINLLSLQVQEPNLERLFLNLTGRTLRD 4P33 Chain:B ((3-223)) -LTAKNLAKAYKGRRVVEDVSLTVNSGEIVGLLGPNGAGKTTTFYMVVGIVPRDAGNIIIDDDDISLLPLHARARRGIGYLPQEASIFRRLSVYDNLMAVLQIRDDLSAEQREDRANELMEEFHI-EHLRDSMGQSLSGGERRRVEIARALAANPKFILLDQPFAGVDPISVIDIKRIIEHLRDSGLGVLITDHNVRETLAVCERAYIVSQGHLIAHGTPTEI--------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4P33.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1094 -122481 -111.96 -564.43 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : -111.96 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.553

(partial model without unconserved sides chains): PDB file : Tito_4P33.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4P33-query.scw PDB file : Tito_Scwrl_4P33.pdb: