Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFFRNQLANVVEWEEFRDDMIFYKWNNREIKKGSRLIIRPGQDAVFLNNGRVEGVFQDDGDYDIESEIIPFLSTLKGFKFGFNSGMRAEVLFVNTKEFTVRWGTKQAINIPAAGMPGGMPIRANGTFNFKVQDYISLIDKIAGVKDQYFVEDIKT-RIISILDQLLMKWITREGKDMFNLQANAFDIAKGIQEDLDMQ-LISDGMTVTGFQIMSFNYPQEVQDMITKNASYGMVGDVNRYQQISMTDGMASGKMSGSGAASDMAGMMMGMNMANQMMNQMNQNQQAQSSGPQSTGSGSKPNFCPNCGTKTGEANFCPNCGQKLV 4GPA Chain:A ((157-253)) ----------------------------------------------------------------------------------------------------------------------GWHVSAICVENFNDVSYRQLLEELDRRQEKKFVIDCEIERLQNILEQ-----IVSVGK---HVKGYHYIIANLGFKDISLERFIHGGANVTGFQLVDFNTP-----MVTK-------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4GPA.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 : 291 -39315 -135.10 -413.84 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -135.10 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.301

(partial model without unconserved sides chains): PDB file : Tito_4GPA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4GPA-query.scw PDB file : Tito_Scwrl_4GPA.pdb: