Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTNFILNENKQLSLAIEDENIENFYIDGTDLVRKIIRRSGSGVTSRVPVLSTQDLENKNLHELYDESWLRMKNRPNTELTTESINIADLFSGCGGLSLGVWEACRALGINPRFSFACDLNEAALSVYEKNFSPDFSLNESIEKHINGELGAPLTVEEQRIKDKVKKIDFILAGPPCQGHSDLNNHTRRKDPRNALLMRVSRVIELFQPSSVLVENVPGII-HDKSGSFKEFKNHLKTQGYYFDEIVLNAEKLGVSQARRRYFIFASKTPVSSLNQINEFYSTNSRPISWAISDLVENVGDDIFNTASEHSLENKRRIEYLFENNLFELPNSERPDCHRLKPHSYKSVYGRMYWDRPAPTITRGFGS---TGQGRFVHSLLKRTITPHEAARIQFFPDFFNFGDLRRRQYQDVIGNAVPSKLSYLLALHQLR 2C7O Chain:A ((16-314)) ---------------------------------------------------------------------------------------DLFAGLGGFRLAL-ESCGAECV-----YSNEWDKYAQEVYEMNFG------EKPEGDIT-------QVNEKTIPDH----DILCAGFPCQAFSISGKQKGFEDSRGTLFFDIARIVREKKPKVVFMENVKNFASHDNGNTLEVVKNTMNELDYSFHAKVLNALDYGIPQKRERIYMICFRNDLN----IQNFQFPKPFELNTFVKDLL------LPDSEVEHLVIDRKDL--VMTNQEIE---QTTPKTVRLGIVGKGGQGERIYSTRGIAITLSAYGGGIFAKTGGYLVNGKTRKLHPRECARVMGYPDSYKVHPSTSQAYKQFGNSVVINVLQYI-------

General information: TITO was launched using: RESULT: Template: 2C7O.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 : 1634 -111635 -68.32 -378.42 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -68.32 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.328

(partial model without unconserved sides chains): PDB file : Tito_2C7O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2C7O-query.scw PDB file : Tito_Scwrl_2C7O.pdb: