Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLFENESMGFNHDEICATWNIPPLVSVQKPLTGTIHNVFLLTTREAKYVLRIYSYPP-EKRFRIVNEHAIARYVQSHH--LPAIAPLPISSGCETFLERDGHFYALYPFAQGEQLSRAM-LNSNQSHVGEIISAMGHSLAEVHLVLSSYCLPTTRPL-SLVVNREQTIAKIEELEIVIPAKEALDDLDQRVLSALRARKQYLLTASDVDVSELNALPWQPLHGDFQETNLFFSHGRVSAIIDWDQACSGPRAWEILRTLHYVFAL-DPSRCQRFLEAYQQVFPLPMEVLHLTAKVYTWVQLNNLWGWRSYYLDNNQSLRQLLSTSDSQPFTTRWAQLAKML 4DCA Chain:A ((25-278)) ------LDAEIYEHLNK--QI-KINELRYLSSGDDSDTFLC---NEQYVVKVPKRDSVRIS--QKRELELYRFLENCKLSYQIPAVVYQ-----------SDRFNIMKYIKGERITYEQYHKLSEKEKDALAYDEATFLKELHSIEIDCSVSLFSDALVNKK--DKFLQDKKLLISILEKEQ---LLTDEMLEHIETIYEN-ILSN----AVLFKYTPCLVHNDFSANNMIFRNNRLFGVIDFGDFNVGDPDNDFLCLLDCSTDDFGKEFGRKVLKYYQHKAPEVAERK----------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4DCA.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 : 996 -30414 -30.54 -122.64 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -30.54 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.345

(partial model without unconserved sides chains): PDB file : Tito_4DCA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4dca-query.scw PDB file : Tito_Scwrl_4DCA.pdb: