Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKVVKFGGSSLASGAQLDKVFHIVTSD---PARKAVVVSAPGKHYAEDTKVTDLLIACAEQYLATGSAPELAEAVVERYALIANELQLGQSIIEKIRDDLFTLLEGDKSNPEQYLDAVKASGEDNNAKLIAAYFRYKGVKAEYVNPKDAGLFVTNEP----G-NAQVLPESYQNLYRLRERDGLIIFPGFFGFSKDGDVITFSRSGSDITGSILANGLQADLYENFTDVDAVYSVNPSFVENPKEISELTYREMRELSYA-----GFSVFHDEALIPAFRAGIPVQIKNTNNPSAEGTRVVSKRDNTNGPVVGIASDTGFCSIYISKYLMNREIGFGRRALQILEEHGLTYEHVPSGIDDMTIILRQGQMDAATERSVIKRIEEDLHADEVIVEHHLALIMVVGEAMRHNVGTTARAAKALSEAQVNIEMINQGSSEVSMMFGVKEAEERKAVQALYQEFFAGVLIS 1GS5 Chain:A ((4-241)) PLIIKLGGVLLDSEEALERLFSALVNYRESHQRPLVIVHGGG-------CVVDELMKGLNLPVKK------KNG--------------------------------LRVTPADQIDIITGALAGTANKTLLAWAKKHQIAAVGLFLGDGDSVKVTQLDEELGHVGLAQPGSPKLINSLLENGYLPVVSS-IGVTDEGQLMNV---NADQAATALAATLGAD-LILLSDVSGILDGKGQ------RIAEMTAAKAEQLIEQGIITDGMIVKVNAALDAARTLGRPVDIASWRHAE-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1GS5.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 : 1201 -124249 -103.45 -552.22 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -103.45 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.414

(partial model without unconserved sides chains): PDB file : Tito_1GS5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1GS5-query.scw PDB file : Tito_Scwrl_1GS5.pdb: