Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGGMALTGNKAVVYKGKGTVAVEDIGYPELILRDGPGVPKANVNRKCEHGVILKVITTNICGSDQHM------VRGRTTAPEGLVLGHEITGEVIETGRDVEFIKKGDIVSVPFNIACGRCVMCKTQKTHVCLN---VNPDRPGSAYGYVDMGGWVGGQSEYVMVPYADFQLLVFPDKEQALEKILDLTMLSDIFPTGFHGAYTAGVQTGSTVYIAGAGPVGLAAAHSAQLLGASTVIVGDLNEDRLAQARSFGCETVNVQKHDRLGEQIEQILGEPTVDAAVDCVGFEASGHGNQGEAPAAVLNSIMDVTQVGGSLGIPGLYVTEDPGAKDADAKTGSLKIRFGLGWAKAHTFVTGQTPAMTYNRNLMKAILSGRAQIAKAVNATVISLDDAPKGYSDFDKGAAKKFVIDPHGTLK 2DQ4 Chain:A ((28-246)) --------------------------------------------------ILVRVEAASICGTDLHIWKWDAWARGRIRPP--LVTGHEFSGVVEAVGPGVRRPQVGDHVSLESHIVCHACPACRTGNYHVCLNTQILGVDRDG-------------GFAEYVVVPAENAWV-------NPKDLPFEVAAILEPFGNAVHTVYAGSGVSGKSVLITGAGPIGLMAAMVVRASGAGPILVSDPNPYRLAFARPYADRLVNPLEEDLL-EVVRRVTGS-GVEVLLEFSGNEAAIH----------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2DQ4.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 : 1011 -43989 -43.51 -209.47 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -43.51 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.389

(partial model without unconserved sides chains): PDB file : Tito_2DQ4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DQ4-query.scw PDB file : Tito_Scwrl_2DQ4.pdb: