Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTAANQETILELRDVKKYFPIRSGLFQRKVGDVKAVDGVSFSLKKGETLGIVGESGCGKSTAGRTMIRLYKPTEGQILFKGQDISNLSEEKLRKSV----RKNIQM--VFQDPFASLNPRKTLRSIIKEPFNTHNMYTMRERNEKVEELLARVGLHPSFAGRYPHEFSGGQRQRIGIARALTLNPELIIADEPVSALDVSIQAQVINLMEELQEEFNLTYLFISHDLSVVRHISDRVGVMYLGKMMELTGKH-ELYDNP--LHPYTQALLSSVPVTRKRGSVKRERIVLKGELPSPANPPKGCVFHTRCPVAKPICKEQIPEFKEAAPSHFVACHLYS 3B5J Chain:A ((21-243)) -----------------------------------LDNINLSIKQGEVIGIVGRAGSGKSTLTKLIQRFYIPENGQVLIDGHDLALADPNWLRRQVGVVLQDNVLLNRSIIDNISLANPGMSVEKVIYAA-------KLAGAHDFISEL--REG-YNTIVGEQGAGLSGGQRQRIAIARALVNNPKILIFDEATSALDYESEHVIMRNMHKICK--GRTVIIIAHRLSTVKN-ADRIIVMEKGKIVE-QGKHKELLSEPESLYSYLYQLQSD------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3B5J.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 : 998 -114716 -114.95 -536.06 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -114.95 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.439

(partial model without unconserved sides chains): PDB file : Tito_3B5J.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3B5J-query.scw PDB file : Tito_Scwrl_3B5J.pdb: