Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTAANQETILELRDVKKYFPIRSGLFQRKVGDVKAVDGVSFSLKKGETLGIVGESGCGKSTAGRTMIRLYKPTEGQILFKGQDISNLSEEKLRKSV----RKNIQM--VFQDPFASLNPRKTLRSIIKEPFNTHNMYTMRERNEKVEELLARVGLHPSFAGRYPHEFSGGQRQRIGIARALTLNPELIIADEPVSALDVSIQAQVINLMEELQEEFNLTYLFISHDLSVVRHISDRVGVMYLGKMMELTGKH-ELYDNP--LHPYTQALLSSVPVTRKRGSVKRERIVLKGELPSPANPPKGCVFHTRCPVAKPICKEQIPEFKEAAPSHFVACHLYS 2FGK Chain:B ((25-247)) -----------------------------------LDNINLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIPENGQVLIDGHDLALADPNWLRRQVGVVLQDNVLLNRSIIDNISLANPGMSVEKVIYAA-------KLAGAHDFISEL--REG-YNTIVGEQGAGLSGGQRQRIAIARALVNNPKILIFDQATSALDYESEHVIMRNMHKICK--GRTVIIIAHRLSTVKN-ADRIIVMEKGKIVE-QGKHKELLSEPESLYSYLYQLQSD------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2FGK.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 987 -101696 -103.04 -475.21 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : -103.04 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.422

(partial model without unconserved sides chains): PDB file : Tito_2FGK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2FGK-query.scw PDB file : Tito_Scwrl_2FGK.pdb: