| Spatial label | Dihedral label | Number of Chains | Percent | Representative |
|---|
| Group | Gene | SwissprotID | PDB | UniprotID | First_obs_res | Last_obs_res | Length_Unp | Ligand | Ligand_type | Activity_label | Spatial_label | Phe_Glu4_dis | Phe_Lys_dis | Dihedral_label | XDFG φ,ψ |
DFG-Asp φ,ψ |
DFG-Phe φ,ψ |
DFG-Phe χ1,χ2 |
DFG-Gly φ,ψ |
ChelixSaltbr_label | Chelix_label | Lys_Glu_dis | Saltbr_label | LysNZ_GluOE_dis | HRD_label | His φ,ψ | Arg φ,ψ | SNC_label | SNCpymol_label | ActLoop_label | ActLoopNT_label | DFG6_XHRD_dis | ActLoopCT_label | APEtype | APEdihe_label | APEdist_label | APE10_dihe_label | APE10 φ,ψ | APE9_dihe_label | APE9 φ,ψ | APE8_dihe_label | APE8 φ,ψ | APE8_rotamer_label | APE8 χ1 | APE67_label | APE6 φ,ψ | APE7 φ,ψ | APE12_dist_label | APE12_DFG4_dis | APE11_dist_label | APE11_DFG4_dis | APE10_dist_label | APE10_DFG4_dis | APE9_dist_label | APE9_Arg_dis | Chain_mut | Chain_phos | Modified_aa | Method | Resolution | Rvalue | FreeRvalue | Chain_id | ChainLen | Ordered_residues | DomainBreak | ActLoopLength | ActLoopResolvedResidues | ActLoopDisorderedResidues | Kinase_domains_Unp | N_Kinase_domains_Unp | pdb | Kincore_name | hmm | Evalue | Score | hmmbeg | hmmend | hmmlen | XDFGnum | DFGnum | PHEnum | DFG4num | DFG6num | LYSnum | GLUnum | GLU4num | XHRDnum | ARGnum | HRDnum | HRDaspnum | aFaspnum | APEnum | APE6num | APE7num | APE8num | APE9num | APE10num | APE11num | APE12num | Hinge1num | Protein_name |
|---|
| Group | Gene | SwissprotID | PDB | UniprotID | First_obs_res | Last_obs_res | Length_Unp | Ligand | Ligand_type | Activity_label | Spatial_label | Phe_Glu4_dis | Phe_Lys_dis | Dihedral_label | XDFG φ,ψ |
DFG-Asp φ,ψ |
DFG-Phe φ,ψ |
DFG-Phe χ1,χ2 |
DFG-Gly φ,ψ |
ChelixSaltbr_label | Chelix_label | Lys_Glu_dis | Saltbr_label | LysNZ_GluOE_dis | HRD_label | His φ,ψ | Arg φ,ψ | SNC_label | SNCpymol_label | ActLoop_label | ActLoopNT_label | DFG6_XHRD_dis | ActLoopCT_label | APEtype | APEdihe_label | APEdist_label | APE10_dihe_label | APE10 φ,ψ | APE9_dihe_label | APE9 φ,ψ | APE8_dihe_label | APE8 φ,ψ | APE8_rotamer_label | APE8 χ1 | APE67_label | APE6 φ,ψ | APE7 φ,ψ | APE12_dist_label | APE12_DFG4_dis | APE11_dist_label | APE11_DFG4_dis | APE10_dist_label | APE10_DFG4_dis | APE9_dist_label | APE9_Arg_dis | Chain_mut | Chain_phos | Modified_aa | Method | Resolution | Rvalue | FreeRvalue | Chain_id | ChainLen | Ordered_residues | DomainBreak | ActLoopLength | ActLoopResolvedResidues | ActLoopDisorderedResidues | Kinase_domains_Unp | N_Kinase_domains_Unp | pdb | Species | Kincore_name | hmm | Evalue | Score | hmmbeg | hmmend | hmmlen | XDFGnum | DFGnum | PHEnum | DFG4num | DFG6num | LYSnum | GLUnum | GLU4num | XHRDnum | ARGnum | HRDnum | HRDaspnum | aFaspnum | APEnum | APE6num | APE7num | APE8num | APE9num | APE10num | APE11num | APE12num | Hinge1num | Protein_name |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CMGC | GSK3B | A0A125YY75_TOXGG | 9HW6A | A0A125YY75 | 46 | 384 | 394.0 | A1IYF:60401 | Type1 | Inactive | DFGin | 6.5538 | 13.5143 | BLAminus | -159.29, -172.81 | 63.26, 75.9 | -98.23, 18.12 | 289.64, 83.03 | -60.9, -17.5 | in-in | in | 8.2475 | Saltbr-in | 2.9128 | HRD-in | -74.22, -42.3 | 70.91, -2.75 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7786 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_niio | APE10-dihe-na | -107.29, 145.01 | APE9-dihe-na | -102.07, 19.34 | APE8-dihe-in | -80.82, 138.15 | APE8-rot-out | 53.99 | APE67-dihe-in | -80.29, -18.75 | -104.8, -54.34 | APE12-dist-none | 999.0 | APE11-dist-in | 10.1113 | APE10-dist-in | 7.183 | APE9-dist-out | 8.8047 | None | PTR211,SEP257 | PTR211,SEP257 | XRAY | 2.9 | 0.207 | 0.26 | A | 373.0 | 332.0 | 7 | 27 | 24 | 3 | [[47, 344]] | 1.0 | 9hw6 | Toxoplasma gondii | CMGC_GSK3B_TOXGG | CMGC | 8e-71 | 244.6 | 1.0 | 301.0 | 301.0 | 194 | 195 | 196 | 198 | 200 | 76 | 88 | 92 | 173 | 175 | 174 | 176.0 | 234 | 221 | 216 | 215 | 214 | 213 | 212 | 211 | 210 | 128 | Putative cell-cycle-associated protein kinase GSK |
| CMGC | GSK3B | A0A125YY75_TOXGG | 9HW6B | A0A125YY75 | 46 | 384 | 394.0 | A1IYF:60402 | Type1 | Inactive | DFGin | 6.9687 | 13.759 | BLAminus | -158.71, -175.52 | 61.04, 75.48 | -97.8, 20.68 | 289.3, 83.48 | -61.51, -18.44 | in-in | in | 8.3397 | Saltbr-in | 2.533 | HRD-in | -73.25, -38.58 | 70.21, -4.6 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9566 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnio | APE10-dihe-na | 999.0, 137.93 | APE9-dihe-na | -128.88, -94.97 | APE8-dihe-out | 8.76, 102.73 | APE8-rot-out | 52.93 | APE67-dihe-in | -72.89, -15.66 | -99.47, -15.26 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-in | 6.6732 | APE9-dist-out | 7.8742 | None | PTR211 | PTR211 | XRAY | 2.9 | 0.207 | 0.26 | B | 373.0 | 332.0 | 7 | 27 | 21 | 6 | [[47, 344]] | 1.0 | 9hw6 | Toxoplasma gondii | CMGC_GSK3B_TOXGG | CMGC | 8e-71 | 244.6 | 1.0 | 301.0 | 301.0 | 194 | 195 | 196 | 198 | 200 | 76 | 88 | 92 | 173 | 175 | 174 | 176.0 | 234 | 221 | 216 | 215 | 214 | 213 | 212 | 211 | 210 | 128 | Putative cell-cycle-associated protein kinase GSK |
| CMGC | GSK3B | A0A125YY75_TOXGG | 9HW6D | A0A125YY75 | 46 | 384 | 394.0 | A1IYF:60402 | Type1 | Inactive | DFGin | 6.7524 | 13.5451 | BLAminus | -157.98, -176.25 | 63.15, 72.4 | -94.88, 18.71 | 288.21, 86.06 | -60.77, -17.66 | in-in | in | 8.448 | Saltbr-in | 3.0006 | HRD-in | -74.85, -41.94 | 71.3, -1.92 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8531 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_nnio | APE10-dihe-na | 999.0, -28.71 | APE9-dihe-na | 70.23, 60.42 | APE8-dihe-out | -136.17, -56.82 | APE8-rot-out | 132.32 | APE67-dihe-out | -77.45, -28.23 | 69.46, -39.41 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-in | 7.0768 | APE9-dist-out | 8.5822 | None | PTR211,SEP257 | PTR211,SEP257 | XRAY | 2.9 | 0.207 | 0.26 | D | 373.0 | 327.0 | 12 | 27 | 18 | 9 | [[47, 344]] | 1.0 | 9hw6 | Toxoplasma gondii | CMGC_GSK3B_TOXGG | CMGC | 8e-71 | 244.6 | 1.0 | 301.0 | 301.0 | 194 | 195 | 196 | 198 | 200 | 76 | 88 | 92 | 173 | 175 | 174 | 176.0 | 234 | 221 | 216 | 215 | 214 | 213 | 212 | 211 | 210 | 128 | Putative cell-cycle-associated protein kinase GSK |
| CMGC | GSK3B | A0A125YY75_TOXGG | 9HW6F | A0A125YY75 | 46 | 384 | 394.0 | A1IYF:60401 | Type1 | Inactive | DFGin | 6.9801 | 13.8202 | BLAminus | -156.62, -174.56 | 59.51, 71.39 | -97.24, 16.48 | 288.27, 84.06 | -60.16, -18.79 | in-in | in | 8.206 | Saltbr-in | 2.7353 | HRD-in | -76.38, -41.74 | 71.66, -4.7 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.744 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_niio | APE10-dihe-na | -146.52, 154.45 | APE9-dihe-na | -92.11, 49.24 | APE8-dihe-in | -83.14, 134.37 | APE8-rot-out | 54.49 | APE67-dihe-in | -77.45, -15.85 | -109.34, -69.31 | APE12-dist-none | 999.0 | APE11-dist-in | 9.9364 | APE10-dist-in | 6.6737 | APE9-dist-out | 9.0418 | None | PTR211 | PTR211 | XRAY | 2.9 | 0.207 | 0.26 | F | 373.0 | 325.0 | 14 | 27 | 21 | 6 | [[47, 344]] | 1.0 | 9hw6 | Toxoplasma gondii | CMGC_GSK3B_TOXGG | CMGC | 8e-71 | 244.6 | 1.0 | 301.0 | 301.0 | 194 | 195 | 196 | 198 | 200 | 76 | 88 | 92 | 173 | 175 | 174 | 176.0 | 234 | 221 | 216 | 215 | 214 | 213 | 212 | 211 | 210 | 128 | Putative cell-cycle-associated protein kinase GSK |
| Group | Gene | SwissprotID | PDB | UniprotID | First_obs_res | Last_obs_res | Length_Unp | Ligand | Ligand_type | Activity_label | Spatial_label | Phe_Glu4_dis | Phe_Lys_dis | Dihedral_label | XDFG φ,ψ |
DFG-Asp φ,ψ |
DFG-Phe φ,ψ |
DFG-Phe χ1,χ2 |
DFG-Gly φ,ψ |
ChelixSaltbr_label | Chelix_label | Lys_Glu_dis | Saltbr_label | LysNZ_GluOE_dis | HRD_label | His φ,ψ | Arg φ,ψ | SNC_label | SNCpymol_label | ActLoop_label | ActLoopNT_label | DFG6_XHRD_dis | ActLoopCT_label | APEtype | APEdihe_label | APEdist_label | APE10_dihe_label | APE10 φ,ψ | APE9_dihe_label | APE9 φ,ψ | APE8_dihe_label | APE8 φ,ψ | APE8_rotamer_label | APE8 χ1 | APE67_label | APE6 φ,ψ | APE7 φ,ψ | APE12_dist_label | APE12_DFG4_dis | APE11_dist_label | APE11_DFG4_dis | APE10_dist_label | APE10_DFG4_dis | APE9_dist_label | APE9_Arg_dis | Chain_mut | Chain_phos | Modified_aa | Method | Resolution | Rvalue | FreeRvalue | Chain_id | ChainLen | Ordered_residues | DomainBreak | ActLoopLength | ActLoopResolvedResidues | ActLoopDisorderedResidues | Kinase_domains_Unp | N_Kinase_domains_Unp | pdb | Species | Kincore_name | hmm | Evalue | Score | hmmbeg | hmmend | hmmlen | XDFGnum | DFGnum | PHEnum | DFG4num | DFG6num | LYSnum | GLUnum | GLU4num | XHRDnum | ARGnum | HRDnum | HRDaspnum | aFaspnum | APEnum | APE6num | APE7num | APE8num | APE9num | APE10num | APE11num | APE12num | Hinge1num | Protein_name |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CMGC | GSK3B | A0A125YY75_TOXGG | 9HW6A | A0A125YY75 | 46 | 384 | 394.0 | A1IYF:60401 | Type1 | Inactive | DFGin | 6.5538 | 13.5143 | BLAminus | -159.29, -172.81 | 63.26, 75.9 | -98.23, 18.12 | 289.64, 83.03 | -60.9, -17.5 | in-in | in | 8.2475 | Saltbr-in | 2.9128 | HRD-in | -74.22, -42.3 | 70.91, -2.75 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7786 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_niio | APE10-dihe-na | -107.29, 145.01 | APE9-dihe-na | -102.07, 19.34 | APE8-dihe-in | -80.82, 138.15 | APE8-rot-out | 53.99 | APE67-dihe-in | -80.29, -18.75 | -104.8, -54.34 | APE12-dist-none | 999.0 | APE11-dist-in | 10.1113 | APE10-dist-in | 7.183 | APE9-dist-out | 8.8047 | None | PTR211,SEP257 | PTR211,SEP257 | XRAY | 2.9 | 0.207 | 0.26 | A | 373.0 | 332.0 | 7 | 27 | 24 | 3 | [[47, 344]] | 1.0 | 9hw6 | Toxoplasma gondii | CMGC_GSK3B_TOXGG | CMGC | 8e-71 | 244.6 | 1.0 | 301.0 | 301.0 | 194 | 195 | 196 | 198 | 200 | 76 | 88 | 92 | 173 | 175 | 174 | 176.0 | 234 | 221 | 216 | 215 | 214 | 213 | 212 | 211 | 210 | 128 | Putative cell-cycle-associated protein kinase GSK |
| CMGC | GSK3B | A0A125YY75_TOXGG | 9HW6B | A0A125YY75 | 46 | 384 | 394.0 | A1IYF:60402 | Type1 | Inactive | DFGin | 6.9687 | 13.759 | BLAminus | -158.71, -175.52 | 61.04, 75.48 | -97.8, 20.68 | 289.3, 83.48 | -61.51, -18.44 | in-in | in | 8.3397 | Saltbr-in | 2.533 | HRD-in | -73.25, -38.58 | 70.21, -4.6 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9566 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnio | APE10-dihe-na | 999.0, 137.93 | APE9-dihe-na | -128.88, -94.97 | APE8-dihe-out | 8.76, 102.73 | APE8-rot-out | 52.93 | APE67-dihe-in | -72.89, -15.66 | -99.47, -15.26 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-in | 6.6732 | APE9-dist-out | 7.8742 | None | PTR211 | PTR211 | XRAY | 2.9 | 0.207 | 0.26 | B | 373.0 | 332.0 | 7 | 27 | 21 | 6 | [[47, 344]] | 1.0 | 9hw6 | Toxoplasma gondii | CMGC_GSK3B_TOXGG | CMGC | 8e-71 | 244.6 | 1.0 | 301.0 | 301.0 | 194 | 195 | 196 | 198 | 200 | 76 | 88 | 92 | 173 | 175 | 174 | 176.0 | 234 | 221 | 216 | 215 | 214 | 213 | 212 | 211 | 210 | 128 | Putative cell-cycle-associated protein kinase GSK |
| CMGC | GSK3B | A0A125YY75_TOXGG | 9HW6D | A0A125YY75 | 46 | 384 | 394.0 | A1IYF:60402 | Type1 | Inactive | DFGin | 6.7524 | 13.5451 | BLAminus | -157.98, -176.25 | 63.15, 72.4 | -94.88, 18.71 | 288.21, 86.06 | -60.77, -17.66 | in-in | in | 8.448 | Saltbr-in | 3.0006 | HRD-in | -74.85, -41.94 | 71.3, -1.92 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8531 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_nnio | APE10-dihe-na | 999.0, -28.71 | APE9-dihe-na | 70.23, 60.42 | APE8-dihe-out | -136.17, -56.82 | APE8-rot-out | 132.32 | APE67-dihe-out | -77.45, -28.23 | 69.46, -39.41 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-in | 7.0768 | APE9-dist-out | 8.5822 | None | PTR211,SEP257 | PTR211,SEP257 | XRAY | 2.9 | 0.207 | 0.26 | D | 373.0 | 327.0 | 12 | 27 | 18 | 9 | [[47, 344]] | 1.0 | 9hw6 | Toxoplasma gondii | CMGC_GSK3B_TOXGG | CMGC | 8e-71 | 244.6 | 1.0 | 301.0 | 301.0 | 194 | 195 | 196 | 198 | 200 | 76 | 88 | 92 | 173 | 175 | 174 | 176.0 | 234 | 221 | 216 | 215 | 214 | 213 | 212 | 211 | 210 | 128 | Putative cell-cycle-associated protein kinase GSK |
| CMGC | GSK3B | A0A125YY75_TOXGG | 9HW6F | A0A125YY75 | 46 | 384 | 394.0 | A1IYF:60401 | Type1 | Inactive | DFGin | 6.9801 | 13.8202 | BLAminus | -156.62, -174.56 | 59.51, 71.39 | -97.24, 16.48 | 288.27, 84.06 | -60.16, -18.79 | in-in | in | 8.206 | Saltbr-in | 2.7353 | HRD-in | -76.38, -41.74 | 71.66, -4.7 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.744 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_niio | APE10-dihe-na | -146.52, 154.45 | APE9-dihe-na | -92.11, 49.24 | APE8-dihe-in | -83.14, 134.37 | APE8-rot-out | 54.49 | APE67-dihe-in | -77.45, -15.85 | -109.34, -69.31 | APE12-dist-none | 999.0 | APE11-dist-in | 9.9364 | APE10-dist-in | 6.6737 | APE9-dist-out | 9.0418 | None | PTR211 | PTR211 | XRAY | 2.9 | 0.207 | 0.26 | F | 373.0 | 325.0 | 14 | 27 | 21 | 6 | [[47, 344]] | 1.0 | 9hw6 | Toxoplasma gondii | CMGC_GSK3B_TOXGG | CMGC | 8e-71 | 244.6 | 1.0 | 301.0 | 301.0 | 194 | 195 | 196 | 198 | 200 | 76 | 88 | 92 | 173 | 175 | 174 | 176.0 | 234 | 221 | 216 | 215 | 214 | 213 | 212 | 211 | 210 | 128 | Putative cell-cycle-associated protein kinase GSK |