| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CMGC | GSK3A | GSK3A_HUMAN | AF-P49840-K1A | P49840 | 111 | 411 | 483.0 | No_ligand | No_ligand | Active | DFGin | 6.8165 | 14.155 | BLAminus | -136.34, 177.0 | 63.33, 69.3 | -82.21, 17.19 | 286.03, 79.28 | -59.05, -35.54 | in-in | in | 8.3672 | Saltbr-in | 2.6898 | HRD-in | -73.78, -43.15 | 63.43, 18.79 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8884 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -117.15, -176.83 | APE9-dihe-na | 58.82, 147.58 | APE8-dihe-in | -68.7, 143.88 | APE8-rot-in | 298.4 | APE67-dihe-in | -62.38, -10.59 | -47.35, -61.1 | APE12-dist-in | 13.0866 | APE11-dist-in | 11.3808 | APE10-dist-in | 6.4385 | APE9-dist-in | 3.2685 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 301.0 | 301.0 | 0 | 27 | 27 | 0 | [[119, 403]] | 1.0 | AF-P49840-K1 | CMGC_GSK3A_HUMAN | CMGC | 1.8e-71 | 246.9 | 1.0 | 301.0 | 301.0 | 262 | 263 | 264 | 266 | 268 | 148 | 160 | 164 | 241 | 243 | 242 | 244.0 | 302 | 289 | 284 | 283 | 282 | 281 | 280 | 279 | 278 | 196 | Glycogen synthase kinase-3 alpha |
| CMGC | GSK3A | GSK3A_HUMAN | AF-P49840-K3A | P49840 | 111 | 411 | 483.0 | No_ligand | No_ligand | Active | DFGin | 6.4155 | 13.9347 | BLAminus | -135.7, -179.24 | 65.02, 58.96 | -72.97, 11.86 | 288.95, 87.58 | -59.3, -33.59 | in-in | in | 8.3631 | Saltbr-in | 2.7225 | HRD-in | -76.83, -42.45 | 66.04, 16.17 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9313 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -137.09, 176.26 | APE9-dihe-na | 65.16, 143.39 | APE8-dihe-in | -63.93, 134.82 | APE8-rot-in | 295.56 | APE67-dihe-in | -64.29, -15.04 | -51.07, -50.55 | APE12-dist-in | 13.4276 | APE11-dist-in | 11.9964 | APE10-dist-in | 7.0016 | APE9-dist-in | 3.0975 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 301.0 | 301.0 | 0 | 27 | 27 | 0 | [[119, 403]] | 1.0 | AF-P49840-K3 | CMGC_GSK3A_HUMAN | CMGC | 1.8e-71 | 246.9 | 1.0 | 301.0 | 301.0 | 262 | 263 | 264 | 266 | 268 | 148 | 160 | 164 | 241 | 243 | 242 | 244.0 | 302 | 289 | 284 | 283 | 282 | 281 | 280 | 279 | 278 | 196 | Glycogen synthase kinase-3 alpha |
| 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 | GSK3A | GSK3A_HUMAN | AF-P49840-K1A | P49840 | 111 | 411 | 483.0 | No_ligand | No_ligand | Active | DFGin | 6.8165 | 14.155 | BLAminus | -136.34, 177.0 | 63.33, 69.3 | -82.21, 17.19 | 286.03, 79.28 | -59.05, -35.54 | in-in | in | 8.3672 | Saltbr-in | 2.6898 | HRD-in | -73.78, -43.15 | 63.43, 18.79 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8884 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -117.15, -176.83 | APE9-dihe-na | 58.82, 147.58 | APE8-dihe-in | -68.7, 143.88 | APE8-rot-in | 298.4 | APE67-dihe-in | -62.38, -10.59 | -47.35, -61.1 | APE12-dist-in | 13.0866 | APE11-dist-in | 11.3808 | APE10-dist-in | 6.4385 | APE9-dist-in | 3.2685 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 301.0 | 301.0 | 0 | 27 | 27 | 0 | [[119, 403]] | 1.0 | AF-P49840-K1 | Homo sapiens | CMGC_GSK3A_HUMAN | CMGC | 1.8e-71 | 246.9 | 1.0 | 301.0 | 301.0 | 262 | 263 | 264 | 266 | 268 | 148 | 160 | 164 | 241 | 243 | 242 | 244.0 | 302 | 289 | 284 | 283 | 282 | 281 | 280 | 279 | 278 | 196 | Glycogen synthase kinase-3 alpha |
| CMGC | GSK3A | GSK3A_HUMAN | AF-P49840-K3A | P49840 | 111 | 411 | 483.0 | No_ligand | No_ligand | Active | DFGin | 6.4155 | 13.9347 | BLAminus | -135.7, -179.24 | 65.02, 58.96 | -72.97, 11.86 | 288.95, 87.58 | -59.3, -33.59 | in-in | in | 8.3631 | Saltbr-in | 2.7225 | HRD-in | -76.83, -42.45 | 66.04, 16.17 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9313 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -137.09, 176.26 | APE9-dihe-na | 65.16, 143.39 | APE8-dihe-in | -63.93, 134.82 | APE8-rot-in | 295.56 | APE67-dihe-in | -64.29, -15.04 | -51.07, -50.55 | APE12-dist-in | 13.4276 | APE11-dist-in | 11.9964 | APE10-dist-in | 7.0016 | APE9-dist-in | 3.0975 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 301.0 | 301.0 | 0 | 27 | 27 | 0 | [[119, 403]] | 1.0 | AF-P49840-K3 | Homo sapiens | CMGC_GSK3A_HUMAN | CMGC | 1.8e-71 | 246.9 | 1.0 | 301.0 | 301.0 | 262 | 263 | 264 | 266 | 268 | 148 | 160 | 164 | 241 | 243 | 242 | 244.0 | 302 | 289 | 284 | 283 | 282 | 281 | 280 | 279 | 278 | 196 | Glycogen synthase kinase-3 alpha |
| 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 | 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 |
|---|