| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| OTHER | TBK1 | TBK1_HUMAN | AF-Q9UHD2-K1A | Q9UHD2 | 1 | 312 | 729.0 | No_ligand | No_ligand | Active | DFGin | 6.6538 | 13.4019 | BLAminus | -145.8, -179.86 | 63.12, 63.14 | -77.27, 21.02 | 292.76, 88.61 | -65.9, -20.29 | in-in | in | 8.2567 | Saltbr-in | 2.6663 | HRD-in | -86.22, -47.46 | 65.44, 13.23 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9904 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -145.55, 170.9 | APE9-dihe-na | 109.64, -177.4 | APE8-dihe-in | -118.49, 130.33 | APE8-rot-in | 298.73 | APE67-dihe-in | -67.41, -24.44 | -48.1, -41.5 | APE12-dist-in | 8.7906 | APE11-dist-in | 10.2035 | APE10-dist-in | 4.7406 | APE9-dist-in | 3.3029 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 312.0 | 312.0 | 0 | 27 | 27 | 0 | [[9, 625]] | 1.0 | AF-Q9UHD2-K1 | OTHER_TBK1_HUMAN | OTHER | 1.1e-42 | 152.3 | 2.0 | 255.0 | 254.0 | 156 | 157 | 158 | 160 | 162 | 38 | 55 | 59 | 132 | 134 | 133 | 135.0 | 203 | 183 | 178 | 177 | 176 | 175 | 174 | 173 | 172 | 87 | Serine/threonine-protein kinase TBK1 |
| OTHER | TBK1 | TBK1_HUMAN | AF-Q9UHD2-K3A | Q9UHD2 | 1 | 312 | 729.0 | No_ligand | No_ligand | Active | DFGin | 6.6663 | 13.7946 | BLAminus | -151.45, -178.88 | 59.62, 56.99 | -72.06, 16.9 | 300.55, 97.86 | -61.54, -19.32 | in-in | in | 8.8989 | Saltbr-in | 2.6853 | HRD-in | -76.53, -46.15 | 69.07, 11.21 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8733 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -147.7, 146.22 | APE9-dihe-na | 139.4, -179.78 | APE8-dihe-in | -102.91, 129.56 | APE8-rot-in | 302.96 | APE67-dihe-in | -67.92, -20.52 | -48.15, -40.83 | APE12-dist-in | 8.8398 | APE11-dist-in | 10.7577 | APE10-dist-in | 5.0929 | APE9-dist-in | 3.9236 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 312.0 | 312.0 | 0 | 27 | 27 | 0 | [[9, 625]] | 1.0 | AF-Q9UHD2-K3 | OTHER_TBK1_HUMAN | OTHER | 1.1e-42 | 152.3 | 2.0 | 255.0 | 254.0 | 156 | 157 | 158 | 160 | 162 | 38 | 55 | 59 | 132 | 134 | 133 | 135.0 | 203 | 183 | 178 | 177 | 176 | 175 | 174 | 173 | 172 | 87 | Serine/threonine-protein kinase TBK1 |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| OTHER | TBK1 | TBK1_HUMAN | AF-Q9UHD2-K1A | Q9UHD2 | 1 | 312 | 729.0 | No_ligand | No_ligand | Active | DFGin | 6.6538 | 13.4019 | BLAminus | -145.8, -179.86 | 63.12, 63.14 | -77.27, 21.02 | 292.76, 88.61 | -65.9, -20.29 | in-in | in | 8.2567 | Saltbr-in | 2.6663 | HRD-in | -86.22, -47.46 | 65.44, 13.23 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9904 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -145.55, 170.9 | APE9-dihe-na | 109.64, -177.4 | APE8-dihe-in | -118.49, 130.33 | APE8-rot-in | 298.73 | APE67-dihe-in | -67.41, -24.44 | -48.1, -41.5 | APE12-dist-in | 8.7906 | APE11-dist-in | 10.2035 | APE10-dist-in | 4.7406 | APE9-dist-in | 3.3029 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 312.0 | 312.0 | 0 | 27 | 27 | 0 | [[9, 625]] | 1.0 | AF-Q9UHD2-K1 | Homo sapiens | OTHER_TBK1_HUMAN | OTHER | 1.1e-42 | 152.3 | 2.0 | 255.0 | 254.0 | 156 | 157 | 158 | 160 | 162 | 38 | 55 | 59 | 132 | 134 | 133 | 135.0 | 203 | 183 | 178 | 177 | 176 | 175 | 174 | 173 | 172 | 87 | Serine/threonine-protein kinase TBK1 |
| OTHER | TBK1 | TBK1_HUMAN | AF-Q9UHD2-K3A | Q9UHD2 | 1 | 312 | 729.0 | No_ligand | No_ligand | Active | DFGin | 6.6663 | 13.7946 | BLAminus | -151.45, -178.88 | 59.62, 56.99 | -72.06, 16.9 | 300.55, 97.86 | -61.54, -19.32 | in-in | in | 8.8989 | Saltbr-in | 2.6853 | HRD-in | -76.53, -46.15 | 69.07, 11.21 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8733 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -147.7, 146.22 | APE9-dihe-na | 139.4, -179.78 | APE8-dihe-in | -102.91, 129.56 | APE8-rot-in | 302.96 | APE67-dihe-in | -67.92, -20.52 | -48.15, -40.83 | APE12-dist-in | 8.8398 | APE11-dist-in | 10.7577 | APE10-dist-in | 5.0929 | APE9-dist-in | 3.9236 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 312.0 | 312.0 | 0 | 27 | 27 | 0 | [[9, 625]] | 1.0 | AF-Q9UHD2-K3 | Homo sapiens | OTHER_TBK1_HUMAN | OTHER | 1.1e-42 | 152.3 | 2.0 | 255.0 | 254.0 | 156 | 157 | 158 | 160 | 162 | 38 | 55 | 59 | 132 | 134 | 133 | 135.0 | 203 | 183 | 178 | 177 | 176 | 175 | 174 | 173 | 172 | 87 | Serine/threonine-protein kinase TBK1 |
| 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 |
|---|