| 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 | 6O8BA | Q9UHD2 | 2 | 656 | 729.0 | BX7:60701 | Type1 | Inactive | DFGin | 8.0243 | 14.1565 | BLAminus | -167.16, -174.99 | 52.37, 56.07 | -72.25, 60.65 | 314.15, 135.49 | -69.84, -26.09 | out-out | out | 13.1961 | Saltbr-out | 9.426 | HRD-in | -76.99, -64.92 | 59.52, 19.15 | out-in-out | SNCoio | in-out | ActLoopNT-in | 3.4144 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oiii | APE10-dihe-na | -154.01, 141.29 | APE9-dihe-na | 147.45, -177.44 | APE8-dihe-in | -109.41, 155.1 | APE8-rot-out | 222.95 | APE67-dihe-in | -65.05, -44.47 | -68.41, -46.7 | APE12-dist-out | 6.4072 | APE11-dist-in | 8.8272 | APE10-dist-in | 4.0767 | APE9-dist-in | 4.8439 | D135N,S172E | None | None | XRAY | 3.4 | 0.244 | 0.258 | A | 665.0 | 649.0 | 0 | 27 | 27 | 0 | [[9, 625]] | 1.0 | 6o8b | OTHER_TBK1_HUMAN | OTHER | 3.3e-41 | 147.9 | 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 | 6O8BB | Q9UHD2 | 2 | 654 | 729.0 | BX7:60701 | Type1 | Inactive | DFGin | 6.2451 | 13.8364 | BLAminus | -162.79, -160.44 | 49.62, 61.03 | -82.51, 26.39 | 298.43, 91.64 | -59.15, -28.42 | in-in | in | 8.9392 | Saltbr-in | 2.3353 | HRD-out | -92.45, 101.87 | -91.5, 28.16 | in-out-in | SNCioi | out-in | ActLoopNT-out | 3.7179 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -151.24, 162.25 | APE9-dihe-na | 143.39, -172.96 | APE8-dihe-in | -120.34, 144.55 | APE8-rot-in | 302.76 | APE67-dihe-in | -62.83, -22.71 | -55.27, -66.45 | APE12-dist-in | 8.8313 | APE11-dist-in | 9.6168 | APE10-dist-in | 4.3327 | APE9-dist-in | 4.2381 | D135N,S172E | None | None | XRAY | 3.4 | 0.244 | 0.258 | B | 665.0 | 653.0 | 0 | 27 | 27 | 0 | [[9, 625]] | 1.0 | 6o8b | OTHER_TBK1_HUMAN | OTHER | 3.3e-41 | 147.9 | 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 | 6O8BA | Q9UHD2 | 2 | 656 | 729.0 | BX7:60701 | Type1 | Inactive | DFGin | 8.0243 | 14.1565 | BLAminus | -167.16, -174.99 | 52.37, 56.07 | -72.25, 60.65 | 314.15, 135.49 | -69.84, -26.09 | out-out | out | 13.1961 | Saltbr-out | 9.426 | HRD-in | -76.99, -64.92 | 59.52, 19.15 | out-in-out | SNCoio | in-out | ActLoopNT-in | 3.4144 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oiii | APE10-dihe-na | -154.01, 141.29 | APE9-dihe-na | 147.45, -177.44 | APE8-dihe-in | -109.41, 155.1 | APE8-rot-out | 222.95 | APE67-dihe-in | -65.05, -44.47 | -68.41, -46.7 | APE12-dist-out | 6.4072 | APE11-dist-in | 8.8272 | APE10-dist-in | 4.0767 | APE9-dist-in | 4.8439 | D135N,S172E | None | None | XRAY | 3.4 | 0.244 | 0.258 | A | 665.0 | 649.0 | 0 | 27 | 27 | 0 | [[9, 625]] | 1.0 | 6o8b | Homo sapiens | OTHER_TBK1_HUMAN | OTHER | 3.3e-41 | 147.9 | 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 | 6O8BB | Q9UHD2 | 2 | 654 | 729.0 | BX7:60701 | Type1 | Inactive | DFGin | 6.2451 | 13.8364 | BLAminus | -162.79, -160.44 | 49.62, 61.03 | -82.51, 26.39 | 298.43, 91.64 | -59.15, -28.42 | in-in | in | 8.9392 | Saltbr-in | 2.3353 | HRD-out | -92.45, 101.87 | -91.5, 28.16 | in-out-in | SNCioi | out-in | ActLoopNT-out | 3.7179 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -151.24, 162.25 | APE9-dihe-na | 143.39, -172.96 | APE8-dihe-in | -120.34, 144.55 | APE8-rot-in | 302.76 | APE67-dihe-in | -62.83, -22.71 | -55.27, -66.45 | APE12-dist-in | 8.8313 | APE11-dist-in | 9.6168 | APE10-dist-in | 4.3327 | APE9-dist-in | 4.2381 | D135N,S172E | None | None | XRAY | 3.4 | 0.244 | 0.258 | B | 665.0 | 653.0 | 0 | 27 | 27 | 0 | [[9, 625]] | 1.0 | 6o8b | Homo sapiens | OTHER_TBK1_HUMAN | OTHER | 3.3e-41 | 147.9 | 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 |
|---|