| 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 | 4EUTA | Q9UHD2 | 2 | 385 | 729.0 | BX7:60401 | Type1 | Inactive | DFGin | 6.883 | 13.6385 | BLAminus | -159.22, -168.26 | 61.75, 57.03 | -82.72, 42.54 | 295.65, 82.26 | -64.31, -31.5 | in-in | in | 8.3155 | Saltbr-in | 2.3211 | HRD-in | -73.96, -54.83 | 84.2, -10.29 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0124 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -102.7, 129.45 | APE9-dihe-na | -58.48, -57.42 | APE8-dihe-in | -136.66, 145.1 | APE8-rot-out | 88.82 | APE67-dihe-in | -52.88, -19.91 | -92.7, -13.2 | APE12-dist-out | 30.1354 | APE11-dist-out | 24.0995 | APE10-dist-out | 26.5158 | APE9-dist-out | 32.4706 | D135N | None | None | XRAY | 2.6 | 0.216 | 0.257 | A | 396.0 | 382.0 | 2 | 27 | 27 | 0 | [[9, 625]] | 1.0 | 4eut | OTHER_TBK1_HUMAN | OTHER | 8.8e-42 | 149.5 | 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 | 4EUTB | Q9UHD2 | 2 | 385 | 729.0 | BX7:60401 | Type1 | Inactive | DFGin | 6.879 | 13.663 | BLAminus | -146.55, -168.94 | 58.32, 68.8 | -93.86, 31.15 | 285.43, 84.48 | -61.33, -33.63 | in-in | in | 8.4002 | Saltbr-in | 2.6222 | HRD-in | -76.77, -55.1 | 80.6, -8.11 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9838 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -97.14, 115.67 | APE9-dihe-na | -68.94, -54.62 | APE8-dihe-in | -115.7, 141.18 | APE8-rot-out | 64.24 | APE67-dihe-in | -58.71, -19.7 | -101.7, -8.42 | APE12-dist-out | 27.6564 | APE11-dist-out | 24.1267 | APE10-dist-out | 27.1275 | APE9-dist-out | 33.299 | D135N | None | None | XRAY | 2.6 | 0.216 | 0.257 | B | 396.0 | 377.0 | 7 | 27 | 27 | 0 | [[9, 625]] | 1.0 | 4eut | OTHER_TBK1_HUMAN | OTHER | 8.8e-42 | 149.5 | 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 | 4EUTA | Q9UHD2 | 2 | 385 | 729.0 | BX7:60401 | Type1 | Inactive | DFGin | 6.883 | 13.6385 | BLAminus | -159.22, -168.26 | 61.75, 57.03 | -82.72, 42.54 | 295.65, 82.26 | -64.31, -31.5 | in-in | in | 8.3155 | Saltbr-in | 2.3211 | HRD-in | -73.96, -54.83 | 84.2, -10.29 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0124 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -102.7, 129.45 | APE9-dihe-na | -58.48, -57.42 | APE8-dihe-in | -136.66, 145.1 | APE8-rot-out | 88.82 | APE67-dihe-in | -52.88, -19.91 | -92.7, -13.2 | APE12-dist-out | 30.1354 | APE11-dist-out | 24.0995 | APE10-dist-out | 26.5158 | APE9-dist-out | 32.4706 | D135N | None | None | XRAY | 2.6 | 0.216 | 0.257 | A | 396.0 | 382.0 | 2 | 27 | 27 | 0 | [[9, 625]] | 1.0 | 4eut | Homo sapiens | OTHER_TBK1_HUMAN | OTHER | 8.8e-42 | 149.5 | 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 | 4EUTB | Q9UHD2 | 2 | 385 | 729.0 | BX7:60401 | Type1 | Inactive | DFGin | 6.879 | 13.663 | BLAminus | -146.55, -168.94 | 58.32, 68.8 | -93.86, 31.15 | 285.43, 84.48 | -61.33, -33.63 | in-in | in | 8.4002 | Saltbr-in | 2.6222 | HRD-in | -76.77, -55.1 | 80.6, -8.11 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9838 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -97.14, 115.67 | APE9-dihe-na | -68.94, -54.62 | APE8-dihe-in | -115.7, 141.18 | APE8-rot-out | 64.24 | APE67-dihe-in | -58.71, -19.7 | -101.7, -8.42 | APE12-dist-out | 27.6564 | APE11-dist-out | 24.1267 | APE10-dist-out | 27.1275 | APE9-dist-out | 33.299 | D135N | None | None | XRAY | 2.6 | 0.216 | 0.257 | B | 396.0 | 377.0 | 7 | 27 | 27 | 0 | [[9, 625]] | 1.0 | 4eut | Homo sapiens | OTHER_TBK1_HUMAN | OTHER | 8.8e-42 | 149.5 | 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 |
|---|