| 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 | 4EUUA | Q9UHD2 | 2 | 307 | 729.0 | BX7:60401 | Type1 | Active | DFGin | 6.8845 | 13.708 | BLAminus | -149.45, -171.7 | 60.73, 75.15 | -94.29, 22.12 | 284.45, 84.57 | -56.95, -31.59 | in-in | in | 8.3503 | Saltbr-in | 2.7769 | HRD-in | -89.96, -55.24 | 75.16, 8.62 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.886 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -142.22, 171.79 | APE9-dihe-na | 116.46, -167.3 | APE8-dihe-in | -133.65, 129.66 | APE8-rot-in | 296.24 | APE67-dihe-in | -70.89, -19.14 | -44.3, -46.34 | APE12-dist-in | 9.0248 | APE11-dist-in | 10.1839 | APE10-dist-in | 4.8408 | APE9-dist-in | 3.4085 | D135N | SEP172 | SEP172 | XRAY | 1.8 | 0.17 | 0.194 | A | 319.0 | 306.0 | 0 | 27 | 27 | 0 | [[9, 625]] | 1.0 | 4euu | OTHER_TBK1_HUMAN | OTHER | 5.2e-42 | 150.0 | 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 | 4EUUB | Q9UHD2 | 2 | 307 | 729.0 | BX7:60401 | Type1 | Active | DFGin | 6.8537 | 13.5575 | BLAminus | -149.67, -169.25 | 59.25, 76.47 | -95.25, 24.67 | 286.86, 82.81 | -60.26, -24.9 | in-in | in | 8.3122 | Saltbr-in | 2.8231 | HRD-in | -94.27, -51.86 | 75.28, 11.95 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9146 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -151.26, 163.87 | APE9-dihe-na | 122.52, -168.66 | APE8-dihe-in | -132.25, 128.66 | APE8-rot-in | 296.78 | APE67-dihe-in | -66.29, -20.21 | -52.98, -41.57 | APE12-dist-in | 9.0946 | APE11-dist-in | 10.1274 | APE10-dist-in | 4.8127 | APE9-dist-in | 3.4217 | D135N | SEP172 | SEP172 | XRAY | 1.8 | 0.17 | 0.194 | B | 319.0 | 306.0 | 0 | 27 | 27 | 0 | [[9, 625]] | 1.0 | 4euu | OTHER_TBK1_HUMAN | OTHER | 5.2e-42 | 150.0 | 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 | 4EUUA | Q9UHD2 | 2 | 307 | 729.0 | BX7:60401 | Type1 | Active | DFGin | 6.8845 | 13.708 | BLAminus | -149.45, -171.7 | 60.73, 75.15 | -94.29, 22.12 | 284.45, 84.57 | -56.95, -31.59 | in-in | in | 8.3503 | Saltbr-in | 2.7769 | HRD-in | -89.96, -55.24 | 75.16, 8.62 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.886 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -142.22, 171.79 | APE9-dihe-na | 116.46, -167.3 | APE8-dihe-in | -133.65, 129.66 | APE8-rot-in | 296.24 | APE67-dihe-in | -70.89, -19.14 | -44.3, -46.34 | APE12-dist-in | 9.0248 | APE11-dist-in | 10.1839 | APE10-dist-in | 4.8408 | APE9-dist-in | 3.4085 | D135N | SEP172 | SEP172 | XRAY | 1.8 | 0.17 | 0.194 | A | 319.0 | 306.0 | 0 | 27 | 27 | 0 | [[9, 625]] | 1.0 | 4euu | Homo sapiens | OTHER_TBK1_HUMAN | OTHER | 5.2e-42 | 150.0 | 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 | 4EUUB | Q9UHD2 | 2 | 307 | 729.0 | BX7:60401 | Type1 | Active | DFGin | 6.8537 | 13.5575 | BLAminus | -149.67, -169.25 | 59.25, 76.47 | -95.25, 24.67 | 286.86, 82.81 | -60.26, -24.9 | in-in | in | 8.3122 | Saltbr-in | 2.8231 | HRD-in | -94.27, -51.86 | 75.28, 11.95 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9146 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -151.26, 163.87 | APE9-dihe-na | 122.52, -168.66 | APE8-dihe-in | -132.25, 128.66 | APE8-rot-in | 296.78 | APE67-dihe-in | -66.29, -20.21 | -52.98, -41.57 | APE12-dist-in | 9.0946 | APE11-dist-in | 10.1274 | APE10-dist-in | 4.8127 | APE9-dist-in | 3.4217 | D135N | SEP172 | SEP172 | XRAY | 1.8 | 0.17 | 0.194 | B | 319.0 | 306.0 | 0 | 27 | 27 | 0 | [[9, 625]] | 1.0 | 4euu | Homo sapiens | OTHER_TBK1_HUMAN | OTHER | 5.2e-42 | 150.0 | 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 |
|---|