| 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 | 6NT9A | Q9UHD2 | 1 | 658 | 729.0 | No_ligand | No_ligand | Inactive | DFGin | 6.1555 | 14.8254 | BLBplus | -141.85, 165.55 | 54.68, 50.97 | -103.72, 137.33 | 50.05, 86.77 | 117.21, 999.0 | out-out | out | 13.5689 | Saltbr-out | 11.5808 | HRD-out | -117.25, -179.25 | -79.83, -165.94 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 0.32 | APE8-dihe-out | 58.57, 2.92 | APE8-rot-out | 198.03 | APE67-dihe-in | -83.72, -13.88 | -124.64, -1.37 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 17.0484 | D135N | None | None | EM | 3.3 | 999.0 | 999.0 | A | 742.0 | 605.0 | 42 | 27 | 12 | 15 | [[9, 625]] | 1.0 | 6nt9 | OTHER_TBK1_HUMAN | OTHER | 2.7e-41 | 148.4 | 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 | 6NT9B | Q9UHD2 | 1 | 658 | 729.0 | No_ligand | No_ligand | Inactive | DFGin | 6.1559 | 14.8259 | BLBplus | -141.92, 165.53 | 54.76, 50.86 | -103.72, 137.35 | 50.03, 86.82 | 117.26, 999.0 | out-out | out | 13.5694 | Saltbr-out | 11.5819 | HRD-out | -117.26, -179.2 | -79.82, -165.98 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 0.31 | APE8-dihe-out | 58.62, 2.94 | APE8-rot-out | 198.1 | APE67-dihe-in | -83.7, -13.99 | -124.72, -1.36 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 17.0486 | D135N | None | None | EM | 3.3 | 999.0 | 999.0 | B | 742.0 | 605.0 | 42 | 27 | 12 | 15 | [[9, 625]] | 1.0 | 6nt9 | OTHER_TBK1_HUMAN | OTHER | 2.7e-41 | 148.4 | 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 | 6NT9A | Q9UHD2 | 1 | 658 | 729.0 | No_ligand | No_ligand | Inactive | DFGin | 6.1555 | 14.8254 | BLBplus | -141.85, 165.55 | 54.68, 50.97 | -103.72, 137.33 | 50.05, 86.77 | 117.21, 999.0 | out-out | out | 13.5689 | Saltbr-out | 11.5808 | HRD-out | -117.25, -179.25 | -79.83, -165.94 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 0.32 | APE8-dihe-out | 58.57, 2.92 | APE8-rot-out | 198.03 | APE67-dihe-in | -83.72, -13.88 | -124.64, -1.37 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 17.0484 | D135N | None | None | EM | 3.3 | 999.0 | 999.0 | A | 742.0 | 605.0 | 42 | 27 | 12 | 15 | [[9, 625]] | 1.0 | 6nt9 | Homo sapiens | OTHER_TBK1_HUMAN | OTHER | 2.7e-41 | 148.4 | 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 | 6NT9B | Q9UHD2 | 1 | 658 | 729.0 | No_ligand | No_ligand | Inactive | DFGin | 6.1559 | 14.8259 | BLBplus | -141.92, 165.53 | 54.76, 50.86 | -103.72, 137.35 | 50.03, 86.82 | 117.26, 999.0 | out-out | out | 13.5694 | Saltbr-out | 11.5819 | HRD-out | -117.26, -179.2 | -79.82, -165.98 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 0.31 | APE8-dihe-out | 58.62, 2.94 | APE8-rot-out | 198.1 | APE67-dihe-in | -83.7, -13.99 | -124.72, -1.36 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 17.0486 | D135N | None | None | EM | 3.3 | 999.0 | 999.0 | B | 742.0 | 605.0 | 42 | 27 | 12 | 15 | [[9, 625]] | 1.0 | 6nt9 | Homo sapiens | OTHER_TBK1_HUMAN | OTHER | 2.7e-41 | 148.4 | 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 |
|---|