| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TKL | IRAK4 | IRAK4_HUMAN | AF-Q9NWZ3-K1A | Q9NWZ3 | 167 | 460 | 460.0 | No_ligand | No_ligand | Active | DFGin | 6.8118 | 13.6643 | BLAminus | -132.76, 172.69 | 67.25, 69.59 | -89.82, 12.24 | 307.87, 90.6 | -59.49, -31.68 | in-in | in | 8.8545 | Saltbr-in | 3.3486 | HRD-in | -71.59, -45.27 | 70.03, -5.05 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.871 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -141.66, 156.28 | APE9-dihe-na | 122.41, 177.96 | APE8-dihe-in | -94.38, 113.56 | APE8-rot-in | 308.42 | APE67-dihe-in | -63.16, -15.22 | -47.64, -42.49 | APE12-dist-in | 9.9128 | APE11-dist-in | 11.7505 | APE10-dist-in | 6.2739 | APE9-dist-in | 3.8166 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 294.0 | 294.0 | 0 | 30 | 30 | 0 | [[183, 456]] | 1.0 | AF-Q9NWZ3-K1 | TKL_IRAK4_HUMAN | TKL | 3.7e-84 | 288.3 | 5.0 | 266.0 | 262.0 | 328 | 329 | 330 | 332 | 334 | 213 | 233 | 237 | 308 | 310 | 309 | 311.0 | 369 | 358 | 353 | 352 | 351 | 350 | 349 | 348 | 347 | 263 | Interleukin-1 receptor-associated kinase 4 |
| TKL | IRAK4 | IRAK4_HUMAN | AF-Q9NWZ3-K3A | Q9NWZ3 | 167 | 460 | 460.0 | No_ligand | No_ligand | Active | DFGin | 6.7864 | 14.0038 | BLAminus | -132.19, 177.79 | 65.89, 57.73 | -81.1, 6.78 | 299.4, 89.77 | -58.62, -25.66 | in-in | in | 8.8744 | Saltbr-in | 3.0276 | HRD-in | -74.86, -42.43 | 71.98, -8.96 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8504 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -149.5, 149.42 | APE9-dihe-na | 114.46, -176.54 | APE8-dihe-in | -91.44, 118.0 | APE8-rot-in | 299.76 | APE67-dihe-in | -61.58, -17.39 | -51.41, -39.95 | APE12-dist-in | 10.2044 | APE11-dist-in | 11.6384 | APE10-dist-in | 6.1636 | APE9-dist-in | 4.2957 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 294.0 | 294.0 | 0 | 30 | 30 | 0 | [[183, 456]] | 1.0 | AF-Q9NWZ3-K3 | TKL_IRAK4_HUMAN | TKL | 3.7e-84 | 288.3 | 5.0 | 266.0 | 262.0 | 328 | 329 | 330 | 332 | 334 | 213 | 233 | 237 | 308 | 310 | 309 | 311.0 | 369 | 358 | 353 | 352 | 351 | 350 | 349 | 348 | 347 | 263 | Interleukin-1 receptor-associated kinase 4 |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TKL | IRAK4 | IRAK4_HUMAN | AF-Q9NWZ3-K1A | Q9NWZ3 | 167 | 460 | 460.0 | No_ligand | No_ligand | Active | DFGin | 6.8118 | 13.6643 | BLAminus | -132.76, 172.69 | 67.25, 69.59 | -89.82, 12.24 | 307.87, 90.6 | -59.49, -31.68 | in-in | in | 8.8545 | Saltbr-in | 3.3486 | HRD-in | -71.59, -45.27 | 70.03, -5.05 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.871 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -141.66, 156.28 | APE9-dihe-na | 122.41, 177.96 | APE8-dihe-in | -94.38, 113.56 | APE8-rot-in | 308.42 | APE67-dihe-in | -63.16, -15.22 | -47.64, -42.49 | APE12-dist-in | 9.9128 | APE11-dist-in | 11.7505 | APE10-dist-in | 6.2739 | APE9-dist-in | 3.8166 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 294.0 | 294.0 | 0 | 30 | 30 | 0 | [[183, 456]] | 1.0 | AF-Q9NWZ3-K1 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 3.7e-84 | 288.3 | 5.0 | 266.0 | 262.0 | 328 | 329 | 330 | 332 | 334 | 213 | 233 | 237 | 308 | 310 | 309 | 311.0 | 369 | 358 | 353 | 352 | 351 | 350 | 349 | 348 | 347 | 263 | Interleukin-1 receptor-associated kinase 4 |
| TKL | IRAK4 | IRAK4_HUMAN | AF-Q9NWZ3-K3A | Q9NWZ3 | 167 | 460 | 460.0 | No_ligand | No_ligand | Active | DFGin | 6.7864 | 14.0038 | BLAminus | -132.19, 177.79 | 65.89, 57.73 | -81.1, 6.78 | 299.4, 89.77 | -58.62, -25.66 | in-in | in | 8.8744 | Saltbr-in | 3.0276 | HRD-in | -74.86, -42.43 | 71.98, -8.96 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8504 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -149.5, 149.42 | APE9-dihe-na | 114.46, -176.54 | APE8-dihe-in | -91.44, 118.0 | APE8-rot-in | 299.76 | APE67-dihe-in | -61.58, -17.39 | -51.41, -39.95 | APE12-dist-in | 10.2044 | APE11-dist-in | 11.6384 | APE10-dist-in | 6.1636 | APE9-dist-in | 4.2957 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 294.0 | 294.0 | 0 | 30 | 30 | 0 | [[183, 456]] | 1.0 | AF-Q9NWZ3-K3 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 3.7e-84 | 288.3 | 5.0 | 266.0 | 262.0 | 328 | 329 | 330 | 332 | 334 | 213 | 233 | 237 | 308 | 310 | 309 | 311.0 | 369 | 358 | 353 | 352 | 351 | 350 | 349 | 348 | 347 | 263 | Interleukin-1 receptor-associated kinase 4 |
| 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 |
|---|