| 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 | 6O94A | Q9NWZ3 | 163 | 458 | 460.0 | LRS:502 | Type1 | Inactive | DFGin | 6.9797 | 13.9567 | BLAminus | -123.25, 179.18 | 58.62, 91.23 | -110.31, 12.12 | 305.58, 96.78 | -63.69, -27.63 | in-out | in | 9.1142 | Saltbr-out | 5.0245 | HRD-in | -68.39, -52.68 | 75.29, -1.68 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8366 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.99, 140.47 | APE9-dihe-na | 148.46, -177.74 | APE8-dihe-in | -101.2, 107.55 | APE8-rot-in | 306.34 | APE67-dihe-in | -55.1, -20.47 | -45.77, -47.94 | APE12-dist-in | 10.0718 | APE11-dist-in | 12.0661 | APE10-dist-in | 7.3254 | APE9-dist-in | 5.2183 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.98 | 0.184 | 0.215 | A | 320.0 | 292.0 | 4 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 6o94 | TKL_IRAK4_HUMAN | TKL | 5.1e-84 | 287.9 | 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 | 6O94B | Q9NWZ3 | 162 | 458 | 460.0 | LRS:502 | Type1 | Inactive | DFGin | 6.899 | 14.0279 | BLAminus | -122.58, 179.95 | 63.12, 86.64 | -108.65, 9.89 | 303.71, 93.33 | -58.6, -27.16 | in-out | in | 8.998 | Saltbr-out | 4.9134 | HRD-in | -65.66, -51.1 | 74.78, 1.16 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8194 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -133.21, 144.66 | APE9-dihe-na | 140.06, 177.25 | APE8-dihe-in | -95.53, 110.29 | APE8-rot-in | 309.4 | APE67-dihe-in | -63.88, -19.8 | -59.96, -25.96 | APE12-dist-in | 10.2683 | APE11-dist-in | 12.0988 | APE10-dist-in | 7.0791 | APE9-dist-in | 4.8461 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.98 | 0.184 | 0.215 | B | 320.0 | 293.0 | 4 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 6o94 | TKL_IRAK4_HUMAN | TKL | 5.1e-84 | 287.9 | 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 | 6O94C | Q9NWZ3 | 163 | 458 | 460.0 | LRS:501 | Type1 | Inactive | DFGin | 6.5899 | 14.128 | BLAminus | -121.22, 176.46 | 62.3, 93.01 | -113.1, 16.55 | 308.78, 90.13 | -63.81, -32.68 | in-out | in | 8.6856 | Saltbr-out | 4.062 | HRD-in | -68.33, -51.83 | 77.7, -5.17 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7983 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.28, 149.13 | APE9-dihe-na | 136.69, -178.03 | APE8-dihe-in | -101.68, 113.37 | APE8-rot-in | 311.59 | APE67-dihe-in | -65.13, -21.18 | -43.64, -46.59 | APE12-dist-in | 9.9441 | APE11-dist-in | 12.0198 | APE10-dist-in | 6.6751 | APE9-dist-in | 4.3492 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.98 | 0.184 | 0.215 | C | 320.0 | 286.0 | 10 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 6o94 | TKL_IRAK4_HUMAN | TKL | 5.1e-84 | 287.9 | 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 | 6O94D | Q9NWZ3 | 163 | 458 | 460.0 | LRS:501 | Type1 | Inactive | DFGin | 7.0029 | 14.0207 | BLAminus | -126.53, 176.59 | 61.66, 94.12 | -114.42, 13.3 | 307.72, 104.0 | -58.57, -29.78 | in-out | in | 8.9166 | Saltbr-out | 4.8918 | HRD-in | -70.14, -50.46 | 72.65, -1.5 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7844 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -122.81, 156.44 | APE9-dihe-na | 122.83, -176.0 | APE8-dihe-in | -107.14, 110.01 | APE8-rot-in | 318.74 | APE67-dihe-in | -57.74, -23.07 | -42.07, -49.71 | APE12-dist-in | 10.2874 | APE11-dist-in | 12.0683 | APE10-dist-in | 6.673 | APE9-dist-in | 4.3687 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.98 | 0.184 | 0.215 | D | 320.0 | 285.0 | 11 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 6o94 | TKL_IRAK4_HUMAN | TKL | 5.1e-84 | 287.9 | 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 | 6O94A | Q9NWZ3 | 163 | 458 | 460.0 | LRS:502 | Type1 | Inactive | DFGin | 6.9797 | 13.9567 | BLAminus | -123.25, 179.18 | 58.62, 91.23 | -110.31, 12.12 | 305.58, 96.78 | -63.69, -27.63 | in-out | in | 9.1142 | Saltbr-out | 5.0245 | HRD-in | -68.39, -52.68 | 75.29, -1.68 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8366 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.99, 140.47 | APE9-dihe-na | 148.46, -177.74 | APE8-dihe-in | -101.2, 107.55 | APE8-rot-in | 306.34 | APE67-dihe-in | -55.1, -20.47 | -45.77, -47.94 | APE12-dist-in | 10.0718 | APE11-dist-in | 12.0661 | APE10-dist-in | 7.3254 | APE9-dist-in | 5.2183 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.98 | 0.184 | 0.215 | A | 320.0 | 292.0 | 4 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 6o94 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.1e-84 | 287.9 | 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 | 6O94B | Q9NWZ3 | 162 | 458 | 460.0 | LRS:502 | Type1 | Inactive | DFGin | 6.899 | 14.0279 | BLAminus | -122.58, 179.95 | 63.12, 86.64 | -108.65, 9.89 | 303.71, 93.33 | -58.6, -27.16 | in-out | in | 8.998 | Saltbr-out | 4.9134 | HRD-in | -65.66, -51.1 | 74.78, 1.16 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8194 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -133.21, 144.66 | APE9-dihe-na | 140.06, 177.25 | APE8-dihe-in | -95.53, 110.29 | APE8-rot-in | 309.4 | APE67-dihe-in | -63.88, -19.8 | -59.96, -25.96 | APE12-dist-in | 10.2683 | APE11-dist-in | 12.0988 | APE10-dist-in | 7.0791 | APE9-dist-in | 4.8461 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.98 | 0.184 | 0.215 | B | 320.0 | 293.0 | 4 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 6o94 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.1e-84 | 287.9 | 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 | 6O94C | Q9NWZ3 | 163 | 458 | 460.0 | LRS:501 | Type1 | Inactive | DFGin | 6.5899 | 14.128 | BLAminus | -121.22, 176.46 | 62.3, 93.01 | -113.1, 16.55 | 308.78, 90.13 | -63.81, -32.68 | in-out | in | 8.6856 | Saltbr-out | 4.062 | HRD-in | -68.33, -51.83 | 77.7, -5.17 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7983 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.28, 149.13 | APE9-dihe-na | 136.69, -178.03 | APE8-dihe-in | -101.68, 113.37 | APE8-rot-in | 311.59 | APE67-dihe-in | -65.13, -21.18 | -43.64, -46.59 | APE12-dist-in | 9.9441 | APE11-dist-in | 12.0198 | APE10-dist-in | 6.6751 | APE9-dist-in | 4.3492 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.98 | 0.184 | 0.215 | C | 320.0 | 286.0 | 10 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 6o94 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.1e-84 | 287.9 | 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 | 6O94D | Q9NWZ3 | 163 | 458 | 460.0 | LRS:501 | Type1 | Inactive | DFGin | 7.0029 | 14.0207 | BLAminus | -126.53, 176.59 | 61.66, 94.12 | -114.42, 13.3 | 307.72, 104.0 | -58.57, -29.78 | in-out | in | 8.9166 | Saltbr-out | 4.8918 | HRD-in | -70.14, -50.46 | 72.65, -1.5 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7844 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -122.81, 156.44 | APE9-dihe-na | 122.83, -176.0 | APE8-dihe-in | -107.14, 110.01 | APE8-rot-in | 318.74 | APE67-dihe-in | -57.74, -23.07 | -42.07, -49.71 | APE12-dist-in | 10.2874 | APE11-dist-in | 12.0683 | APE10-dist-in | 6.673 | APE9-dist-in | 4.3687 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 1.98 | 0.184 | 0.215 | D | 320.0 | 285.0 | 11 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 6o94 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.1e-84 | 287.9 | 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 |
|---|