| 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 | 6VQLA | Q9NWZ3 | 162 | 458 | 460.0 | R7S:501 | Type1 | Inactive | DFGin | 6.9484 | 14.1016 | BLAminus | -128.89, 178.86 | 62.54, 89.32 | -112.77, 19.41 | 307.7, 95.35 | -67.01, -28.48 | in-out | in | 8.8675 | Saltbr-out | 5.76 | HRD-in | -60.86, -51.23 | 73.74, 13.24 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8492 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.6, 156.29 | APE9-dihe-na | 133.29, -167.61 | APE8-dihe-in | -110.06, 117.8 | APE8-rot-in | 304.32 | APE67-dihe-in | -57.05, -22.07 | -48.75, -46.61 | APE12-dist-in | 10.1761 | APE11-dist-in | 11.8072 | APE10-dist-in | 6.649 | APE9-dist-in | 4.2808 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.069 | 0.244 | 0.279 | A | 305.0 | 289.0 | 8 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 6vql | TKL_IRAK4_HUMAN | TKL | 4.3e-84 | 288.1 | 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 | 6VQLB | Q9NWZ3 | 163 | 458 | 460.0 | R7S:501 | Type1 | Inactive | DFGin | 6.8966 | 14.2148 | BLAminus | -126.69, 171.91 | 63.96, 89.58 | -112.73, 19.19 | 306.74, 94.98 | -66.69, -28.16 | in-out | in | 8.9822 | Saltbr-out | 5.741 | HRD-in | -62.48, -51.55 | 75.13, -0.71 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8406 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.85, 155.05 | APE9-dihe-na | 137.23, -167.23 | APE8-dihe-in | -108.71, 118.9 | APE8-rot-in | 303.04 | APE67-dihe-in | -58.51, -22.41 | -49.11, -44.93 | APE12-dist-in | 9.9848 | APE11-dist-in | 11.6612 | APE10-dist-in | 6.4733 | APE9-dist-in | 4.1617 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.069 | 0.244 | 0.279 | B | 305.0 | 286.0 | 10 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 6vql | TKL_IRAK4_HUMAN | TKL | 4.3e-84 | 288.1 | 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 | 6VQLC | Q9NWZ3 | 163 | 458 | 460.0 | R7S:501 | Type1 | Inactive | DFGin | 6.8553 | 14.2188 | BLAminus | -132.18, 176.88 | 62.56, 88.49 | -111.96, 18.83 | 307.92, 94.58 | -68.15, -27.83 | in-out | in | 8.914 | Saltbr-out | 5.6384 | HRD-in | -60.2, -52.63 | 76.62, 2.47 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8512 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.63, 152.97 | APE9-dihe-na | 134.77, -170.05 | APE8-dihe-in | -109.39, 118.28 | APE8-rot-in | 304.2 | APE67-dihe-in | -58.39, -21.83 | -47.95, -45.47 | APE12-dist-in | 10.3271 | APE11-dist-in | 11.87 | APE10-dist-in | 6.6051 | APE9-dist-in | 4.1155 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.069 | 0.244 | 0.279 | C | 305.0 | 287.0 | 9 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 6vql | TKL_IRAK4_HUMAN | TKL | 4.3e-84 | 288.1 | 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 | 6VQLD | Q9NWZ3 | 164 | 458 | 460.0 | R7S:501 | Type1 | Inactive | DFGin | 6.8992 | 14.2157 | BLAminus | -132.06, 177.07 | 63.58, 87.81 | -112.09, 19.53 | 307.29, 95.54 | -67.51, -28.65 | in-out | in | 8.8824 | Saltbr-out | 5.7951 | HRD-in | -61.98, -52.71 | 76.16, 3.96 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8477 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.0, 154.7 | APE9-dihe-na | 133.81, -169.11 | APE8-dihe-in | -109.98, 117.79 | APE8-rot-in | 303.11 | APE67-dihe-in | -57.87, -22.08 | -46.74, -46.13 | APE12-dist-in | 10.0605 | APE11-dist-in | 11.8494 | APE10-dist-in | 6.607 | APE9-dist-in | 4.1195 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.069 | 0.244 | 0.279 | D | 305.0 | 287.0 | 8 | 30 | 27 | 3 | [[183, 456]] | 1.0 | 6vql | TKL_IRAK4_HUMAN | TKL | 4.3e-84 | 288.1 | 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 | 6VQLA | Q9NWZ3 | 162 | 458 | 460.0 | R7S:501 | Type1 | Inactive | DFGin | 6.9484 | 14.1016 | BLAminus | -128.89, 178.86 | 62.54, 89.32 | -112.77, 19.41 | 307.7, 95.35 | -67.01, -28.48 | in-out | in | 8.8675 | Saltbr-out | 5.76 | HRD-in | -60.86, -51.23 | 73.74, 13.24 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8492 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.6, 156.29 | APE9-dihe-na | 133.29, -167.61 | APE8-dihe-in | -110.06, 117.8 | APE8-rot-in | 304.32 | APE67-dihe-in | -57.05, -22.07 | -48.75, -46.61 | APE12-dist-in | 10.1761 | APE11-dist-in | 11.8072 | APE10-dist-in | 6.649 | APE9-dist-in | 4.2808 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.069 | 0.244 | 0.279 | A | 305.0 | 289.0 | 8 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 6vql | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.3e-84 | 288.1 | 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 | 6VQLB | Q9NWZ3 | 163 | 458 | 460.0 | R7S:501 | Type1 | Inactive | DFGin | 6.8966 | 14.2148 | BLAminus | -126.69, 171.91 | 63.96, 89.58 | -112.73, 19.19 | 306.74, 94.98 | -66.69, -28.16 | in-out | in | 8.9822 | Saltbr-out | 5.741 | HRD-in | -62.48, -51.55 | 75.13, -0.71 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8406 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.85, 155.05 | APE9-dihe-na | 137.23, -167.23 | APE8-dihe-in | -108.71, 118.9 | APE8-rot-in | 303.04 | APE67-dihe-in | -58.51, -22.41 | -49.11, -44.93 | APE12-dist-in | 9.9848 | APE11-dist-in | 11.6612 | APE10-dist-in | 6.4733 | APE9-dist-in | 4.1617 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.069 | 0.244 | 0.279 | B | 305.0 | 286.0 | 10 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 6vql | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.3e-84 | 288.1 | 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 | 6VQLC | Q9NWZ3 | 163 | 458 | 460.0 | R7S:501 | Type1 | Inactive | DFGin | 6.8553 | 14.2188 | BLAminus | -132.18, 176.88 | 62.56, 88.49 | -111.96, 18.83 | 307.92, 94.58 | -68.15, -27.83 | in-out | in | 8.914 | Saltbr-out | 5.6384 | HRD-in | -60.2, -52.63 | 76.62, 2.47 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8512 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -127.63, 152.97 | APE9-dihe-na | 134.77, -170.05 | APE8-dihe-in | -109.39, 118.28 | APE8-rot-in | 304.2 | APE67-dihe-in | -58.39, -21.83 | -47.95, -45.47 | APE12-dist-in | 10.3271 | APE11-dist-in | 11.87 | APE10-dist-in | 6.6051 | APE9-dist-in | 4.1155 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.069 | 0.244 | 0.279 | C | 305.0 | 287.0 | 9 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 6vql | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.3e-84 | 288.1 | 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 | 6VQLD | Q9NWZ3 | 164 | 458 | 460.0 | R7S:501 | Type1 | Inactive | DFGin | 6.8992 | 14.2157 | BLAminus | -132.06, 177.07 | 63.58, 87.81 | -112.09, 19.53 | 307.29, 95.54 | -67.51, -28.65 | in-out | in | 8.8824 | Saltbr-out | 5.7951 | HRD-in | -61.98, -52.71 | 76.16, 3.96 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8477 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -128.0, 154.7 | APE9-dihe-na | 133.81, -169.11 | APE8-dihe-in | -109.98, 117.79 | APE8-rot-in | 303.11 | APE67-dihe-in | -57.87, -22.08 | -46.74, -46.13 | APE12-dist-in | 10.0605 | APE11-dist-in | 11.8494 | APE10-dist-in | 6.607 | APE9-dist-in | 4.1195 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.069 | 0.244 | 0.279 | D | 305.0 | 287.0 | 8 | 30 | 27 | 3 | [[183, 456]] | 1.0 | 6vql | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.3e-84 | 288.1 | 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 |
|---|