| 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 | 5UISA | Q9NWZ3 | 165 | 458 | 460.0 | 8C1:800 | Type1 | Inactive | DFGin | 7.1118 | 14.0398 | BLAminus | -129.58, 176.58 | 61.82, 86.42 | -113.89, 16.49 | 308.82, 94.47 | -62.9, -34.09 | in-out | in | 8.541 | Saltbr-out | 5.5548 | HRD-in | -63.14, -50.87 | 76.52, -0.1 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7767 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.1, 153.54 | APE9-dihe-na | 136.54, -173.47 | APE8-dihe-in | -104.82, 108.83 | APE8-rot-in | 309.6 | APE67-dihe-in | -61.86, -20.01 | -38.21, -50.94 | APE12-dist-in | 10.0387 | APE11-dist-in | 11.8275 | APE10-dist-in | 6.4632 | APE9-dist-in | 3.9028 | None | TPO342,TPO345 | TPO342,TPO345 | XRAY | 2.5 | 0.235 | 0.25 | A | 323.0 | 270.0 | 24 | 30 | 22 | 8 | [[183, 456]] | 1.0 | 5uis | TKL_IRAK4_HUMAN | TKL | 5.2e-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 | 5UISB | Q9NWZ3 | 165 | 458 | 460.0 | 8C1:801 | Type1 | Inactive | DFGin | 7.1692 | 13.9676 | BLAminus | -129.92, 177.17 | 60.99, 86.93 | -113.16, 17.11 | 308.88, 93.79 | -61.36, -35.46 | in-out | in | 8.7441 | Saltbr-out | 6.5207 | HRD-in | -63.03, -51.01 | 76.25, -0.93 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7744 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -130.05, 154.43 | APE9-dihe-na | 135.24, -173.1 | APE8-dihe-in | -105.0, 108.25 | APE8-rot-in | 310.98 | APE67-dihe-in | -62.29, -20.41 | -37.93, -50.24 | APE12-dist-in | 10.0863 | APE11-dist-in | 11.8055 | APE10-dist-in | 6.4182 | APE9-dist-in | 3.8972 | None | TPO342,TPO345 | TPO342,TPO345 | XRAY | 2.5 | 0.235 | 0.25 | B | 323.0 | 275.0 | 19 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 5uis | TKL_IRAK4_HUMAN | TKL | 5.2e-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 | 5UISC | Q9NWZ3 | 162 | 458 | 460.0 | 8C1:501 | Type1 | Inactive | DFGin | 7.0074 | 14.3874 | BLAminus | -130.49, 177.24 | 60.84, 87.43 | -113.94, 16.73 | 308.87, 94.61 | -62.1, -34.09 | in-out | in | 8.8684 | Saltbr-out | 5.5617 | HRD-in | -63.44, -49.93 | 76.07, -0.4 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7889 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -130.1, 154.4 | APE9-dihe-na | 135.33, -172.81 | APE8-dihe-in | -104.91, 108.2 | APE8-rot-in | 311.65 | APE67-dihe-in | -62.59, -19.93 | -37.82, -50.44 | APE12-dist-in | 10.0518 | APE11-dist-in | 11.9322 | APE10-dist-in | 6.5257 | APE9-dist-in | 3.8867 | None | TPO342,TPO345 | TPO342,TPO345 | XRAY | 2.5 | 0.235 | 0.25 | C | 323.0 | 271.0 | 26 | 30 | 22 | 8 | [[183, 456]] | 1.0 | 5uis | TKL_IRAK4_HUMAN | TKL | 5.2e-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 | 5UISD | Q9NWZ3 | 165 | 458 | 460.0 | 8C1:501 | Type1 | Inactive | DFGin | 6.9195 | 14.3084 | BLAminus | -130.03, 177.09 | 61.04, 87.02 | -113.16, 16.71 | 309.14, 94.51 | -62.12, -34.57 | in-out | in | 8.8176 | Saltbr-out | 6.5419 | HRD-in | -64.13, -50.74 | 76.91, 0.02 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7878 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.65, 153.91 | APE9-dihe-na | 135.71, -173.08 | APE8-dihe-in | -105.05, 108.68 | APE8-rot-in | 311.81 | APE67-dihe-in | -63.27, -19.62 | -38.27, -49.96 | APE12-dist-in | 10.0324 | APE11-dist-in | 11.8269 | APE10-dist-in | 6.4561 | APE9-dist-in | 3.9118 | None | TPO342,TPO345 | TPO342,TPO345 | XRAY | 2.5 | 0.235 | 0.25 | D | 323.0 | 251.0 | 43 | 30 | 22 | 8 | [[183, 456]] | 1.0 | 5uis | TKL_IRAK4_HUMAN | TKL | 5.2e-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 | 5UISA | Q9NWZ3 | 165 | 458 | 460.0 | 8C1:800 | Type1 | Inactive | DFGin | 7.1118 | 14.0398 | BLAminus | -129.58, 176.58 | 61.82, 86.42 | -113.89, 16.49 | 308.82, 94.47 | -62.9, -34.09 | in-out | in | 8.541 | Saltbr-out | 5.5548 | HRD-in | -63.14, -50.87 | 76.52, -0.1 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7767 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.1, 153.54 | APE9-dihe-na | 136.54, -173.47 | APE8-dihe-in | -104.82, 108.83 | APE8-rot-in | 309.6 | APE67-dihe-in | -61.86, -20.01 | -38.21, -50.94 | APE12-dist-in | 10.0387 | APE11-dist-in | 11.8275 | APE10-dist-in | 6.4632 | APE9-dist-in | 3.9028 | None | TPO342,TPO345 | TPO342,TPO345 | XRAY | 2.5 | 0.235 | 0.25 | A | 323.0 | 270.0 | 24 | 30 | 22 | 8 | [[183, 456]] | 1.0 | 5uis | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.2e-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 | 5UISB | Q9NWZ3 | 165 | 458 | 460.0 | 8C1:801 | Type1 | Inactive | DFGin | 7.1692 | 13.9676 | BLAminus | -129.92, 177.17 | 60.99, 86.93 | -113.16, 17.11 | 308.88, 93.79 | -61.36, -35.46 | in-out | in | 8.7441 | Saltbr-out | 6.5207 | HRD-in | -63.03, -51.01 | 76.25, -0.93 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7744 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -130.05, 154.43 | APE9-dihe-na | 135.24, -173.1 | APE8-dihe-in | -105.0, 108.25 | APE8-rot-in | 310.98 | APE67-dihe-in | -62.29, -20.41 | -37.93, -50.24 | APE12-dist-in | 10.0863 | APE11-dist-in | 11.8055 | APE10-dist-in | 6.4182 | APE9-dist-in | 3.8972 | None | TPO342,TPO345 | TPO342,TPO345 | XRAY | 2.5 | 0.235 | 0.25 | B | 323.0 | 275.0 | 19 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 5uis | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.2e-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 | 5UISC | Q9NWZ3 | 162 | 458 | 460.0 | 8C1:501 | Type1 | Inactive | DFGin | 7.0074 | 14.3874 | BLAminus | -130.49, 177.24 | 60.84, 87.43 | -113.94, 16.73 | 308.87, 94.61 | -62.1, -34.09 | in-out | in | 8.8684 | Saltbr-out | 5.5617 | HRD-in | -63.44, -49.93 | 76.07, -0.4 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7889 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -130.1, 154.4 | APE9-dihe-na | 135.33, -172.81 | APE8-dihe-in | -104.91, 108.2 | APE8-rot-in | 311.65 | APE67-dihe-in | -62.59, -19.93 | -37.82, -50.44 | APE12-dist-in | 10.0518 | APE11-dist-in | 11.9322 | APE10-dist-in | 6.5257 | APE9-dist-in | 3.8867 | None | TPO342,TPO345 | TPO342,TPO345 | XRAY | 2.5 | 0.235 | 0.25 | C | 323.0 | 271.0 | 26 | 30 | 22 | 8 | [[183, 456]] | 1.0 | 5uis | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.2e-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 | 5UISD | Q9NWZ3 | 165 | 458 | 460.0 | 8C1:501 | Type1 | Inactive | DFGin | 6.9195 | 14.3084 | BLAminus | -130.03, 177.09 | 61.04, 87.02 | -113.16, 16.71 | 309.14, 94.51 | -62.12, -34.57 | in-out | in | 8.8176 | Saltbr-out | 6.5419 | HRD-in | -64.13, -50.74 | 76.91, 0.02 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7878 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.65, 153.91 | APE9-dihe-na | 135.71, -173.08 | APE8-dihe-in | -105.05, 108.68 | APE8-rot-in | 311.81 | APE67-dihe-in | -63.27, -19.62 | -38.27, -49.96 | APE12-dist-in | 10.0324 | APE11-dist-in | 11.8269 | APE10-dist-in | 6.4561 | APE9-dist-in | 3.9118 | None | TPO342,TPO345 | TPO342,TPO345 | XRAY | 2.5 | 0.235 | 0.25 | D | 323.0 | 251.0 | 43 | 30 | 22 | 8 | [[183, 456]] | 1.0 | 5uis | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 5.2e-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 |
|---|