| 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 | 4YO6A | Q9NWZ3 | 163 | 459 | 460.0 | 4GD:501 | Type1 | Inactive | DFGin | 6.8617 | 13.9601 | BLAminus | -129.91, 177.67 | 60.76, 83.02 | -105.78, 15.82 | 308.47, 100.26 | -61.62, -37.54 | in-out | in | 8.6354 | Saltbr-out | 3.7566 | HRD-in | -64.27, -52.67 | 78.0, -3.84 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6627 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -121.75, 154.49 | APE9-dihe-na | 134.67, -169.9 | APE8-dihe-in | -113.48, 114.93 | APE8-rot-in | 316.38 | APE67-dihe-in | -59.93, -21.93 | -40.75, -53.54 | APE12-dist-in | 9.8108 | APE11-dist-in | 11.7169 | APE10-dist-in | 6.295 | APE9-dist-in | 3.7922 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.32 | 0.199 | 0.225 | A | 301.0 | 289.0 | 8 | 30 | 27 | 3 | [[183, 456]] | 1.0 | 4yo6 | TKL_IRAK4_HUMAN | TKL | 4.1e-84 | 288.2 | 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 | 4YO6B | Q9NWZ3 | 161 | 459 | 460.0 | 4GD:501 | Type1 | Active | DFGin | 6.9838 | 14.018 | BLAminus | -128.18, 178.21 | 60.04, 83.58 | -106.22, 16.8 | 308.81, 100.39 | -62.55, -37.23 | in-in | in | 8.3444 | Saltbr-in | 3.3581 | HRD-in | -63.56, -52.38 | 78.12, -4.13 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8182 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -121.99, 155.41 | APE9-dihe-na | 134.98, -169.72 | APE8-dihe-in | -112.68, 114.11 | APE8-rot-in | 315.54 | APE67-dihe-in | -60.97, -21.48 | -39.7, -53.59 | APE12-dist-in | 9.9188 | APE11-dist-in | 11.7342 | APE10-dist-in | 6.2806 | APE9-dist-in | 3.7727 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.32 | 0.199 | 0.225 | B | 301.0 | 280.0 | 19 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 4yo6 | TKL_IRAK4_HUMAN | TKL | 4.1e-84 | 288.2 | 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 | 4YO6C | Q9NWZ3 | 164 | 460 | 460.0 | 4GD:501 | Type1 | Inactive | DFGin | 6.9084 | 14.067 | BLAminus | -128.29, 178.22 | 59.78, 82.76 | -103.95, 17.07 | 307.43, 101.27 | -61.63, -37.69 | in-out | in | 8.812 | Saltbr-out | 4.7022 | HRD-in | -64.18, -52.59 | 77.65, -3.55 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6722 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -123.3, 157.9 | APE9-dihe-na | 134.38, -169.38 | APE8-dihe-in | -113.09, 114.58 | APE8-rot-in | 315.5 | APE67-dihe-in | -61.27, -21.5 | -39.75, -52.67 | APE12-dist-in | 9.9432 | APE11-dist-in | 11.7304 | APE10-dist-in | 6.2981 | APE9-dist-in | 3.7593 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.32 | 0.199 | 0.225 | C | 301.0 | 289.0 | 8 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 4yo6 | TKL_IRAK4_HUMAN | TKL | 4.1e-84 | 288.2 | 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 | 4YO6D | Q9NWZ3 | 164 | 459 | 460.0 | 4GD:501,4GD:502 | Type1,Allosteric | Inactive | DFGin | 7.0074 | 13.7987 | BLAminus | -128.52, 178.14 | 61.39, 82.47 | -106.01, 15.47 | 309.65, 100.13 | -63.32, -35.07 | in-out | in | 8.3085 | Saltbr-out | 4.1986 | HRD-in | -64.44, -53.47 | 79.17, -4.29 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6719 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -122.23, 153.2 | APE9-dihe-na | 136.75, -169.98 | APE8-dihe-in | -112.74, 114.12 | APE8-rot-in | 314.47 | APE67-dihe-in | -60.31, -19.69 | -40.21, -53.83 | APE12-dist-in | 9.9637 | APE11-dist-in | 11.7421 | APE10-dist-in | 6.3209 | APE9-dist-in | 3.8609 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.32 | 0.199 | 0.225 | D | 301.0 | 288.0 | 8 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 4yo6 | TKL_IRAK4_HUMAN | TKL | 4.1e-84 | 288.2 | 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 | 4YO6A | Q9NWZ3 | 163 | 459 | 460.0 | 4GD:501 | Type1 | Inactive | DFGin | 6.8617 | 13.9601 | BLAminus | -129.91, 177.67 | 60.76, 83.02 | -105.78, 15.82 | 308.47, 100.26 | -61.62, -37.54 | in-out | in | 8.6354 | Saltbr-out | 3.7566 | HRD-in | -64.27, -52.67 | 78.0, -3.84 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6627 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -121.75, 154.49 | APE9-dihe-na | 134.67, -169.9 | APE8-dihe-in | -113.48, 114.93 | APE8-rot-in | 316.38 | APE67-dihe-in | -59.93, -21.93 | -40.75, -53.54 | APE12-dist-in | 9.8108 | APE11-dist-in | 11.7169 | APE10-dist-in | 6.295 | APE9-dist-in | 3.7922 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.32 | 0.199 | 0.225 | A | 301.0 | 289.0 | 8 | 30 | 27 | 3 | [[183, 456]] | 1.0 | 4yo6 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.1e-84 | 288.2 | 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 | 4YO6B | Q9NWZ3 | 161 | 459 | 460.0 | 4GD:501 | Type1 | Active | DFGin | 6.9838 | 14.018 | BLAminus | -128.18, 178.21 | 60.04, 83.58 | -106.22, 16.8 | 308.81, 100.39 | -62.55, -37.23 | in-in | in | 8.3444 | Saltbr-in | 3.3581 | HRD-in | -63.56, -52.38 | 78.12, -4.13 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8182 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -121.99, 155.41 | APE9-dihe-na | 134.98, -169.72 | APE8-dihe-in | -112.68, 114.11 | APE8-rot-in | 315.54 | APE67-dihe-in | -60.97, -21.48 | -39.7, -53.59 | APE12-dist-in | 9.9188 | APE11-dist-in | 11.7342 | APE10-dist-in | 6.2806 | APE9-dist-in | 3.7727 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.32 | 0.199 | 0.225 | B | 301.0 | 280.0 | 19 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 4yo6 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.1e-84 | 288.2 | 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 | 4YO6C | Q9NWZ3 | 164 | 460 | 460.0 | 4GD:501 | Type1 | Inactive | DFGin | 6.9084 | 14.067 | BLAminus | -128.29, 178.22 | 59.78, 82.76 | -103.95, 17.07 | 307.43, 101.27 | -61.63, -37.69 | in-out | in | 8.812 | Saltbr-out | 4.7022 | HRD-in | -64.18, -52.59 | 77.65, -3.55 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6722 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -123.3, 157.9 | APE9-dihe-na | 134.38, -169.38 | APE8-dihe-in | -113.09, 114.58 | APE8-rot-in | 315.5 | APE67-dihe-in | -61.27, -21.5 | -39.75, -52.67 | APE12-dist-in | 9.9432 | APE11-dist-in | 11.7304 | APE10-dist-in | 6.2981 | APE9-dist-in | 3.7593 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.32 | 0.199 | 0.225 | C | 301.0 | 289.0 | 8 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 4yo6 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.1e-84 | 288.2 | 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 | 4YO6D | Q9NWZ3 | 164 | 459 | 460.0 | 4GD:501,4GD:502 | Type1,Allosteric | Inactive | DFGin | 7.0074 | 13.7987 | BLAminus | -128.52, 178.14 | 61.39, 82.47 | -106.01, 15.47 | 309.65, 100.13 | -63.32, -35.07 | in-out | in | 8.3085 | Saltbr-out | 4.1986 | HRD-in | -64.44, -53.47 | 79.17, -4.29 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.6719 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -122.23, 153.2 | APE9-dihe-na | 136.75, -169.98 | APE8-dihe-in | -112.74, 114.12 | APE8-rot-in | 314.47 | APE67-dihe-in | -60.31, -19.69 | -40.21, -53.83 | APE12-dist-in | 9.9637 | APE11-dist-in | 11.7421 | APE10-dist-in | 6.3209 | APE9-dist-in | 3.8609 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.32 | 0.199 | 0.225 | D | 301.0 | 288.0 | 8 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 4yo6 | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.1e-84 | 288.2 | 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 |
|---|