| 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 | 2OIBA | Q9NWZ3 | 162 | 458 | 460.0 | No_ligand | No_ligand | Active | DFGin | 7.2364 | 14.0842 | BLAminus | -134.16, -176.28 | 54.93, 81.04 | -100.11, 21.09 | 297.23, 89.01 | -65.48, -18.31 | in-in | in | 9.1219 | Saltbr-in | 2.8468 | HRD-in | -68.64, -53.67 | 81.53, -4.3 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.6863 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.86, 156.66 | APE9-dihe-na | 135.28, -174.63 | APE8-dihe-in | -110.16, 113.63 | APE8-rot-in | 304.76 | APE67-dihe-in | -68.16, -10.88 | -49.28, -45.36 | APE12-dist-in | 10.0718 | APE11-dist-in | 11.7658 | APE10-dist-in | 6.4573 | APE9-dist-in | 3.9204 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.0 | 0.224 | 0.27 | A | 301.0 | 283.0 | 14 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 2oib | 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 | 2OIBB | Q9NWZ3 | 164 | 459 | 460.0 | No_ligand | No_ligand | Inactive | DFGin | 6.9115 | 14.3665 | BLAminus | -130.73, 177.63 | 60.98, 89.06 | -107.76, 18.75 | 304.42, 96.69 | -61.49, -32.17 | in-out | in | 8.7105 | Saltbr-out | 4.9735 | HRD-in | -73.5, -47.34 | 78.41, -6.88 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.603 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -117.65, 163.49 | APE9-dihe-na | 129.0, -175.48 | APE8-dihe-in | -112.62, 115.8 | APE8-rot-in | 312.17 | APE67-dihe-in | -59.96, -17.14 | -45.91, -50.69 | APE12-dist-in | 10.1468 | APE11-dist-in | 11.7665 | APE10-dist-in | 6.2429 | APE9-dist-in | 3.6764 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.0 | 0.224 | 0.27 | B | 301.0 | 280.0 | 16 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 2oib | 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 | 2OIBC | Q9NWZ3 | 161 | 458 | 460.0 | No_ligand | No_ligand | Active | DFGin | 6.7825 | 13.9217 | BLAminus | -128.61, -179.25 | 54.07, 81.1 | -99.0, 24.35 | 303.67, 85.85 | -70.18, -11.07 | in-in | in | 9.001 | Saltbr-in | 2.7478 | HRD-in | -69.66, -51.82 | 77.63, -0.65 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7889 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -124.16, 161.47 | APE9-dihe-na | 128.44, -177.87 | APE8-dihe-in | -108.48, 112.83 | APE8-rot-in | 306.45 | APE67-dihe-in | -63.49, -17.45 | -45.36, -47.81 | APE12-dist-in | 9.7554 | APE11-dist-in | 11.7364 | APE10-dist-in | 6.1609 | APE9-dist-in | 3.6923 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.0 | 0.224 | 0.27 | C | 301.0 | 281.0 | 17 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 2oib | 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 | 2OIBD | Q9NWZ3 | 162 | 459 | 460.0 | No_ligand | No_ligand | Inactive | DFGin | 6.869 | 14.1067 | BLAminus | -132.48, 179.0 | 58.57, 90.78 | -108.79, 13.93 | 305.25, 93.63 | -59.23, -27.46 | in-out | in | 8.5749 | Saltbr-out | 3.9104 | HRD-in | -70.94, -53.7 | 84.55, -7.25 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7686 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.13, 162.11 | APE9-dihe-na | 127.99, -173.2 | APE8-dihe-in | -112.52, 109.59 | APE8-rot-in | 304.94 | APE67-dihe-in | -66.63, -13.02 | -35.96, -52.59 | APE12-dist-in | 10.1459 | APE11-dist-in | 11.7056 | APE10-dist-in | 6.2291 | APE9-dist-in | 3.8573 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.0 | 0.224 | 0.27 | D | 301.0 | 291.0 | 7 | 30 | 30 | 0 | [[183, 456]] | 1.0 | 2oib | 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 | 2OIBA | Q9NWZ3 | 162 | 458 | 460.0 | No_ligand | No_ligand | Active | DFGin | 7.2364 | 14.0842 | BLAminus | -134.16, -176.28 | 54.93, 81.04 | -100.11, 21.09 | 297.23, 89.01 | -65.48, -18.31 | in-in | in | 9.1219 | Saltbr-in | 2.8468 | HRD-in | -68.64, -53.67 | 81.53, -4.3 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.6863 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.86, 156.66 | APE9-dihe-na | 135.28, -174.63 | APE8-dihe-in | -110.16, 113.63 | APE8-rot-in | 304.76 | APE67-dihe-in | -68.16, -10.88 | -49.28, -45.36 | APE12-dist-in | 10.0718 | APE11-dist-in | 11.7658 | APE10-dist-in | 6.4573 | APE9-dist-in | 3.9204 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.0 | 0.224 | 0.27 | A | 301.0 | 283.0 | 14 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 2oib | 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 | 2OIBB | Q9NWZ3 | 164 | 459 | 460.0 | No_ligand | No_ligand | Inactive | DFGin | 6.9115 | 14.3665 | BLAminus | -130.73, 177.63 | 60.98, 89.06 | -107.76, 18.75 | 304.42, 96.69 | -61.49, -32.17 | in-out | in | 8.7105 | Saltbr-out | 4.9735 | HRD-in | -73.5, -47.34 | 78.41, -6.88 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.603 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -117.65, 163.49 | APE9-dihe-na | 129.0, -175.48 | APE8-dihe-in | -112.62, 115.8 | APE8-rot-in | 312.17 | APE67-dihe-in | -59.96, -17.14 | -45.91, -50.69 | APE12-dist-in | 10.1468 | APE11-dist-in | 11.7665 | APE10-dist-in | 6.2429 | APE9-dist-in | 3.6764 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.0 | 0.224 | 0.27 | B | 301.0 | 280.0 | 16 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 2oib | 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 | 2OIBC | Q9NWZ3 | 161 | 458 | 460.0 | No_ligand | No_ligand | Active | DFGin | 6.7825 | 13.9217 | BLAminus | -128.61, -179.25 | 54.07, 81.1 | -99.0, 24.35 | 303.67, 85.85 | -70.18, -11.07 | in-in | in | 9.001 | Saltbr-in | 2.7478 | HRD-in | -69.66, -51.82 | 77.63, -0.65 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7889 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -124.16, 161.47 | APE9-dihe-na | 128.44, -177.87 | APE8-dihe-in | -108.48, 112.83 | APE8-rot-in | 306.45 | APE67-dihe-in | -63.49, -17.45 | -45.36, -47.81 | APE12-dist-in | 9.7554 | APE11-dist-in | 11.7364 | APE10-dist-in | 6.1609 | APE9-dist-in | 3.6923 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.0 | 0.224 | 0.27 | C | 301.0 | 281.0 | 17 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 2oib | 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 | 2OIBD | Q9NWZ3 | 162 | 459 | 460.0 | No_ligand | No_ligand | Inactive | DFGin | 6.869 | 14.1067 | BLAminus | -132.48, 179.0 | 58.57, 90.78 | -108.79, 13.93 | 305.25, 93.63 | -59.23, -27.46 | in-out | in | 8.5749 | Saltbr-out | 3.9104 | HRD-in | -70.94, -53.7 | 84.55, -7.25 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.7686 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.13, 162.11 | APE9-dihe-na | 127.99, -173.2 | APE8-dihe-in | -112.52, 109.59 | APE8-rot-in | 304.94 | APE67-dihe-in | -66.63, -13.02 | -35.96, -52.59 | APE12-dist-in | 10.1459 | APE11-dist-in | 11.7056 | APE10-dist-in | 6.2291 | APE9-dist-in | 3.8573 | None | TPO342,TPO345,SEP346 | TPO342,TPO345,SEP346 | XRAY | 2.0 | 0.224 | 0.27 | D | 301.0 | 291.0 | 7 | 30 | 30 | 0 | [[183, 456]] | 1.0 | 2oib | 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 |
|---|