| 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 | 9R9GA | Q9NWZ3 | 163 | 458 | 460.0 | Y9T:501 | Type1 | Inactive | DFGin | 6.948 | 14.2471 | BLAminus | -130.74, 175.0 | 63.76, 86.61 | -108.65, 17.69 | 308.07, 98.94 | -62.62, -29.22 | in-out | in | 8.7339 | Saltbr-out | 4.8435 | HRD-in | -68.25, -50.26 | 77.88, -4.02 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8599 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -123.63, 160.85 | APE9-dihe-na | 132.15, -171.04 | APE8-dihe-in | -115.27, 115.04 | APE8-rot-in | 308.73 | APE67-dihe-in | -62.64, -15.32 | -49.18, -44.92 | APE12-dist-in | 9.8967 | APE11-dist-in | 11.8568 | APE10-dist-in | 6.4089 | APE9-dist-in | 3.6889 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 1.88 | 0.204 | 0.228 | A | 308.0 | 286.0 | 10 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 9r9g | TKL_IRAK4_HUMAN | TKL | 4.4e-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 | 9R9GB | Q9NWZ3 | 163 | 458 | 460.0 | Y9T:501 | Type1 | Inactive | DFGin | 6.9319 | 14.2655 | BLAminus | -125.04, 172.39 | 63.91, 85.11 | -106.57, 17.26 | 306.3, 94.34 | -62.58, -32.77 | in-out | in | 8.6918 | Saltbr-out | 4.0108 | HRD-in | -67.99, -51.01 | 79.32, -6.48 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8491 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -122.63, 159.54 | APE9-dihe-na | 133.41, -171.38 | APE8-dihe-in | -115.54, 114.65 | APE8-rot-in | 308.5 | APE67-dihe-in | -62.16, -14.91 | -45.99, -48.35 | APE12-dist-in | 9.9025 | APE11-dist-in | 11.9461 | APE10-dist-in | 6.482 | APE9-dist-in | 3.7204 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 1.88 | 0.204 | 0.228 | B | 308.0 | 286.0 | 10 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 9r9g | TKL_IRAK4_HUMAN | TKL | 4.4e-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 | 9R9GC | Q9NWZ3 | 164 | 458 | 460.0 | Y9T:501 | Type1 | Inactive | DFGin | 7.0674 | 14.0996 | BLAminus | -129.01, 170.18 | 68.19, 86.48 | -108.0, 15.16 | 307.09, 99.37 | -62.89, -29.47 | in-out | in | 8.5991 | Saltbr-out | 4.7702 | HRD-in | -67.95, -50.9 | 79.35, -5.74 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8497 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.34, 160.8 | APE9-dihe-na | 132.4, -171.76 | APE8-dihe-in | -114.85, 114.71 | APE8-rot-in | 307.49 | APE67-dihe-in | -61.59, -16.4 | -48.9, -45.19 | APE12-dist-in | 9.893 | APE11-dist-in | 11.8233 | APE10-dist-in | 6.3745 | APE9-dist-in | 3.6951 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 1.88 | 0.204 | 0.228 | C | 308.0 | 286.0 | 9 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 9r9g | TKL_IRAK4_HUMAN | TKL | 4.4e-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 | 9R9GD | Q9NWZ3 | 164 | 458 | 460.0 | Y9T:501 | Type1 | Inactive | DFGin | 7.0205 | 13.9212 | BLAminus | -128.78, 173.52 | 64.74, 84.24 | -108.04, 17.03 | 309.57, 97.28 | -63.17, -27.35 | in-out | in | 8.6739 | Saltbr-out | 5.7794 | HRD-in | -67.79, -51.04 | 79.66, -6.4 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8362 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -123.94, 160.1 | APE9-dihe-na | 133.16, -172.19 | APE8-dihe-in | -114.51, 114.26 | APE8-rot-in | 307.76 | APE67-dihe-in | -62.14, -15.82 | -42.97, -50.29 | APE12-dist-in | 9.8576 | APE11-dist-in | 11.8526 | APE10-dist-in | 6.3769 | APE9-dist-in | 3.6866 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 1.88 | 0.204 | 0.228 | D | 308.0 | 286.0 | 9 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 9r9g | TKL_IRAK4_HUMAN | TKL | 4.4e-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 | 9R9GA | Q9NWZ3 | 163 | 458 | 460.0 | Y9T:501 | Type1 | Inactive | DFGin | 6.948 | 14.2471 | BLAminus | -130.74, 175.0 | 63.76, 86.61 | -108.65, 17.69 | 308.07, 98.94 | -62.62, -29.22 | in-out | in | 8.7339 | Saltbr-out | 4.8435 | HRD-in | -68.25, -50.26 | 77.88, -4.02 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8599 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -123.63, 160.85 | APE9-dihe-na | 132.15, -171.04 | APE8-dihe-in | -115.27, 115.04 | APE8-rot-in | 308.73 | APE67-dihe-in | -62.64, -15.32 | -49.18, -44.92 | APE12-dist-in | 9.8967 | APE11-dist-in | 11.8568 | APE10-dist-in | 6.4089 | APE9-dist-in | 3.6889 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 1.88 | 0.204 | 0.228 | A | 308.0 | 286.0 | 10 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 9r9g | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.4e-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 | 9R9GB | Q9NWZ3 | 163 | 458 | 460.0 | Y9T:501 | Type1 | Inactive | DFGin | 6.9319 | 14.2655 | BLAminus | -125.04, 172.39 | 63.91, 85.11 | -106.57, 17.26 | 306.3, 94.34 | -62.58, -32.77 | in-out | in | 8.6918 | Saltbr-out | 4.0108 | HRD-in | -67.99, -51.01 | 79.32, -6.48 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8491 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -122.63, 159.54 | APE9-dihe-na | 133.41, -171.38 | APE8-dihe-in | -115.54, 114.65 | APE8-rot-in | 308.5 | APE67-dihe-in | -62.16, -14.91 | -45.99, -48.35 | APE12-dist-in | 9.9025 | APE11-dist-in | 11.9461 | APE10-dist-in | 6.482 | APE9-dist-in | 3.7204 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 1.88 | 0.204 | 0.228 | B | 308.0 | 286.0 | 10 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 9r9g | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.4e-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 | 9R9GC | Q9NWZ3 | 164 | 458 | 460.0 | Y9T:501 | Type1 | Inactive | DFGin | 7.0674 | 14.0996 | BLAminus | -129.01, 170.18 | 68.19, 86.48 | -108.0, 15.16 | 307.09, 99.37 | -62.89, -29.47 | in-out | in | 8.5991 | Saltbr-out | 4.7702 | HRD-in | -67.95, -50.9 | 79.35, -5.74 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8497 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -125.34, 160.8 | APE9-dihe-na | 132.4, -171.76 | APE8-dihe-in | -114.85, 114.71 | APE8-rot-in | 307.49 | APE67-dihe-in | -61.59, -16.4 | -48.9, -45.19 | APE12-dist-in | 9.893 | APE11-dist-in | 11.8233 | APE10-dist-in | 6.3745 | APE9-dist-in | 3.6951 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 1.88 | 0.204 | 0.228 | C | 308.0 | 286.0 | 9 | 30 | 25 | 5 | [[183, 456]] | 1.0 | 9r9g | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.4e-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 | 9R9GD | Q9NWZ3 | 164 | 458 | 460.0 | Y9T:501 | Type1 | Inactive | DFGin | 7.0205 | 13.9212 | BLAminus | -128.78, 173.52 | 64.74, 84.24 | -108.04, 17.03 | 309.57, 97.28 | -63.17, -27.35 | in-out | in | 8.6739 | Saltbr-out | 5.7794 | HRD-in | -67.79, -51.04 | 79.66, -6.4 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8362 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -123.94, 160.1 | APE9-dihe-na | 133.16, -172.19 | APE8-dihe-in | -114.51, 114.26 | APE8-rot-in | 307.76 | APE67-dihe-in | -62.14, -15.82 | -42.97, -50.29 | APE12-dist-in | 9.8576 | APE11-dist-in | 11.8526 | APE10-dist-in | 6.3769 | APE9-dist-in | 3.6866 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 1.88 | 0.204 | 0.228 | D | 308.0 | 286.0 | 9 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 9r9g | Homo sapiens | TKL_IRAK4_HUMAN | TKL | 4.4e-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 |
|---|