| 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 | 6O8UA | Q9NWZ3 | 164 | 458 | 460.0 | LS7:501 | Type1 | Inactive | DFGin | 6.8496 | 13.9237 | BLAminus | -130.69, 173.07 | 63.01, 86.37 | -108.36, 22.19 | 311.43, 95.51 | -64.92, -32.76 | in-out | in | 8.7449 | Saltbr-out | 5.5857 | HRD-in | -75.11, -49.45 | 74.88, -0.72 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8137 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -124.91, 157.66 | APE9-dihe-na | 128.13, 175.66 | APE8-dihe-in | -101.58, 115.34 | APE8-rot-in | 306.32 | APE67-dihe-in | -62.48, -19.12 | -53.1, -39.45 | APE12-dist-in | 10.265 | APE11-dist-in | 11.8986 | APE10-dist-in | 6.3917 | APE9-dist-in | 3.9382 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 1.8 | 0.232 | 0.255 | A | 305.0 | 283.0 | 12 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 6o8u | 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 | 6O8UB | Q9NWZ3 | 160 | 458 | 460.0 | LS7:501 | Type1 | Inactive | DFGin | 6.7464 | 14.3255 | BLAminus | -126.54, 176.56 | 64.22, 88.45 | -115.23, 24.91 | 305.83, 84.08 | -70.08, -44.03 | in-out | in | 8.8874 | Saltbr-out | 4.6625 | HRD-in | -67.93, -50.14 | 73.94, 8.33 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8827 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.94, 156.88 | APE9-dihe-na | 130.39, -170.17 | APE8-dihe-in | -111.3, 117.6 | APE8-rot-in | 309.78 | APE67-dihe-in | -67.89, -15.82 | -48.54, -45.93 | APE12-dist-in | 10.4025 | APE11-dist-in | 11.9103 | APE10-dist-in | 6.5663 | APE9-dist-in | 4.1608 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 1.8 | 0.232 | 0.255 | B | 305.0 | 286.0 | 13 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 6o8u | 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 | 6O8UC | Q9NWZ3 | 163 | 458 | 460.0 | LS7:501 | Type1 | Inactive | DFGin | 6.7864 | 13.9031 | BLAminus | -128.29, 176.07 | 64.24, 85.11 | -109.32, 20.81 | 312.79, 96.26 | -63.76, -35.39 | in-out | in | 8.9621 | Saltbr-out | 5.2152 | HRD-in | -75.57, -52.02 | 75.43, 8.91 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8058 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -130.09, 151.89 | APE9-dihe-na | 134.27, -175.85 | APE8-dihe-in | -100.31, 112.85 | APE8-rot-in | 307.74 | APE67-dihe-in | -64.12, -18.09 | -55.7, -37.12 | APE12-dist-in | 9.9208 | APE11-dist-in | 12.0749 | APE10-dist-in | 7.1277 | APE9-dist-in | 4.8131 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 1.8 | 0.232 | 0.255 | C | 305.0 | 292.0 | 4 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 6o8u | 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 | 6O8UD | Q9NWZ3 | 162 | 458 | 460.0 | LS7:501 | Type1 | Inactive | DFGin | 6.6865 | 13.956 | BLAminus | -123.57, 176.25 | 66.06, 85.61 | -109.09, 18.14 | 308.14, 93.15 | -62.5, -37.48 | in-out | in | 9.0392 | Saltbr-out | 4.9797 | HRD-in | -73.18, -49.75 | 72.94, 10.03 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8474 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -137.37, 151.31 | APE9-dihe-na | 137.68, -175.61 | APE8-dihe-in | -104.71, 113.88 | APE8-rot-in | 306.99 | APE67-dihe-in | -63.19, -22.97 | -60.18, -27.94 | APE12-dist-in | 9.9588 | APE11-dist-in | 11.8343 | APE10-dist-in | 6.9077 | APE9-dist-in | 4.6584 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 1.8 | 0.232 | 0.255 | D | 305.0 | 290.0 | 7 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 6o8u | 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 | 6O8UA | Q9NWZ3 | 164 | 458 | 460.0 | LS7:501 | Type1 | Inactive | DFGin | 6.8496 | 13.9237 | BLAminus | -130.69, 173.07 | 63.01, 86.37 | -108.36, 22.19 | 311.43, 95.51 | -64.92, -32.76 | in-out | in | 8.7449 | Saltbr-out | 5.5857 | HRD-in | -75.11, -49.45 | 74.88, -0.72 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8137 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -124.91, 157.66 | APE9-dihe-na | 128.13, 175.66 | APE8-dihe-in | -101.58, 115.34 | APE8-rot-in | 306.32 | APE67-dihe-in | -62.48, -19.12 | -53.1, -39.45 | APE12-dist-in | 10.265 | APE11-dist-in | 11.8986 | APE10-dist-in | 6.3917 | APE9-dist-in | 3.9382 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 1.8 | 0.232 | 0.255 | A | 305.0 | 283.0 | 12 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 6o8u | 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 | 6O8UB | Q9NWZ3 | 160 | 458 | 460.0 | LS7:501 | Type1 | Inactive | DFGin | 6.7464 | 14.3255 | BLAminus | -126.54, 176.56 | 64.22, 88.45 | -115.23, 24.91 | 305.83, 84.08 | -70.08, -44.03 | in-out | in | 8.8874 | Saltbr-out | 4.6625 | HRD-in | -67.93, -50.14 | 73.94, 8.33 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8827 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -131.94, 156.88 | APE9-dihe-na | 130.39, -170.17 | APE8-dihe-in | -111.3, 117.6 | APE8-rot-in | 309.78 | APE67-dihe-in | -67.89, -15.82 | -48.54, -45.93 | APE12-dist-in | 10.4025 | APE11-dist-in | 11.9103 | APE10-dist-in | 6.5663 | APE9-dist-in | 4.1608 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 1.8 | 0.232 | 0.255 | B | 305.0 | 286.0 | 13 | 30 | 23 | 7 | [[183, 456]] | 1.0 | 6o8u | 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 | 6O8UC | Q9NWZ3 | 163 | 458 | 460.0 | LS7:501 | Type1 | Inactive | DFGin | 6.7864 | 13.9031 | BLAminus | -128.29, 176.07 | 64.24, 85.11 | -109.32, 20.81 | 312.79, 96.26 | -63.76, -35.39 | in-out | in | 8.9621 | Saltbr-out | 5.2152 | HRD-in | -75.57, -52.02 | 75.43, 8.91 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8058 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -130.09, 151.89 | APE9-dihe-na | 134.27, -175.85 | APE8-dihe-in | -100.31, 112.85 | APE8-rot-in | 307.74 | APE67-dihe-in | -64.12, -18.09 | -55.7, -37.12 | APE12-dist-in | 9.9208 | APE11-dist-in | 12.0749 | APE10-dist-in | 7.1277 | APE9-dist-in | 4.8131 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 1.8 | 0.232 | 0.255 | C | 305.0 | 292.0 | 4 | 30 | 26 | 4 | [[183, 456]] | 1.0 | 6o8u | 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 | 6O8UD | Q9NWZ3 | 162 | 458 | 460.0 | LS7:501 | Type1 | Inactive | DFGin | 6.6865 | 13.956 | BLAminus | -123.57, 176.25 | 66.06, 85.61 | -109.09, 18.14 | 308.14, 93.15 | -62.5, -37.48 | in-out | in | 9.0392 | Saltbr-out | 4.9797 | HRD-in | -73.18, -49.75 | 72.94, 10.03 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8474 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -137.37, 151.31 | APE9-dihe-na | 137.68, -175.61 | APE8-dihe-in | -104.71, 113.88 | APE8-rot-in | 306.99 | APE67-dihe-in | -63.19, -22.97 | -60.18, -27.94 | APE12-dist-in | 9.9588 | APE11-dist-in | 11.8343 | APE10-dist-in | 6.9077 | APE9-dist-in | 4.6584 | None | TPO345,SEP346 | TPO345,SEP346 | XRAY | 1.8 | 0.232 | 0.255 | D | 305.0 | 290.0 | 7 | 30 | 24 | 6 | [[183, 456]] | 1.0 | 6o8u | 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 |
|---|